2024/07/18 更新

写真a

フジイ マサアキ
藤井 正明
Masaaki Fujii
所属
研究開発機構 機構教授
連絡先
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外部リンク

学位

  • 理学博士 ( 東北大学 )

学歴

  • 1985年3月
     

    東北大学   理学研究科   化学専攻   博士後期   その他

経歴

  • 2023年4月 - 現在

    東京工業大学   科学技術創成研究院 化学生命科学研究所   所長

  • 2022年4月 - 現在

    東京工業大学 科学技術創成研究院 副研究院長(国際)併任

  • 2016年4月 - 現在

    東京工業大学   科学技術創成研究院 化学生命科学研究所(改組)   教授

  • 2003年4月 - 2016年3月

    東京工業大学 資源化学研究所 教授

  • 1999年4月 - 2003年3月

    岡崎国立共同研究機構 分子科学研究所分子制御レーザー開発研究センター センター長(兼任)

  • 1997年4月 - 2003年3月

    :岡崎国立共同研究機構 分子科学研究所 教授

  • 1999年 - 2003年

    :Okazaki National Research Institutes Institutes for Molecular Science, Laser Reserch Center for Molecular Science Director

  • 1997年 - 2003年

    :Okazaki National Research Institutes Institutes for Molecular Science Professor

  • 2003年 -  

    -:Tokyo Institute of Technology Chemical Resources Laboratory Professor

  • 1993年4月 - 1997年3月

    早稲田大学 理工学部 助教授

  • 1993年 - 1997年

    :Waseda University School of Science and Engineering, Department of Chemistry Associate Professor

  • 1993年 - 1996年

    :Japan Science and Technology Coorporation PREST researcher

  • 1993年 - 1996年

    :科学技術振興事業団 さきがけ研究21「光と物質」領域 研究員(兼任)

  • 1985年4月 - 1993年3月

    東北大学 理学部文部教官 助手

  • 1985年 - 1993年

    :Tohoku University Faculty of Science, Department of Chemistry Research Associate

  • 1988年7月 - 1988年11月

    米国コーネル大学化学科 日米科学技術創成研究院交流事業派遣研究員

▼全件表示

研究キーワード

  • Molecular Spectroscopy

  • Photochemistry

  • 分子分光学

  • 光化学

研究分野

  • ナノテク・材料 / 基礎物理化学

論文

  • The Gas Phase Protonation Sites of Six Naturally Occurring Nicotinoids

    Yuika Okura, Garrett D. Santis, Keisuke Hirata, Sotiris S. Xantheas, Masaaki Fujii, Shun-Ichi Ishiuchi

    The Journal of Physical Chemistry Letters   6966 - 6973   2024年6月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpclett.4c01206

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  • Affinity of Nicotinoids to a Model Nicotinic Acetylcholine Receptor (nAChR) Binding Pocket in the Human Brain

    Garrett D. Santis, Yuika Okura, Keisuke Hirata, Shun-Ichi Ishiuchi, Masaaki Fujii, Sotiris S. Xantheas

    The Journal of Physical Chemistry B   2024年5月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpcb.3c07919

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  • Switching of Protonation Sites in Hydrated Nicotine via a Grotthuss Mechanism

    Yuika Okura, Garrett D. Santis, Keisuke Hirata, Vasilios S. Melissas, Shun-ichi Ishiuchi, Masaaki Fujii, Sotiris S. Xantheas

    Journal of the American Chemical Society   2024年1月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/jacs.3c08922

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  • Conformational preference of 2-(4-methoxyphenyl)ethanol studied by supersonic jet spectroscopy: Intramolecular OH/π interaction

    Hironari Nagasawa, Sakuya Ogawa, Wataru Kashihara, Tasuku Isozaki, Keisuke Hirata, Shun-ichi Ishiuchi, Masaaki Fujii, Tadashi Suzuki

    The Journal of Chemical Physics   160 ( 2 )   2024年1月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:AIP Publishing  

    A π-type hydrogen bonding between the OH group and the π electron is a crucial factor for the conformational preference of the molecular structure with a flexible group. However, the information on the effect of the substituent on the OH/π interaction is insufficient. The laser-induced fluorescence (LIF) excitation, the dispersed fluorescence (DF), the IR–UV hole-burning, and the IR dip spectra of jet-cooled 2-(4-methoxyphenyl)ethanol were measured for the first time. Almost all bands observed in the spectral region of 35 550–36 500 cm−1 in the LIF excitation spectrum were successfully assigned with the DF and the IR–UV hole-burning spectra coupled with the quantum chemical calculation at M06-2x/6-311G and MP2/6-311G levels. Five conformers were found in the LIF excitation spectrum. The most stable conformer was Ggπ, and the second most stable conformer was Ggπ′ (the trans rotamer of the methoxy group for Ggπ). Ggπ and Ggπ′ had the OH group directed toward the π electron system of the benzene ring. The OH stretching frequency of Ggπ/Ggπ′ of MPE in the IR dip spectra was red-shifted against that of Ggπ of phenylethanol, indicating that the introduction of the methoxy group would enhance the intramolecular OH/π interaction. In addition, the torsional vibration between the benzene ring and the side chain (−CH2CH2OH) (mode 63) was observed in the DF spectra of the Ggπ–00 and Ggπ′–00 band excitation, but their intensities were rather different, resulting from the different orientation of the OH group for each conformer toward the π electron system. The methoxy group would increase the negative charge on the benzene ring and would enhance the intramolecular OH/π interaction through the electrostatic interaction.

    DOI: 10.1063/5.0184664

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  • Transition from vehicle to Grotthuss proton transfer in a nanosized flask: Cryogenic ion spectroscopy of protonated p-aminobenzoic acid solvated with D2O

    Keisuke Hirata, Kyota Akasaka, Otto Dopfer, Shun-ichi Ishiuchi, Masaaki Fujii

    Chemical Science   2024年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    Proton transfer (PT) is one of the most ubiquitous reactions in chemistry and life science. The unique nature of PT has been rationalized not by a transport of a solvated...

    DOI: 10.1039/d3sc05455a

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  • Infrared Spectra of Beauvericin-Alkaline Earth Metal Ion Complexes─Ion Preference to Physiological Ions

    Kien X. Vo, Keisuke Hirata, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    The Journal of Physical Chemistry A   2023年8月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpca.3c02783

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  • Does Chiral Sensitivity of a Structure Depend on the Metal Core? Alkali Ion Complexes of Cyclo(Tyr‐Tyr)

    Koki Yoshizawa, Keisuke Hirata, Shun-ichi Ishiuchi, Masaaki Fujii, Anne Zehnacker

    ChemPhysChem   2023年7月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Wiley  

    DOI: 10.1002/cphc.202300172

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  • Ion Recognition beyond Size Matching: Cooperative Hydration Effect on the K+ Selectivity of Valinomycin over Na+ Revealed by Cryogenic Double Ion Trap Infrared Spectroscopy

    Keisuke Hirata, Eiko Sato, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    The Journal of Physical Chemistry Letters   14 ( 24 )   5567 - 5572   2023年6月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpclett.3c01030

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  • Can Ag+ Permeate through a Potassium Ion Channel? A Bottom-Up Approach by Infrared Spectroscopy of the Ag+ Complex with the Partial Peptide of a Selectivity Filter

    Satoru Tanabe, Keisuke Hirata, Koichi Tsukiyama, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    The Journal of Physical Chemistry Letters   2886 - 2890   2023年3月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpclett.2c03366

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  • Thermodynamics and kinetics of a partial peptide of K+ channels: DFT transition state calculations coupled with temperature-controlled gas phase laser spectroscopy

    Yukina Suzuki, Keisuke Hirata, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    Bulletin of the Chemical Society of Japan   2023年2月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:The Chemical Society of Japan  

    DOI: 10.1246/bcsj.20220345

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  • Similarity scores of vibrational spectra reveal the atomistic structure of pentapeptides in multiple basins

    Hiroki Otaki, Shun-ichi Ishiuchi, Masaaki Fujii, Yuji Sugita, Kiyoshi Yagi

    ChemRxiv   10.26434/chemrxiv-2023-qn9rc   2023年2月

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    記述言語:英語  

    DOI: 10.26434/chemrxiv-2023-qn9rc

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  • Stepwise hydration of [CH3COOMg]+ studied by cold ion trap infrared spectroscopy: insights into interactions in the magnesium channel selection filters

    Hikaru Takayanagi, jean-xavier bardaud, Keisuke Hirata, Valerie Brenner, Eric Gloaguen, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   2023年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    The magnesium channel controls Mg2+ concentration in the cell and plays an indispensable role in biological functions. The crystal structure of the Magnesium Transport E channel suggested that Mg2+ hydrated...

    DOI: 10.1039/d3cp00992k

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  • Na+ Selective Binding by Beauvericin and Its Mechanism Studied by Mass-Coupled Cold Ion Trap Infrared Spectroscopy

    Kien X. Vo, Keisuke Hirata, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    The Journal of Physical Chemistry Letters   11330 - 11334   2022年12月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpclett.2c02814

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  • Ultraviolet and infrared spectra of mono-, di- and tri-hydrated clusters of protonated noradrenaline – Solvation and conformational variations

    Keisuke Yamaguchi, Keisuke Hirata, Shun-ichi Ishiuchi, Masaaki Fujii

    Chemical Physics Letters   806   140014 - 140014   2022年11月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Elsevier BV  

    DOI: 10.1016/j.cplett.2022.140014

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  • Conformer‐selective Photodynamics of TrpH+‐H2O

    Franco Molina, Jordan Dezalay, Jun-ichi Tabata, Satchin Soorkia, Michel Broquier, Keisuke Hirata, Shun-Ichi Ishiuchi, Masaaki Fujii, Gilles Grégoire

    ChemPhysChem   2022年9月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Wiley  

    DOI: 10.1002/cphc.202200561

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  • Do Stereochemical Effects Overcome a Charge-Induced Perturbation in Isolated Protonated Cyclo(Tyr-Tyr)?

    Koki Yoshizawa, Keisuke Hirata, Shun-Ichi Ishiuchi, Masaaki Fujii, Anne Zehnacker

    The Journal of Physical Chemistry A   126 ( 37 )   6387 - 6394   2022年9月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpca.2c03789

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  • Structure of Gas Phase Monohydrated Nicotine: Implications for Nicotine’s Native Structure in the Acetylcholine Binding Protein

    Garrett D. Santis, Naoya Takeda, Keisuke Hirata, Kazuya Tsuruta, Shun-ichi Ishiuchi, Sotiris S. Xantheas, Masaaki Fujii

    Journal of the American Chemical Society   2022年8月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/jacs.2c04064

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  • Excited state dynamics of protonated dopamine: Hydration and conformation effects 査読

    Keisuke Hirata, Ken-ichi Kasai, Koki Yoshizawa, Gilles Gregoire, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   24 ( 18 )   10737 - 10744   2022年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/D2CP00543C

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  • Gas phase protonated nicotine is a mixture of pyridine- and pyrrolidine-protonated conformers: implications for its native structure in the nicotinic acetylcholine receptor

    Naoya Takeda, Keisuke Hirata, Kazuya Tsuruta, Garrett D. Santis, Sotiris S. Xantheas, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   24 ( 10 )   5786 - 5793   2022年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    The infrared (IR) spectra of gas phase protonated nicotine has been measured in the never-before probed N–H “fingerprint region” (3200–3500 cm−1).

    DOI: 10.1039/d1cp05175j

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  • Cation-responsive cavity expansion of valinomycin revealed by cryogenic ion trap infrared spectroscopy

    Keisuke Hirata, Eiko Sato, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   2022年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    Valinomycin (VM) is a natural K+-selective ionophore that transports K+ through the cell membrane. VM captures K+ in its central cavity with a C3-symmetric β-turn-like backbone. Although the binding affinity...

    DOI: 10.1039/d2cp04570b

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  • Hydration-induced protomer switching in p-aminobenzoic acid studied by cold double ion trap infrared spectroscopy

    Kyota Akasaka, Keisuke Hirata, Fuad Haddad, Otto Dopfer, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   2022年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    Para-aminobenzoic acid (PABA) is a benchmark molecule to study solvent-induced proton site switching. Protonation of the carboxy and amino groups of PABA generates O- and N-protomers of PABAH+, respectively. Ion...

    DOI: 10.1039/d2cp04497h

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  • Collision-assisted stripping for determination of microsolvation-dependent protonation sites in hydrated clusters by cryogenic ion trap infrared spectroscopy: the case of benzocaineH+(H2O)n

    Keisuke Hirata, Fuad Haddad, Otto Dopfer, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   24 ( 10 )   5774 - 5779   2022年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    Protonation sites in hydrated clusters can be clearly determined by CAS-IRPD (collision-assisted stripping infrared photodissociation) spectroscopy as shown for the example of hydrated protonated benzocaine.

    DOI: 10.1039/d1cp05762f

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  • A Bottom-up approach to the ion recognition mechanism of K+ channels from the laser spectroscopy of hydrated partial peptide - alkali metal ion complexes

    Yukina Suzuki, Keisuke Hirata, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   2022年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    K+ channels allow selective permeation of K+, but not physiologically abundant Na+, at almost diffusion limit rates. The conduction mechanism of K+ channels is still controversial, with experimental and computation...

    DOI: 10.1039/d2cp01667b

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  • Distribution of trace impurities in microvolumes and analysis of concentration using laser sputtered neutral mass spectrometry

    Haruko Akutsu, Reiko Saito, Jun Asakawa, Kei Kiyokawa, Masato Morita, Tetsuo Sakamoto, Masaaki Fujii

    Journal of Vacuum Science and Technology B: Nanotechnology and Microelectronics   39 ( 6 )   2021年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AVS Science and Technology Society  

    The performance of semiconductor devices has been improved by the miniaturization and the adoption of various materials. Together with this improvement, it has become difficult to measure the amount of injected impurities to control the electrical conductivity under the three-dimensional microstructure. As the volume decreases, the lower limit of the concentration that can be defined increases. In a 10-nm cubic region of silicon, there are approximately 64 000 atoms. One atom is approximately 16 ppm, and concentrations below that level cannot be defined. The limitation on the measurement accuracy of the PN junction position becomes unclear. Generally, the electrical characteristics of a semiconductor device are determined by the position of the PN junction and the concentrations in the P and N regions. In this paper, we elucidate the interface state of a minute PN junction. Based on the above, we will examine the lowest extent to which the concentration of impurities can be measured in a microvolume, with the current physical analysis technology, assuming ideal measurement conditions without any disturbance. Finally, we measure the sensitivity improvement of mass spectrometry using postionization technology with a femtosecond pulse infrared laser and demonstrate that it is possible to improve the performance of the impurity measurement.

    DOI: 10.1116/6.0001244

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  • Hydration-controlled excited-state relaxation in protonated dopamine studied by cryogenic ion spectroscopy

    Keisuke Hirata, Ken-ichi Kasai, Gilles Grégoire, Shun-ichi Ishiuchi, Masaaki Fujii

    The Journal of Chemical Physics   155 ( 15 )   151101 - 151101   2021年10月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:AIP Publishing  

    DOI: 10.1063/5.0066919

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  • Double Ion Trap Laser Spectroscopy of Alkali Metal Ion Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels—Temperature Effect and Barrier for Conformational Conversions

    Yukina Suzuki, Keisuke Hirata, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    The Journal of Physical Chemistry A   2021年10月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpca.1c06440

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  • Rethinking Ion Transport by Ionophores: Experimental and Computational Investigation of Single Water Hydration in Valinomycin-K+ Complexes

    Eiko Sato, Keisuke Hirata, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    The Journal of Physical Chemistry Letters   1754 - 1758   2021年2月

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society (ACS)  

    DOI: 10.1021/acs.jpclett.0c03372

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  • Potassium and Sodium Ions Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels Studied by Cold Ion Trap Infrared Spectroscopy: Effect of Hydration

    Takumi Negoro, Keisuke Hirata, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    Physical Chemistry Chemical Physics   2021年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    <p>Potassium channels allow K+ to rapidly diffuse, while the selectivity filter (SF) actively blocks Na+. The presence of water in the SF during ion translocation remains under debate due the...</p>

    DOI: 10.1039/d1cp00936b

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  • Revealing the role of excited state proton transfer (ESPT) in excited state hydrogen transfer (ESHT): systematic study in phenol–(NH3)n clusters

    Christophe Jouvet, Mitsuhiko Miyazaki, Masaaki Fujii

    Chemical Science   12 ( 11 )   3836 - 3856   2021年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    <p>A general model of excited state hydrogen transfer (ESHT) which unifies ESHT and the excited state proton transfer (ESPT) is presented from experimental and theoretical works on phenol–(NH3)<italic>n</italic>. The hidden role of ESPT is revealed.</p>

    DOI: 10.1039/d0sc06877b

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  • IR super-resolution imaging of avian feather keratins detected by using vibrational sum-frequency generation. 国際誌

    Yukihisa Watase, Hirona Takahashi, Kohei Ushio, Masaaki Fujii, Makoto Sakai

    Biophysical chemistry   267   106482 - 106482   2020年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    IR super-resolution imaging of the cross section of the rachis of an avian feather was carried out by using a vibrational sum-frequency generation (VSFG) detected IR microscope with a sub-micrometer spatial resolution. In the YYX polarization combination, we clearly observed strong signals in the entire region of the rachis at the amide I vibration of β-keratin. On the other hand, the signal disappears from most of the cross section in the XXY polarization combination. Because the VSFG imaging detects the signal only from the interface, we conclude that the interfacial deflection inside of a rachis was detected.

    DOI: 10.1016/j.bpc.2020.106482

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  • Cryogenic Ion Spectroscopy of a Singly Protonated Peptide DYYVVR: Locating Phosphorylation Sites of a Kinase Domain

    Jang Han Kwon, Min Ji Lee, Gyeongok Song, Kazuya Tsuruta, Shun-Ichi Ishiuchi, Masaaki Fujii, Hyuk Kang

    Journal of Physical Chemistry Letters   11 ( 17 )   7103 - 7108   2020年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society  

    Cryogenic ion spectroscopy (CIS) was applied to singly protonated DYYVVR, a tryptic peptide that contains the two active tyrosine residues (Y980 and Y981) of the Janus kinase 3 (JAK3) kinase domain, together with its point mutants (Y980F and Y981F) and phosphorylated peptides (pY980, pY981, and pY980pY981). The two tyrosine chromophores showed distinguishable UV absorption bands at around 35 200 and 35 450 cm-1, respectively. By comparing with the point mutants, the lower electronic band was assigned to the absorption of Y981, and the higher one was assigned to Y980. When phosphorylated, the UV absorption of the phosphorylated chromophore shifts to higher energy above 36 500 cm-1 but the unphosphorylated chromophore gives the absorption in the same region. Conformer-specific IR spectroscopy and density functional theory (DFT) calculations were used to tentatively assign the structure of DYYVVR. Two conformations were found, where Y981 is solvated by the protonated side chain of arginine R984, and the orientation of the carboxylic OH of D979 was different between the two. It is demonstrated that CIS can be used to distinguish the two tyrosine chromophores and to locate the phosphorylation site of a kinase domain.

    DOI: 10.1021/acs.jpclett.0c01802

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  • Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

    Remina Otsuka, Keisuke Hirata, Yuta Sasaki, James M. Lisy, Shun-ichi Ishiuchi, Masaaki Fujii

    ChemPhysChem   21 ( 8 )   712 - 724   2020年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Wiley-VCH Verlag  

    The infrared (IR) spectra of alkali and alkaline earth metal ion complexes with the Ac-Tyr-NHMe (GYG) peptide have been measured by laser photodissociation in a cold ion trap coupled with an electrospray mass spectrometer. The GYG peptide corresponds to a portion of the ion selectivity filter in the KcsA K+ channel that allows K+ to pass, but blocks Na+ even though it has a smaller ionic radius than K+. This current study extends a previous investigation on Na+ and K+ to the entire set of alkali metaI ions and alkaline earth dications. IR-IR hole-burning (IR2 dip) spectroscopy has established the coexistence of several conformers of the GYG-metal ion complexes. The structures of the conformers were assigned by comparison between the isomer-selected IR spectra and theoretical IR spectra obtained from quantum chemical calculations. It was found that the structure of the dominant conformer correlates with the ability of the ion to permeate through the K+ channel.

    DOI: 10.1002/cphc.202000033

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  • Alkali and Alkaline Earth Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels Studied by a Cold Ion Trap Infrared Spectroscopy

    Remina Otsuka, Keisuke Hirata, Yuta Sasaki, James M. Lisy, Shun-Ichi Ishiuchi, Masaaki Fujii

    Chemphyschem : a European journal of chemical physics and physical chemistry   21 ( 8 )   687   2020年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:NLM (Medline)  

    The front cover artwork is provided by Takashi Tsujino (Science Graphics Co., Ltd.) . The image shows the efficacy of a bottom-up approach to ion selectivity of K+ channels. The GYG-K+ complex, which replicates the local portion of K+ channels, has three conformations with an equivalent distribution. Read the full text of the Article at 10.1002/cphc.202000033.

    DOI: 10.1002/cphc.202000246

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  • Improvement of ionization yield in sputtered neutral mass spectrometry using pulsed infrared and ultraviolet lasers 査読 国際誌

    Reiko Saito, Haruko Akutsu, Jun Asakawa, Yue Zhao, Kei Kiyokawa, Masato Morita, Tetsuo Sakamoto, Masaaki Fujii

    J. Vac. Sci. Technol. B   38 ( 3 )   034011   2020年4月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1116/6.0000088

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  • Excited-state proton transfer in protonated adrenaline revealed by cryogenic UV photodissociation spectroscopy 査読

    Jordan Dezalay, Michel Broquier, Satchin Soorkia, Keisuke Hirata, Shun-ichi Ishiuchi, Masaaki Fujii, Gilles Grégoire

    Physical Chemistry Chemical Physics   22 ( 20 )   11498 - 11507   2020年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    <p>Excited state proton transfer is the main non radiative deactivation process in protonated adrenaline.</p>

    DOI: 10.1039/d0cp01127d

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  • Excited state hydrogen transfer dynamics in phenol–(NH3)2 studied by picosecond UV-near IR-UV time-resolved spectroscopy

    Shun-ichi Ishiuchi, Junko Kamizori, Norihiro Tsuji, Makoto Sakai, Mitsuhiko Miyazaki, Claude Dedonder, Christophe Jouvet, Masaaki Fujii

    Physical Chemistry Chemical Physics   22 ( 10 )   5740 - 5748   2020年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    <p>Intersystem crossing from 1πσ* to 3πσ* states traps excited state hydrogen transfer reaction in a bound state formed by 3ππ* and 3πσ* states.</p>

    DOI: 10.1039/c9cp06369b

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  • Chiral discrimination between tyrosine and β-cyclodextrin revealed by cryogenic ion trap infrared spectroscopy

    Keisuke Hirata, Yuta Mori, Shun-ichi Ishiuchi, Masaaki Fujii, Anne Zehnacker

    Physical Chemistry Chemical Physics   2020年

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    掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry (RSC)  

    <p>Cryogenic ion trap infrared spectroscopy reveals that different binding motifs between the two enantiomers of protonated tyrosine and permethylated β-cyclodextrin result in chiral discrimination.</p>

    DOI: 10.1039/d0cp02968h

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  • Ionization-Induced π→H Site Switching in Resorcinol?Arn?(N = 1 and 2) Clusters Probed by Infrared Spectroscopy 査読

    Mitsuhiko Miyazaki, Kuntal Chatterjee, Kaori Hattori, Remina Otsuka, Shun-ichi Ishiuchi, Otto Dopfer, Masaaki Fujii

    The Journal of Physical Chemistry A   123 ( 32 )   6828 - 6839   2019年8月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1021/acs.jpca.9b04460

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  • Probing the selectivity of Li+ and Na+ cations on noradrenaline at the molecular level 査読

    Shun-ichi Ishiuchi, Hiromichi Wako, Sotiris S. Xantheas, Masaaki Fujii

    Faraday Discussions   217   396 - 413   2019年7月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/C8FD00186C

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  • Can the Partial Peptide SIVSF of the β2-Adrenergic Receptor Recognize Chirality of the Epinephrine Neurotransmitter? 査読

    Masato Tamura, Tsubasa Sekiguchi, Shun-ichi Ishiuchi, Anne Zehnacker-Rentien, Masaaki Fujii

    The Journal of Physical Chemistry Letters   10 ( 10 )   2470 - 2474   2019年5月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1021/acs.jpclett.9b00184

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  • Ion-peptide interactions between alkali metal ions and a termini-protected dipeptide; Modeling a portion of the selectivity filter in K+ channels 査読

    Shun-ichi Ishiuchi, Yuta Sasaki, James M. Lisy, Masaaki Fujii

    Physical Chemistry Chemical Physics   21 ( 2 )   561 - 571   2019年1月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/C8CP05839C

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  • Probing chirality recognition of protonated glutamic acid dimers by gas-phase vibrational spectroscopy and first-principles simulations 査読

    Johanna Klyne, Aude Bouchet, Shun-ichi Ishiuchi, Masaaki Fujii, Markus Schneider, Carsten Baldauf, Otto Dopfer

    Physical Chemistry Chemical Physics   20 ( 45 )   28452 - 28464   2018年12月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/C8CP05855E

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  • Electron-proton transfer mechanism of excited-state hydrogen transfer in phenol?(NH3)n (n?=?5) studied by delayed ionization detected femtosecond time-resolved NIR spectroscopy 査読

    Mitsuhiko Miyazaki, Nozomi Washio, Masaaki Fujii

    Chemical Physics   515   580 - 585   2018年11月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1016/j.chemphys.2018.08.004

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  • Entropic effects make a more tightly folded conformer of a β-amino acid less stable: UV-UV hole burning and IR dip spectroscopy of L-β3-homotryptophan using a laser desorption supersonic jet technique 査読

    Woon Yong Sohn, Jeong Jin Kim, Myeongwon Jeon, Takuma Aoki, Shun-ichi Ishiuchi, Masaaki Fujii, Hyuk Kang

    Physical Chemistry Chemical Physics   20 ( 30 )   19979 - 19986   2018年8月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/C8CP02106F

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  • Molecular Recognition by a Short Partial Peptide of the Adrenergic Receptor: A Bottom-Up Approach 査読

    Tsubasa Sekiguchi, Masato Tamura, Hikari Oba, Pierre Çarçarbal, Rolando Rafael Lozada-Garcia, Anne Zehnacker-Rentien, Gilles Grégoire, Shun-Ichi Ishiuchi, Masaaki Fujii

    Angewandte Chemie - International Edition   57 ( 20 )   5626 - 5629   2018年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Wiley-VCH Verlag  

    Receptor–neurotransmitter molecular recognition is key for neurotransmission. Although crystal structures of the receptors are known, the mechanism for recognition is not clear. Reported here is the ultraviolet (UV) and infrared (IR) spectra of complexes between a partial peptide (SIVSF), mimicking the binding motif of a catechol ring in the adrenergic receptor, and various ligands. The UV spectra show that two isomers coexist in the complex of SIVSF with properly recognized ligands, such as protonated adrenaline (adrenalineH+). From IR spectra, they are assigned to catechol- and amino-bound structures. The catechol-bound structure is not observed when the ligand is replaced by nonproper molecules, such as noradrenalineH+. The results suggest that SIVSF not only recognizes the catechol ring but can distinguish differences in the amine side chain. The method provides a new possibility for screening molecules as potential therapeutics for activating the receptor.

    DOI: 10.1002/anie.201712976

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  • Bevel depth profiling by high-spatial-resolution sputtered neutral mass spectrometry with laser postionization 査読

    Takahiro Kashiwagi, Satoru Nagashima, Takeharu Ishikawa, Akio Takano, Suet-Yi Liu, Hisataka Takenaka, Katsumi Endo, Masaaki Fujii

    Journal of Vacuum Science and Technology B: Nanotechnology and Microelectronics   36 ( 3 )   03F133-1 - 03F133-7   2018年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AVS Science and Technology Society  

    Secondary-ion mass spectrometry (SIMS) sputter depth profiling is used for the quantitative depth profile analysis of impurities. However, SIMS suffers from a large quantitative uncertainty and depth-scale uncertainty at the interfaces of heteromultilayers and in the near-surface region, because the secondary ion yield and sputtering yield are significantly influenced by matrix effects and accumulation effects of the primary ion. In this paper, the authors report on the development of a new depth profiling method with good depth-scale accuracy and low matrix effects to overcome these problems. This was achieved through the combination of high-spatial-resolution bevel depth profiling and sputtered neutral mass spectrometry with laser postionization (laser-SNMS). The sample used to evaluate this new bevel depth profiling method was a silicon on insulator wafer obtained using the separation by implantation of oxygen technique and implanted with boron. Depth profiles were obtained using both SIMS and laser-SNMS and evaluated by comparison with the stopping and range of ions in matter (SRIM) simulation. Although both methods afforded quite good depth resolutions, in SIMS the secondary ion signal intensity for boron was amplified by the influence of the matrix effect and showed a discontinuous profile shape at the interfaces, whereas the profile for boron obtained using laser-SNMS was consistent with the SRIM results and exhibited high continuity. By using a combination of the bevel depth profiling method and laser-SNMS method, it was confirmed that an easy-to-analyze depth profile could be obtained for the dopant concentration in multilayer samples, which is difficult to obtain using the conventional SIMS method.

    DOI: 10.1116/1.5019692

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  • Matrix and element dependences of useful yield in Si and SiO2 matrices using laser-ionization sputtered neutral mass spectrometry 査読

    Reiko Saito, Haruko Akutsu, Jun Asakawa, Shiro Takeno, Kei Kiyokawa, Satoru Nagashima, Takeharu Ishikawa, Takahiro Kashiwagi, Akio Takano, Tetsuo Sakamoto, Masaaki Fujii

    Journal of Vacuum Science and Technology B: Nanotechnology and Microelectronics   36 ( 3 )   03F128-1 - 03F128-5   2018年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AVS Science and Technology Society  

    The element and/or material dependence of the useful yield in laser-ionization sputtered neutral mass spectrometry (SNMS) using a high-photon-flux laser was investigated. Useful yields obtained from Si, B, As, and O in Si and SiO2 matrices using both secondary ion mass spectrometry (SIMS) and SNMS were compared, and the possibility of the accurate analysis of impurities in multilayers was investigated in terms of tunnel ionization. The behavior of atoms released from the surface by ion bombardment was calculated, and it was considered that the flying speed of sputtered atoms depends on the mass and that this causes the elemental difference in the fractions of laser-irradiated atoms. In the case of SNMS, excluding O, whose ionization probability is considered to be much lower than for the other elements, the useful yields of Si, B, and As are within 1 order of magnitude in both the Si and SiO2 matrices, and the difference between the matrices for each element is within a factor of two. These differences are much smaller than in the result of SIMS. It was confirmed that the distribution of B in a SiO2/Si stacked layer can be analyzed more accurately by SNMS than by SIMS. SNMS with a high-photon-density laser is considered to be effective for the analysis of more than one element in multilayers.

    DOI: 10.1116/1.5018092

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  • Cation-Size-Dependent Conformational Locking of Glutamic Acid by Alkali Ions: Infrared Photodissociation Spectroscopy of Cryogenic Ions 査読

    Johanna Klyne, Aude Bouchet, Shun-Ichi Ishiuchi, Masaaki Fujii, Otto Dopfer

    Journal of Physical Chemistry B   122 ( 8 )   2295 - 2306   2018年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:American Chemical Society  

    Consolidated knowledge of conformation and stability of amino acids and their clusters is required to understand their biochemical recognition. Often, alkali ions interact with amino acids and proteins. Herein, infrared photodissociation (IRPD) spectra of cryogenic metalated glutamic acid ions (GluM+, M = Li-Cs) are systematically analyzed in the isomer-specific fingerprint and XH stretch ranges (1100-1900, 2600-3600 cm-1) to provide a direct measure for cation-size-dependent conformational locking. GluM+ ions are generated by electrospray ionization and cooled down to 15 K in a cryogenic quadrupole ion trap. The assignment of the IRPD spectra is supported by density functional theory calculations at the dispersion-corrected B3LYP-D3/aug-cc-pVTZ level. In the global minimum of GluM+, the flexibility of Glu is strongly reduced by the formation of rigid ionic CO···M+···OC metal bridges, corresponding to charge solvation. The M+ binding energy decreases monotonically with increasing cation size from D0 = 314 to 119 kJ/mol for Li-Cs. Whereas for Li and Na only the global minimum of GluM+ is observed, for K-Cs at least three isomers exist at cryogenic temperature. The IRPD spectra of cold GluM+ ions are compared to IR multiple-photon dissociation spectra measured at room temperature. Furthermore, we elucidate the differences of the impact of protonation and metalation on the structure and conformational locking of Glu.

    DOI: 10.1021/acs.jpcb.7b12601

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  • Complex molecular systems: A frontier of molecular science 査読

    Tahei Tahara, Akio Kitao, Yasuhisa Mizutani, Hideki Kandori, Masaaki Fujii

    Physical Chemistry Chemical Physics   20 ( 5 )   2945 - 2946   2018年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry  

    DOI: 10.1039/c8cp90010h

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  • Sequential microhydration of cationic 5-hydroxyindole (5HI+): Infrared photodissociation spectra of 5HI+-W:N clusters (W = H2O, n ≤ 4) 査読

    Johanna Klyne, Mitsuhiko Miyazaki, Masaaki Fujii, Otto Dopfer

    Physical Chemistry Chemical Physics   20 ( 5 )   3092 - 3108   2018年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry  

    Most biochemical processes occur in aqueous solution. Here, we characterize the initial microhydration steps of the 5-hydroxyindole cation (5HI+) in its 2A′′ ground electronic state by infrared photodissociation (IRPD) spectroscopy of 5HI+-Wn-Lm clusters (W = H2O, L = Ar and N2, n ≤ 4, m ≤ 2) in a molecular beam and dispersion-corrected density functional theory calculations (B3LYP-D3/aug-cc-pVTZ). Characteristic size- and isomer-dependent XH stretch frequencies (X = O, N) of 5HI+-Wn reveal information about the preferred cluster growth and solvation energies. The IRPD spectrum of 5HI+-W is a superposition of the spectra of two isomers, in which W is H-bonded to the acidic NH or OH group, whereby OH⋯W hydrogen-bonds (H-bonds) are stronger than NH⋯W H-bonds. Spectra of larger 5HI+-Wn clusters (n ≥ 2) elucidate the competition between interior ion solvation and the formation of H-bonded water networks. The nature and strengths of the competing H-bonds are quantified by the noncovalent interaction approach. Comparison to results for neutral 5HI-W and 5HI+-Ln clusters with nonpolar ligands reveals the effects of ionization and ligand type on the intermolecular interaction potential and cluster growth. Comparison to corresponding microhydrated clusters of the phenol, indole, and pyrrole cations illustrates the effects of substitution of functional groups and addition of aromatic rings on the hydration process.

    DOI: 10.1039/c7cp06132c

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  • Stepwise microhydration of aromatic amide cations: Water solvation networks revealed by the infrared spectra of acetanilide+-(H2O)N clusters (n ≤ 3) 査読

    Johanna Klyne, Matthias Schmies, Mitsuhiko Miyazaki, Masaaki Fujii, Otto Dopfer

    Physical Chemistry Chemical Physics   20 ( 5 )   3148 - 3164   2018年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry  

    The structure and activity of peptides and proteins strongly rely on their charge state and the interaction with their hydration environment. Here, infrared photodissociation (IRPD) spectra of size-selected microhydrated clusters of cationic acetanilide (AA+, N-phenylacetamide), AA+-(H2O)n with n ≤ 3, are analysed by dispersion-corrected density functional theory calculations at the ωB97X-D/aug-cc-pVTZ level to determine the stepwise microhydration process of this aromatic peptide model. The IRPD spectra are recorded in the informative X-H stretch (νOH, νNH, νCH, amide A, 2800-3800 cm-1) and fingerprint (amide I-II, 1000-1900 cm-1) ranges to probe the preferred hydration motifs and the cluster growth. In the most stable AA+-(H2O)n structures, the H2O ligands solvate the acidic NH proton of the amide by forming a hydrogen-bonded solvent network, which strongly benefits from cooperative effects arising from the excess positive charge. Comparison with neutral AA-H2O reveals the strong impact of ionization on the acidity of the NH proton and the topology of the interaction potential. Comparison with related hydrated formanilide clusters demonstrates the influence of methylation of the amide group (H → CH3) on the shape of the intermolecular potential and the structure of the hydration shell.

    DOI: 10.1039/c7cp04659f

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  • A theoretical study on the size-dependence of ground-state proton transfer in phenol-ammonia clusters 査読

    Toshihiko Shimizu, Kenro Hashimoto, Masahiko Hada, Mitsuhiko Miyazaki, Masaaki Fujii

    Physical Chemistry Chemical Physics   20 ( 5 )   3265 - 3276   2018年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry  

    Geometries and infrared (IR) spectra in the mid-IR region of phenol-(ammonia)n (PhOH-(NH3)n) (n = 0-10) clusters have been studied using density functional theory (DFT) to investigate the critical number of solvent molecules necessary to promote ground-state proton transfer (GSPT). For n ≤ 8 clusters, the most stable isomer is a non-proton-transferred (non-PT) structure, and all isomers found within 1.5 kcal mol-1 from it are also non-PT structures. For n = 9, the most stable isomer is also a non-PT structure
    however, the second stable isomer is a PT structure, whose relative energy is within the experimental criterion of population (0.7 kcal mol-1). For n = 10, the PT structure is the most stable one. We can therefore estimate that the critical size of GSPT is n = 9. This is confirmed by the fact that these calculated IR spectra are in good accordance with our previous experimental results of mid-IR spectra. It is demonstrated that characteristic changes of the ν9a and ν12 bands in the skeletal vibrational region provide clear information that the GSPT reaction has occurred. It was also found that the shortest distance between the π-ring and the solvent moiety is a good indicator of the PT reaction.

    DOI: 10.1039/c7cp05247b

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  • Real-time observation of the photoionization-induced water rearrangement dynamics in the 5-hydroxyindole-water cluster by time-resolved IR spectroscopy 査読

    Mitsuhiko Miyazaki, Ayumi Naito, Takamasa Ikeda, Johanna Klyne, Kenji Sakota, Hiroshi Sekiya, Otto Dopfer, Masaaki Fujii

    Physical Chemistry Chemical Physics   20 ( 5 )   3079 - 3091   2018年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry  

    Solvation plays an essential role in controlling the mechanism and dynamics of chemical reactions in solution. The present study reveals that changes in the local solute-solvent interaction have a great impact on the timescale of solvent rearrangement dynamics. Time-resolved IR spectroscopy has been applied to a hydration rearrangement reaction in the monohydrated 5-hydroxyindole-water cluster induced by photoionization of the solute molecule. The water molecule changes the stable hydration site from the indolic NH site to the substituent OH site, both of which provide a strongly attractive potential for hydration. The rearrangement time constant amounts to 8 ± 2 ns, and is further slowed down by a factor of more than five at lower excess energy. These rearrangement times are slower by about three orders of magnitude than those reported for related systems where the water molecule is repelled from a repulsive part of the interaction potential toward an attractive well. The excess energy dependence of the time constant is well reproduced by RRKM theory. Differences in the reaction mechanism are discussed on the basis of energy relaxation dynamics.

    DOI: 10.1039/c7cp06127g

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  • Electron-Proton Transfer Mechanism of Excited-State Hydrogen Transfer in Phenol-(NH3)n (n=3 and 5) 査読

    Mitsuhiko Miyazaki, Ryuhei Ohara, Claude Dedonder, Christophe Jouvet, Masaaki Fujii

    Chemistry - A European Journal   24 ( 4 )   881 - 890   2018年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Wiley-VCH Verlag  

    Excited-state hydrogen transfer (ESHT) is responsible for various photochemical processes of aromatics, including photoprotection of nuclear basis. Its mechanism is explained by internal conversion from the aromatic ππ* to πσ* states via conical intersection. This means that the electron is transferred to a diffuse Rydberg-like σ* orbital apart from proton migration. This picture means the electron and the proton do not move together and the dynamics are different in principle. Here, we have applied picosecond time-resolved near-infrared (NIR) and infrared (IR) spectroscopy to the phenol-(NH3)5 cluster, the benchmark system of ESHT, and monitored the electron transfer and proton motion independently. The electron transfer monitored by the NIR transition rises within 3 ps, while the overall H transfer detected by the IR absorption of NH vibration appears with a lifetime of about 20 ps. This clearly proves that the electron motion and proton migration are decoupled. Such a difference of the time-evolutions between the NIR absorption and the IR transition has not been detected in a cluster with three ammonia molecules. We will report our full observation together with theoretical calculations of the potential energy surfaces of the ππ* and πσ* states, and will discuss the ESHT mechanism and its cluster size-dependence between n=3 and 5. It is suggested that the presence and absence of a barrier in the proton transfer coordinate cause the different dynamics.

    DOI: 10.1002/chem.201704129

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  • Stereochemistry-dependent structure of hydrogen-bonded protonated dimers: The case of 1-amino-2-indanol 査読

    Aude Bouchet, Johanna Klyne, Shun-Ichi Ishiuchi, Otto Dopfer, Masaaki Fujii, Anne Zehnacker

    Physical Chemistry Chemical Physics   20 ( 18 )   12430 - 12443   2018年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry  

    To understand the role of chirality in shaping biological supramolecular systems it is instructive to visualize the subtle effects of stereochemistry on the structure of model aggregates at the molecular level. Here, we apply conformer-specific IR-UV double-resonance laser spectroscopy in a cold ion trap to derive a detailed description of the protonated homodimers of (1R,2S)-cis- and (1R,2R)-trans-1-amino-2-indanol (c-AI2H+, t-AI2H+). Although the protonated monomers (c-AIH+, t-AIH+) only differ by the chirality of one carbon atom, their conformations are clearly distinct. c-AIH+ has an intramolecular NH+⋯O hydrogen bond (H-bond), while t-AIH+ lacks such an interaction. This has crucial consequences on the geometry and stability of the corresponding c-AI2H+ and t-AI2H+ dimers. While there is a competition between intra- and intermolecular H-bonds in c-AI2H+, the formation of t-AI2H+ does not require deformation of the monomers. This difference results in higher binding energies of t-AI2H+ compared to c-AI2H+. To optimize the H-bond network, the two dimers do not necessarily involve the corresponding most stable monomers. c-AI2H+ and t-AI2H+ differ in their UV photodissociation mass spectra and in their electronic spectra, which suggests different geometries also in the excited state.

    DOI: 10.1039/c8cp00787j

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  • A structural study on the excimer state of an isolated benzene dimer using infrared spectroscopy in the skeletal vibration region 査読

    Mitsuhiko Miyazaki, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 34 )   22759 - 22776   2017年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    We applied infrared (IR) spectroscopy on electronic excited states of a benzene dimer (Bz(2)) isolated in a supersonic expansion to investigate the vibrational structure and geometry of the excimer (EXC) state where the electronic excitation is equally shared between the two Bz units. The IR spectrum of an EXC produced via the electronic origin of Bz(2) gives a simpler spectral appearance than that in the electronic ground state, in which it has a T-shaped structure. Each band position locates nearly at the average of the corresponding vibrations in the electronic ground and excited states of the Bz monomer. This frequency averaging is explained by an excitation exchange model that takes into account vibrational excitations. From the observed frequency averaging, a highly symmetric parallel stacking structure in the EXC state is concluded with the help of a DFT calculation. This model clarifies that Franck-Condon factors between the S-1-S-0 transition of the monomer govern not only the magnitude of the EXC interaction, but also the configuration of vibrational states. The IR spectrum of the vibrationally excited EXC state produced by excitation to the 6(1) level of the stem site, on the other hand, shares the IR features both of the EXC state and the local excited (LE) state in which the excitation localizes on one of the benzene rings, making a T-shape contact. The structural interconversion equilibrium between parallel stacking (EXC) and T-shaped (LE) structures due to the vibrational excess energy has been established.

    DOI: 10.1039/c7cp03480f

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  • Deciphering environment effects in peptide bond solvation dynamics by experiment and theory 査読

    Matthias Wohlgemuth, Mitsuhiko Miyazaki, Kohei Tsukada, Martin Weiler, Otto Dopfer, Masaaki Fujii, Roland Mitric

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 33 )   22564 - 22572   2017年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Most proteins work in aqueous solution and the interaction with water strongly affects their structure and function. However, experimentally the motion of a specific single water molecule is difficult to trace by conventional methods, because they average over the heterogeneous solvation structure of bulk water surrounding the protein. Here, we provide a detailed atomistic picture of the water rearrangement dynamics around the -CONH- peptide linkage in the two model systems formanilide and acetanilide, which simply differ by the presence of a methyl group at the peptide linkage. The combination of pico-second pump-probe time-resolved infrared spectroscopy and molecular dynamics simulations demonstrates that the solvation dynamics at the molecular level is strongly influenced by this small structural difference. The effective timescales for solvent migration triggered by ionization are mainly controlled by the efficiency of the kinetic energy redistribution rather than the shape of the potential energy surface. This approach provides a fundamental understanding of protein hydration and may help to design functional molecules in solution with tailored properties.

    DOI: 10.1039/c7cp03992a

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  • A conformational study of protonated noradrenaline by UV-UV and IR dip double resonance laser spectroscopy combined with an electrospray and a cold ion trap method 査読

    Hiromichi Wako, Shun-ichi Ishiuchi, Daichi Kato, Geraldine Feraud, Claude Dedonder-Lardeux, Christophe Jouvet, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 17 )   10777 - 10785   2017年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The conformer-selected ultraviolet (UV) and infrared (IR) spectra of protonated noradrenaline were measured using an electrospray/cryogenic ion trap technique combined with photo-dissociation spectroscopy. By comparing the UV photo dissociation (UVPD) spectra with the UV-UV hole burning (HB) spectra, it was found that five conformers coexist under ultra-cold conditions. Based on the spectral features of the IR dip spectra of each conformer, two different conformations on the amine side chain were identified. Three conformers (group I) were assigned to folded and others (group II) to extended structures by comparing the observed IR spectra with the calculated ones. Observation of the significantly less-stable extended conformers strongly suggests that the extended structures are dominant in solution and are detected in the gas phase by kinetic trapping. The conformers in each group are assignable to rotamers of OH orientations in the catechol ring. By comparing the UV-UV HB spectra and the calculated Franck-Condon spectra obtained by harmonic vibrational analysis of the S-1 state, with the aid of relative stabilization energies of each conformer in the S-0 state, the absolute orientations of catechol OHs of the observed five conformers were successfully determined. It was found that the 0-0 transition of one folded conformer is red-shifted by about 1000 cm(-1) from the others. The significant red-shift was explained by a large contribution of the pi sigma* state to S-1 in the conformer in which an oxygen atom of the meta-OH group is close to the ammonium group.

    DOI: 10.1039/c6cp08426e

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  • Conformation of protonated glutamic acid at room and cryogenic temperatures 査読

    Aude Bouchet, Johanna Klyne, Shun-ichi Ishiuchi, Masaaki Fujii, Otto Dopfer

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   19 ( 17 )   10767 - 10776   2017年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Recognition properties of biologically relevant molecules depend on their conformation. Herein, the conformation of protonated glutamic acid (H(+)Glu) isolated in quadruple ion traps is characterized by vibrational spectroscopy at room and cryogenic temperatures and dispersion-corrected density functional theory calculations at the B3LYP-D3/aug-cc-pVTZ level. The infrared multiple photon dissociation (IRMPD) spectrum recorded in the fingerprint range at room temperature using an IR free electron laser is attributed to the two most stable and nearly isoenergetic conformations (1-cc and 2-cc) with roughly equal population (Delta G(298) = 0.0 kJ mol(-1)). Both have bridging C=O. . . (HNH)(+). . .O=C ionic H-bonds of rather different strengths but cannot be distinguished by their similar IRMPD spectra. In contrast, the higher-resolution single-photon IRPD spectrum of H-2-tagged H+ Glu recorded in the conformation-sensitive X-H stretch range in a trap held at 10 K distinguishes both conformers. At low temperature, 1-cc is roughly twice more abundant than 2-cc, in line with its slightly lower calculated energy (Delta E-0 = 0.5 kJ mol(-1)). This example illustrates the importance of cryogenic cooling, single-photon absorption conditions, and the consideration of the X-H stretch range for the identification of biomolecular conformations involving hydrogen bonds.

    DOI: 10.1039/c6cp08553a

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  • High-cooling-efficiency cryogenic quadrupole ion trap and UV-UV hole burning spectroscopy of protonated tyrosine 査読

    Shun-ichi Ishiuchi, Hiromichi Wako, Daichi Kato, Masaaki Fujii

    JOURNAL OF MOLECULAR SPECTROSCOPY   332   45 - 51   2017年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ACADEMIC PRESS INC ELSEVIER SCIENCE  

    The cooling efficiency of a cryogenic three-dimensional quadrupole ion trap (QIT) is drastically improved by using copper electrodes instead of conventional stainless-steel ones. The temperature of trapped ions (protonated tyrosine TyrH(+) was estimated based on the ultraviolet (UV) photo-dissociation spectra. The UV spectrum of TryH(+) shows almost no hot bands, and thus the high cooling efficiency of the copper ion trap was proven. The temperature was also estimated by simulating the observed band contour in the UV spectra, which is determined by the population in the rotationally excited levels. From the simulations, the temperature of TryH(+) was estimated to be similar to 13 K, while that in the stainless-steel QIT was 45-50 K. In addition, to demonstrate the advantage of the copper QIT, UV-UV hole burning (HB) spectra, i.e. conformation-selected UV spectra, were measured. It was confirmed that four different conformers, A similar to D, coexist in the ultra-cold protonated tyrosine. By comparing with the calculated Franck-Condon spectra, their structural assignments were discussed, including the orientation of the OH group. (C) 2016 Elsevier Inc. All rights reserved.

    DOI: 10.1016/j.jms.2016.10.011

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  • Anharmonic Vibrational Analyses of Pentapeptide Conformations Explored with Enhanced Sampling Simulations 査読

    Hiroki Otaki, Kiyoshi Yagi, Shun-ichi Ishiuchi, Masaaki Fujii, Yuji Sugita

    JOURNAL OF PHYSICAL CHEMISTRY B   120 ( 39 )   10199 - 10213   2016年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    An accurate theoretical prediction of the vibrational spectrum of polypeptides remains to be a challenge due to (1) their conformational flexibility and (2) non negligible anharmonic effects. The former makes the search for conformers that contribute to the spectrum difficult, and the latter requires an expensive, quantum mechanical calculation for both electrons and vibrations. Here, we propose a new theoretical approach, which implements an enhanced conformational sampling by the replica-exchange molecular dynamics method, a structural clustering to identify distinct conformations, and a vibrational structure calculation by the second-order vibrational quasi-degenerate perturbation theory (VQDPT2). A systematic mode-selection scheme is developed to reduce the cost of VQDPT2 and the generation of a potential energy surface by the electronic structure calculation. The proposed method is applied to a pentapeptide, SIVSF-NH2, for which the infrared spectrum has recently been measured in the gas phase with high resolution in the OH and NH stretching region. The theoretical spectrum of the lowest energy conformer is obtained with a mean absolute deviation of 11.2 cm(-1) from the experimental spectrum. Furthermore, the NH stretching frequencies of the five lowest energy conformers are found to be consistent with the literature values measured for small peptides with a similar secondary structure. Therefore, the proposed method is a promising way to analyze the vibrational spectrum of polypeptides.

    DOI: 10.1021/acs.jpcb.6b06672

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  • Gas phase ultraviolet and infrared spectroscopy on a partial peptide of β2-adrenoceptor SIVSF-NH2 by a laser desorption supersonic jet technique 査読

    Shun-ichi Ishiuchi, Kohei Yamada, Hikari Oba, Hiromichi Wako, Masaaki Fujii

    Physical Chemistry Chemical Physics   18 ( 33 )   23277 - 23284   2016年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/c6cp04196e

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  • Theoretical Study on the Size Dependence of Ground-State Proton Transfer in 1-Naphthol-Ammonia Clusters 査読

    Toshihiko Shimizu, Mitsuhiko Miyazaki, Masaaki Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   120 ( 36 )   7167 - 7174   2016年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The geometries of 1-naphthol-(ammonia)(n) (1-NpOH-(NH3)(n)) (n = 6-9) clusters have been calculated by using the density functional theory (DFT) to investigate ground-state proton transfer (GSPT). For n &lt;= 7 clusters, the most stable isomer is a non-proton-transferred (non-PT) structure, and isomers within 1.4 kcal/mol unstable from it were also non-PT structures. For n = 8 and 9, the most stable isomer is also a non-PT structure; however, the second stable isomer is the PT structure, of which the relative energy is within 0.5 kcal/mol. We therefore concluded that the threshold size of GSPT is n = 8 under the conventional experimental condition. It is also found that the minimal distance between the pi-ring and the solvent moiety is a good indicator of the PT reaction. This suggests that the solvation of the pi-ring is important to trigger the PT reaction.

    DOI: 10.1021/acs.jpca.6b07079

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  • Probing Solvation Dynamics around Aromatic and Biological Review Molecules at the Single-Molecular Level

    Otto Dopfer, Masaaki Fujii

    CHEMICAL REVIEWS   116 ( 9 )   5432 - 5463   2016年5月

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    記述言語:英語   出版者・発行元:AMER CHEMICAL SOC  

    Solvation processes play a crucial role in chemical reactions and biomolecular recognition phenomena. Although solvation dynamics of interfacial or biological water has been studied extensively in aqueous solution, the results are generally averaged over several solvation layers and the motion of individual solvent molecules:is difficult to capture. This review describes the development and application of a new experimental approach, namely, picosecond time-resolved pump-probe infrared spectroscopy of size- and isomer-selected aromatic clusters, in which for the first time the dynamics of a single individual solvent molecule can be followed in real time. The intermolecular isomerization reaction is triggered by resonant photoionization (pump), and infrared phatodissociation (probe) at variable delay generates the spectroscopic signature of salient properties of the reaction, including rates, yields, pathways; branching ratios of competing reactions, existence of reaction intermediates, occurrence of back reactions; and time scales of energy relaxation processes. It is shown that this relevant information can reliably be decoded from the experimental spectra by sophisticated molecular dynamics simulations. This review covers a description of the experimental strategies and spectroscopic methods along with all applications to date, which range from aromatic clusters with nonpolar solvent molecules to aromatic monohydrated biomolecule.

    DOI: 10.1021/acs.chemrev.5b00610

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  • Effective Strategy for Conformer-Selective Detection of Short-Lived Excited State Species: Application to the IR Spectroscopy of the N1H Keto Tautomer of Guanine 査読

    Hiroya Asami, Munefumi Tokugawa, Yoshiaki Masaki, Shun-ichi Ishiuchi, Eric Gloaguen, Kohji Seio, Hiroyuki Saigusa, Masaaki Fujii, Mitsuo Sekine, Michel Mons

    JOURNAL OF PHYSICAL CHEMISTRY A   120 ( 14 )   2179 - 2184   2016年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The ultrafast deactivation processes in the excited state of biomolecules, such as the most stable tautomers of guanine, forbid any state-of-the-art gas phase spectroscopic studies on these species with nanosecond lasers. This drawback can be overcome by grafting a chromophore having a long-lived excited state to the molecule of interest, allowing thus a mass-selective detection by nanosecond R2PI and therefore double resonance IR/UV conformer-selective spectroscopic studies. The principle is presently demonstrated on the keto form of a modified 9-methylguanine, for which the IR/UV double resonance spectrum in the C=O stretch region, reported for the first time, provides evidence for extensive vibrational couplings within the guanine moiety. Such a successful strategy opens up a route to mass-selective IR/UV spectroscopic investigations on molecules exhibiting natural chromophores having ultrashort-lived excited states, such as DNA bases, their complexes as well as peptides containing short-lived aromatic residues.

    DOI: 10.1021/acs.jpca.6b01194

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  • Structural motifs of 2-(2-fluoro-phenyl)-ethylamine conformers 査読

    Nitzan Mayorkas, Hanan Sachs, Markus Schuetz, Shun-ichi Ishiuchi, Masaaki Fujii, Otto Dopfer, Ilana Bar

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   18 ( 2 )   1191 - 1201   2016年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Vibronic and vibrational spectra of 2-(2-fluoro-phenyl)-ethylamine (2-FPEA) conformers were measured in a molecular beam by resonant two-photon ionization (R2PI), ultraviolet-ultraviolet hole burning (UV-UV HB) spectroscopy, and ionization-loss stimulated Raman spectroscopy (ILSRS). The measured ILSR spectral signatures in the survey spectra of the amino group region and in the broad spectral range revealed the presence of five different conformers, which were confirmed by the HB spectra. The determination of the structures of the conformers of 2-FPEA was assisted by quantum chemical calculations of the torsional potential energy surface and of the scaled harmonic Raman spectra. Comparison of the measured ILSR spectra with the calculated Raman spectra allowed us to identify one gauche structure with the ethylamino side chain folded toward the fluorine atom, two gauche structures with the ethylamino side chain folded to the opposite side and two anti conformers with extended tails. The effect of fluorination on the spectra and on the stability and structures of these species is discussed.

    DOI: 10.1039/c5cp06131h

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  • Photoionization-induced π ? H site switching dynamics in phenol+?Rg (Rg = Ar, Kr) dimers probed by picosecond time-resolved infrared spectroscopy 査読

    Mitsuhiko Miyazaki, Yuri Sakata, Markus Sch?tz, Otto Dopfer, Masaaki Fujii

    Physical Chemistry Chemical Physics   18 ( 35 )   24746 - 24754   2016年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/c6cp05016f

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  • Trapped Hydronium Radical Produced by Ultraviolet Excitation of Substituted Aromatic Molecule 査読

    Federico J. Hernandez, Marcela C. Capello, Ayumi Naito, Shun Manita, Kohei Tsukada, Mitsuhiko Miyazaki, Masaaki Fujii, Michel Broquier, Gilles Gregoire, Claude Dedonder-Lardeux, Christophe Jouvet, Gustavo A. Pino

    JOURNAL OF PHYSICAL CHEMISTRY A   119 ( 51 )   12730 - 12735   2015年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The gas phase structure and excited state dynamics of o-aminophenol-H2O complex have been investigated using REMPI, IR-UV hole-burning spectroscopy, and pump-probe experiments with picoseconds laser pulses. The IR-UV spectroscopy indicates that the isomer responsible for the excitation spectrum corresponds to an orientation of the OH band away from the NH2 group. The water molecule acts as H-bond acceptor of the OH group of the chromophore. The complexation of o-aminophenol with one water molecule induced all enhancement in the excited state lifetime on the band origin. The variation of the excited state lifetime of the complex with the excess energy from 1.4 +/- 0.1 ns for the 0-0 band to 0.24 +/- 0.3 ns for the band at 0-0 + 120 cm(-1) is very similar to the variation observed in the phenol-NH3 system. This experimental result suggests that the excited state hydrogen transfer reaction is the dominant channel for the non radiative pathway. Indeed, excited state ab initio calculations demonstrate that H transfer leading to the formation of the H3O center dot radical within the complex is the main reactive pathway.

    DOI: 10.1021/acs.jpca.5b10142

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  • Electron-Proton Decoupling in Excited-State Hydrogen Atom Transfer in the Gas Phase 査読

    Mitsuhiko Miyazaki, Ryuhei Ohara, Kota Daigoku, Kenro Hashimoto, Jonathan R. Woodward, Claude Dedonder, Christophe Jouvet, Masaaki Fujii

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   54 ( 50 )   15089 - 15093   2015年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:WILEY-V C H VERLAG GMBH  

    Hydrogen-release by photoexcitation, excited-state-hydrogen- transfer (ESHT), is one of the important photochemical processes that occur in aromatic acids and is responsible for photoprotection of biomolecules. The mechanism is described by conversion of the initial state to a charge-separated state along the O(N)-H bond elongation, leading to dissociation. Thus ESHT is not a simple H-atom transfer in which a proton and a 1s electron move together. Here we show that the electron-transfer and the proton-motion are decoupled in gas-phase ESHT. We monitor electron and proton transfer independently by picosecond time-resolved near-infrared and infrared spectroscopy for isolated phenol-(ammonia) 5, a benchmark molecular cluster. Electron transfer from phenol to ammonia occurred in less than 3 picoseconds, while the overall H-atom transfer took 15 picoseconds. The observed electron-proton decoupling will allow for a deeper understanding and control of of photochemistry in biomolecules.

    DOI: 10.1002/anie.201506467

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  • Spectroscopic study of jet-cooled indole-3-carbinol by laser desorption technique: Franck-Condon simulations and anharmonic calculations 査読

    Ahreum Ahn, Ahreum Min, Cheol Joo Moon, Ji Hoon Lee, Seung Jun Lee, Taichi Warashina, Shun-ichi Ishiuchi, Masaaki Fujii, Myong Yong Choi

    CHEMICAL PHYSICS LETTERS   638   237 - 243   2015年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The conformational structure of indole-3-carbinol (I3C) has been investigated in the gas phase for the first time using a laser desorption technique. A UV-UV hole-burning technique revealed the presence of a single conformer of I3C in the mass-selected resonant two-photon ionization spectrum. The assignment of the observed IR spectrum of I3C is inconclusive due to almost identically predicted IR frequencies of the two lowest energy conformers from harmonic calculations. A conclusive assignment for the conformer of I3C has been reported with an aid of performing anharmonic calculations and Franck-Condon simulations on the two lowest-energy conformers. (C) 2015 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.cplett.2015.08.063

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  • Theoretical Study on the Size Dependence of Excited State Proton Transfer in 1-Naphthol-Ammonia Clusters 査読

    Toshihiko Shimizu, Shunpei Yoshikawa, Kenro Hashimoto, Mitsuhiko Miyazaki, Masaaki Fujii

    JOURNAL OF PHYSICAL CHEMISTRY B   119 ( 6 )   2415 - 2424   2015年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The geometries and energetics of the ground and lower-lying singlet excited states S-0, L-a, and L-b of 1-naphthol (NpOH)(NH3)(n) (n = 05) clusters have been computed using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods. Cluster size dependence of the excited state proton transfer (ESPT) reaction was investigated by the vertical transitions from the geometries that can be populated in the molecular beam experiments. For the n = 3 and 4 clusters, the proton-transferred geometries cannot be accessible without significant geometrical rearrangement from the initially populated isomers. For the n = 5 clusters, the proton-transferred structure is found in the L-a excited state of the isomer that can be populated in the beam. Thus, ESPT is possible by the optically prepared L-b state via internal conversion to L-a. We concluded that the threshold cluster size of ESPT is n = 5 under the experimental condition with low excess energy.

    DOI: 10.1021/jp507222n

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  • Stepwise Microhydration of Aromatic Amide Cations: Formation of Water Solvation Network Revealed by Infrared Spectra of Formanilide(+)-(H2O)(n) Clusters (n &lt;= 5) 査読

    Johanna Klyne, Matthias Schmies, Masaaki Fujii, Otto Dopfer

    JOURNAL OF PHYSICAL CHEMISTRY B   119 ( 4 )   1388 - 1406   2015年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    Hydration of peptides and proteins has a strong impact on their structure and function. Infrared photodissociation spectra (IRPD) of size-selected clusters of the formanilide cation, FA(+)-(H2O)(n) (n=1-5), are analyzed by DFT calculations at the pi B97X D/aug-cc-pVTZ level to determine the sequential microhydration of this prototypical aromatic amide cation. IRPD spectra are recorded in the hydride stretch and fingerprint ranges to probe the preferred interaction motifs and the cluster growth. IRPD spectra of cold Ar-tagged clusters, FA(+)-(H2O)(n)-Ar, reveal the important effects of temperature and entropy on the observed hydration motifs. At low temperature, the energetically most stable isomers are prominent, while at higher temperature less stable but more flexible isomers become increasingly populated because of entropy. In the most stable structures, the H2O ligands form a hydrogen-bonded solvent network attached to the acidic NH proton of the amide, which is stabilized by large cooperative effects arising from the excess positive charge. In larger clusters, hydration bridges the gap between the NH and CO groups (n=4) solvating the amide group rather than the more positively charged phenyl ring. Comparison with neutral FA(+)-(H2O)(n) clusters reveals the strong impact of ionization on the acidity of the NH proton, the strength and topology of the interaction potential, and the structure of the hydration shell.

    DOI: 10.1021/jp511421h

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  • Mass analyzed threshold ionization detected infrared spectroscopy: isomerization activity of the phenol-Ar cluster near the ionization threshold 査読

    Mitsuhiko Miyazaki, Shunpei Yoshikawa, Francois Michels, Kentaro Misawa, Shun-ichi Ishiuchi, Makoto Sakai, Otto Dopfer, Klaus Mueller-Dethlefs, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   17 ( 4 )   2494 - 2503   2015年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The structure of the phenol-argon cluster (PhOH-Ar) in high-n Rydberg states is investigated by the newly developed technique of mass analyzed threshold ionization detected infrared (MATI-IR) spectroscopy. This method selectively measures IR spectra of molecular clusters in very high-n Rydberg states (n &gt; 100) utilized in zero kinetic energy (ZEKE) photoelectron and MATI spectroscopy, whose ionic cores are essentially the same as the corresponding bare cation. The MATI-IR spectrum exhibits only the free OH stretching vibration (V-OH(pi)) when the pi-bound cluster of the neutral ground electronic state (S-0) is resonantly excited via the S-1 origin to Rydberg states converging to its adiabatic ionization energy level, IE0(pi). When Rydberg states converging to vibrationally excited levels of the local p-bound minimum are prepared, in addition to V-OH(pi) also the hydrogen-bonded OH stretching vibration (V-OH(H)) of the H-bonded global minimum is observed in the MATI-IR spectra, even for vibrational excitation of only 14 cm(-1) above IE0(pi). These results show that the pi -&gt; H site switching reaction of the Ar ligand from the aromatic ring to the OH group proceeds only from vibrationally excited states in the p-bound cation core with a small barrier of less than 14 cm(-1) from IE0(pi). On the other hand, directly photoionized PhOH+-Ar shows both V-OH(H) and V-OH(pi) in the IR spectra, even when it is just ionized to IE0(pi). This result implies that the ionization-induced pi -&gt; H site switching occurs without excess energy in the H-bound or pi-bound cations, in contrast to very high-n Rydberg states converging to levels of the pi-bound cation. The different efficiencies of the site switching for the Rydberg ion core and the bare ion and the mechanism for the pi -&gt; H site switching are interpreted by direct ionization from the pi-bound to the H-bound structures in addition to the conventional vertical ionization and transitions to high-n Rydberg states.

    DOI: 10.1039/c4cp04584j

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  • Single water solvation dynamics in the 4-aminobenzonitrile-water cluster cation revealed by picosecond time-resolved infrared spectroscopy 査読

    Mitsuhiko Miyazaki, Takashi Nakamura, Matthias Wohlgemuth, Roland Mitric, Otto Dopfer, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   17 ( 44 )   29969 - 29977   2015年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The dynamics of a solvent is important for many chemical and biological processes. Here, the migration dynamics of a single water molecule is triggered by the photoionization of the 4-aminobenzonitrile-water (4ABN-W) cluster and monitored in real time by picosecond time-resolved IR (ps TRIR) spectroscopy. In the neutral cluster, water is hydrogen-bonded to the CN group. When this CN-bound cluster is selectively ionized with an excess energy of 1238 cm(-1), water migrates with a lifetime of tau = 17 ps from the CN to the NH2 group, forming a more stable 4ABN(+)-W(NH) isomer with a yield of unity. By decreasing the ionization excess energy, the yield of the CN -&gt; NH2 reaction is reduced. The relatively slow migration in comparison to the ionization-induced solvent dynamics in the related acetanilide-water cluster cation (tau = 5 ps) is discussed in terms of the internal excess energy after photoionization and the shape of the potential energy surface.

    DOI: 10.1039/c5cp05400a

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  • The mechanism of excited-state proton transfer in 1-naphthol-piperidine clusters 査読

    Toshihiko Shimizu, Shun Manita, Shunpei Yoshikawa, Kenro Hashimoto, Mitsuhiko Miyazaki, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   17 ( 38 )   25393 - 25402   2015年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The geometries of 1-naphthol-(piperidine)(n) (1-NpOH-(Pip)(n)) (n = 0-3) clusters have been calculated by using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) methods to investigate excited-state proton transfer (ESPT) in the low-lying singlet excited states, L-a and L-b. For the n = 1 cluster, no PT structure was found in L-b and L-a as well as the ground state, S-0. For n = 2, optically accessible Lb from S-0 shows the PT structure. We therefore concluded that the threshold size of ESPT is n = 2, which is consistent with previous experimental results. ESPT in 1-NpOH-(Pip)(n) is simply triggered by optical excitation to L-b. It is essentially different from the 1-NpOH-(NH3)(n) cluster in which an internal conversion process is required to promote ESPT. From the calculated structures, the importance of the solvation of the pi-ring is strongly suggested rather than the proton affinity in ESPT.

    DOI: 10.1039/c5cp03620h

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  • Real time observation of the excimer formation dynamics of a gas phase benzene dimer by picosecond pump-probe spectroscopy 査読

    Mitsuhiko Miyazaki, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   17 ( 39 )   25989 - 25997   2015年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    We observed the real-time excimer (EXC) formation dynamics of a gas phase benzene dimer (Bz(2)) cluster after photo-excitation to the S-1 state by applying an ionization detected picosecond transient absorption method for probing the visible EXC absorption for the first time. The time evolution of the EXC absorption from the S-1 0 degrees level shows a rise that is well fitted by a single exponential function with a time constant of 18 +/- 2 ps. The structure of the Bz dimer has a T-shaped structure in the ground electronic state, and that in the EXC state is a parallel sandwich (SW) structure. Thus, the observed rise time corresponds to the structural change from the T to the SW structures, which directly shows the EXC formation. On the other hand, the EXC formation after excitation of the S-1 6(1) vibrational level of the stem site showed a faster rise of the time constant of 10 +/- 2 ps. Supposing equilibrium between the EXC and the local excited states, it followed that the intramolecular vibrational energy redistribution rate of the 6(1) level is largely enhanced and becomes faster than the EXC formation reaction.

    DOI: 10.1039/c5cp03010b

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  • UV-UV hole burning and IR dip spectroscopy of homophenylalanine by laser desorption supersonic jet technique 査読

    Woon Yong Sohn, Shun-ichi Ishiuchi, Pierre Carcabal, Hikari Oba, Masaaki Fujii

    CHEMICAL PHYSICS   445   21 - 30   2014年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Conformer selected electronic and vibrational spectra of homophenylalanine, phenylalanine analogue molecule, were measured by UV-UV hole burning and IR dip spectroscopy combined with laser desorption technique. 10 conformers were found by UV-UV hole burning spectroscopy and their structures were assigned by IR dip and UV absorption spectra with aid of quantum chemical calculations in both S-0 and S-1. This study shows that the combination of simulated IR and UV spectra is powerful to assign flexible molecules. (C) 2014 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.chemphys.2014.10.012

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  • Microhydrated aromatic cluster cations: Binding motifs of 4-aminobenzonitrile-(H2O)(n) cluster cations with n &lt;= 4 査読

    Matthias Schmies, Mitsuhiko Miyazaki, Masaaki Fujii, Otto Dopfer

    JOURNAL OF CHEMICAL PHYSICS   141 ( 21 )   214301-1 - 214301-17   2014年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    Infrared photodissociation (IRPD) spectra of mass-selected 4-aminobenzonitrile-(water)(n) cluster cations, ABN(+)-(H2O) n with n &lt;= 4, recorded in the N-H and O-H stretch ranges are analyzed by quantum chemical calculations at the M06-2X/aug-cc-pVTZ level to determine the evolution of the initial microhydration process of this bifunctional aromatic cation in its ground electronic state. IRPD spectra of cold clusters tagged with Ar and N-2 display higher resolution and allow for a clear-cut structural assignment. The clusters are generated in an electron impact source, which generates predominantly the most stable isomers. The IRPD spectra are assigned to single isomers for n = 1-3. The preferred cluster growth begins with sequential hydration of the two acidic NH protons of the amino group (n = 1-2), which is followed by attachment of secondary H2O ligands hydrogen-bonded to the first-shell ligands (n = 3-4). These symmetric and branched structures are more stable than those with a cyclic H-bonded solvent network. Moreover, in the size range n = 4 the formation of a solvent network stabilized by strong cooperative effects is favored over interior ion hydration which is destabilized by noncooperative effects. The potential of the ABN(+)-H2O dimer is characterized in detail and supports the cluster growth derived from the IRPD spectra. Although the N-H bonds are destabilized by stepwise microhydration, which is accompanied by increasing charge transfer from ABN(+) to the solvent cluster, no proton transfer to the solvent is observed for n &lt;= 4. (C) 2014 AIP Publishing LLC.

    DOI: 10.1063/1.4901893

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  • Solvation Dynamics of a Single Water Molecule Probed by Infrared Spectra-Theory Meets Experiment 査読

    Matthias Wohlgemuth, Mitsuhiko Miyazaki, Martin Weiler, Makoto Sakai, Otto Dopfer, Masaaki Fujii, Roland Mitric

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   53 ( 52 )   14601 - 14604   2014年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:WILEY-V C H VERLAG GMBH  

    The dynamics and energetics of water at interfaces or in biological systems plays a fundamental role in all solvation and biological phenomena in aqueous solution. In particular, the migration of water molecules is the first step that controls the overall process in the time domain. Experimentally, the dynamics of individual water molecules is nearly impossible to follow in solution, because signals from molecules in heterogeneous environments overlap. Although molecular dynamics simulations do not have this restriction, there is a lack of experimental data to validate the calculated dynamics. Here, we demonstrate a new strategy, in which the calculated dynamics are verified by measured time-resolved infrared spectra. The coexistence of fast and slow migrations of water molecules around a CONH peptide linkage is revealed for a model system representative of a hydrate peptide.

    DOI: 10.1002/anie.201409047

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  • 有機物のナノスケール分析とマッピングを目的としたLaser-SNMS分析装置の開発−ブレンドポリマー双分離構造の直接観察− // Development of a Laser-SNMS Instrument for Nanoscale Analysis and Mapping of Organic Materials--Direct Observation of Phase Separation Structure in Blend Polymer -- 査読

    石川 丈晴, 柏木 隆宏, 坂本 哲夫, 三澤 健太郎, 藤井 正明, 蜂谷 正樹, 野田 浩之, 遠藤 克己, Takeharu Ishikawa, Takahiro Kashiwagi, Tetsuo Sakamoto, Kentaro Misawa, Masaaki Fujii, Masaki Hachiya, Hiroyuki Noda, Katsumi Endo

    表面科学 Journal of the Surface Science Society of Japan   35 ( 7 )   383 - 388   2014年7月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1380/jsssj.35.383

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  • Fast Nonradiative Decay in o-Aminophenol 査読

    Marcela C. Capello, Michel Broquier, Shun-Ichi Ishiuchi, Woon Y. Sohn, Masaaki Fujii, Claude Dedonder-Lardeux, Christophe Jouvet, Gustavo A. Pino

    JOURNAL OF PHYSICAL CHEMISTRY A   118 ( 11 )   2056 - 2062   2014年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The gas phase structure of 2-aminophenol has been investigated using UV-UV as well as IR-UV hole burning spectroscopy. The presence of a free OH vibration in the IR spectrum rules out the contribution of the cis isomer, which is expected to have an intramolecular H-bond, to the spectra. The excited state lifetimes of different vibronic levels have been measured with pump-probe picosecond experiments and are all very short (35 +/- 5) Ps as compared to other substituted phenols. The electronic states and active vibrational modes of the cis and trans isomers have been calculated with ab initio methods for comparison with the experimental spectra. The Franck-Condon simulation of the spectrum using the calculated ground and excited state frequencies of the trans isomer is in good agreement with the experimental one. The very short excited state lifetime of 2-aminophenol can then be explained by the strong coupling between the two first singlet excited states due to the absence of symmetry, the geometry of the trans isomer being strongly nonplanar in the excited state.

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  • Solvent Migration in Microhydrated Aromatic Aggregates: Ionization‐Induced Site Switching in the 4‐Aminobenzonitrile?Water Cluster 査読

    Takashi Nakamura, Matthias Schmies, Alexander Patzer, Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Martin Weiler, Otto Dopfer, Masaaki Fujii

    Chemistry - A European Journal   20 ( 7 )   2031 - 2039   2014年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1002/chem.201303321

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  • STED,蛍光ディップ手法における高解像度実現の共通原理 (特集 より深く,より細かく観察する高機能レーザー顕微鏡)

    酒井 誠, 藤井 正明

    O plus E : Optics・Electronics   36 ( 2 )   147 - 151   2014年2月

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    記述言語:日本語   出版者・発行元:アドコム・メディア  

    CiNii Books

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  • Ionization-induced π→H site-switching in phenol?CH4 complexes studied using IR dip spectroscopy 査読

    Mitsuhiko Miyazaki, Akihiro Takeda, Matthias Schmies, Makoto Sakai, Kentaro Misawa, Shun-ichi Ishiuchi, Fran?ois Michels, Klaus M?ller-Dethlefs, Otto Dopfer, Masaaki Fujii

    Physical Chemistry Chemical Physics   16 ( 1 )   110 - 116   2014年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/c3cp53533a

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  • Microsolvation of the acetanilide cation (AA+) in a nonpolar solvent: IR spectra of AA+-Ln (L = He, Ar, N2; n ≦ 4) 査読

    Matthias Schmies, Alexander Patzer, Markus Sch?tz, Mitsuhiko Miyazaki, Masaaki Fujii, Otto Dopfer

    Physical Chemistry Chemical Physics   16 ( 17 )   7980 - 7995   2014年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/c4cp00401a

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  • Unusual Behavior in the First Excited State Lifetime of Catechol 査読

    Martin Weiler, Mitsuhiko Miyazaki, Geraldine Feraud, Shun-ichi Ishiuchi, Claude Dedonder, Christophe Jouvet, Masaaki Fujji

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS   4 ( 22 )   3819 - 3823   2013年11月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    We are presenting vibrationally selective pump-probe measurements of the first electronic excited-state (pi pi*) lifetime of jet-cooled neutral catechol (1,2-dihydroxybenzene). The lifetime of the 0-0 transition is very short (7 ps) as rationalized by the small pi pi*/pi sigma* gap calculated. However, the lifetimes implying higher out-of-plane vibrational levels are longer (similar to 11 ps). This emphasizes the role of the out-of-plane vibration in the pi pi*/pi sigma* coupling, not only in its nature, but also in the number of quanta.

    DOI: 10.1021/jz402089m

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  • IR-UV Double Resonance Spectroscopy as Implemented by Polarized Laser Schemes: Probing Orientations of Vibrational Transition Dipole Moments 査読

    Shu-hei Urashima, Mitsuhiko Miyazaki, Masaaki Fujii, Hiroyuki Saigusa

    CHEMISTRY LETTERS   42 ( 9 )   1070 - 1072   2013年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:CHEMICAL SOC JAPAN  

    IR-UV double resonance spectroscopy based on polarized laser schemes is developed in order to gain information on the orientations of vibrational transition dipole moments. Polarization dependence of IR band shape is presented for the two amino stretching modes of aniline.

    DOI: 10.1246/cl.130425

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  • Selective detection of polyaromatic hydrocarbons on diesel exhaust particles using sputtered neutral mass spectrometry 査読

    Tetsuo Sakamoto, Kenji Ohishi, Shun-Ichi Hayashi, Masaaki Fujii

    Surface and Interface Analysis   45 ( 8 )   1309 - 1312   2013年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    Aiming for the highly sensitive analysis of aromatic hydrocarbons in organic mixtures, selective ionization using an ultraviolet laser ionization technique was examined for the determination of sputtered neutral species on organic surfaces. The mass spectrum of a model mixture containing pyrene and n-alkane showed that only pyrene was ionized and detected, whereas a mass spectrum without laser irradiation, i.e. in the case of secondary ion mass spectrometry, was dominated by many n-alkane fragment peaks. This technique was applied for the detection of polyaromatic hydrocarbons adsorbed on diesel exhaust particles. Two kinds of polyaromatic hydrocarbons were clearly detected because many aliphatic fragment signals were suppressed by means of ultraviolet laser ionization. Copyright © 2013 John Wiley &amp
    Sons, Ltd.

    DOI: 10.1002/sia.5284

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  • Gas-Phase Spectroscopy of Laser-Desorbed Acedan and Proline-Acedan 査読

    Hae Jun Jung, Woon Yong Sohn, Cheol Ho Heo, Hwan Myung Kim, Shun-ichi Ishiuchi, Masaaki Fujii, Hyuk Kang

    BULLETIN OF THE KOREAN CHEMICAL SOCIETY   34 ( 8 )   2241 - 2242   2013年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:KOREAN CHEMICAL SOC  

    DOI: 10.5012/bkcs.2013.34.8.2241

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  • Structural analysis of aerosol particles by microscopic observation using a time-of-flight secondary ion mass spectrometer 査読

    Akinori Takami, Norihito Mayama, Tetsuo Sakamoto, Kenji Ohishi, Satoshi Irei, Ayako Yoshino, Shiro Hatakeyama, Kentaro Murano, Yasuhiro Sadanaga, Hiroshi Bandow, Kentaro Misawa, Masaaki Fujii

    Journal of Geophysical Research Atmospheres   118 ( 12 )   6726 - 6737   2013年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Blackwell Publishing Ltd  

    The chemical composition and structure of fine aerosol particles with diameters of less than 1 μm were analyzed in the spring of 2011 at Fukue Island, Japan, using an aerosol quadrupole mass spectrometer (Q-AMS, Aerodyne Research, Inc.) and a time-of-flight secondary ion mass spectrometer (TOF-SIMS). The Q-AMS results were similar to those of previous studies conducted at the same location, suggesting that the composition we observed is typical of this site. Based on the TOF-SIMS results, we classified the fine aerosol particles into three types: Type A, in which sulfate was covered with organic matter (OM)
    Type B, in which soil-containing particles with a diameter of 0.5 μm were associated with sulfate and OM
    and Type C, in which black carbon (BC) and sulfate aggregates were associated with OM. During the observation period, the relative abundances of Type A, B, and C particles were 55%, 20%, and 25%, respectively. The structure, chemical composition, and the proportion of each type of particles provide information for a more representative particle model in radiative models. The relative abundance of Type C, i.e., BC-containing particles, is quite different to that in Tokyo, suggesting that Type C could be an indicator of transboundary air pollution, in this case from mainland China. Key Points Fine particles analyzed by TOF-SIMS and AMS Structure and chemical compositions were analyzed Fine particles were classified into three types © 2013. American Geophysical Union. All Rights Reserved.

    DOI: 10.1002/jgrd.50477

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  • Untitled

    Masaaki Fujii, Tahei Tahara, Yasuhisa Mizutani

    CHEMICAL PHYSICS   419   1 - 1   2013年6月

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    記述言語:英語   出版者・発行元:ELSEVIER SCIENCE BV  

    DOI: 10.1016/j.chemphys.2013.04.003

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  • Gas-phase spectroscopy and anharmonic vibrational analysis of the 3-residue peptide Z-Pro-Leu-Gly-NH2 by the laser desorption supersonic jet technique 査読

    Shun-ichi Ishiuchi, Kohei Yamada, Shamik Chakraborty, Kiyoshi Yagi, Masaaki Fujii

    CHEMICAL PHYSICS   419   145 - 152   2013年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The electronic excitation and infrared (IR) spectra of a capped tri-peptide, Z-PLG-NH2 (Z = benzyloxycarbonyl, P = Pro, L = Leu, G = Gly), were measured in the gas phase by using the laser desorption supersonic jet technique. By measuring an ultraviolet-ultraviolet hole burning spectrum, it was found that Z-PLG-NH2 has the maximum three conformers in the gas phase, but that the population is mainly distributed to a single conformation. Molecular dynamics simulations and density functional theory calculations well-reproduced the observed IR spectrum, except for splitting of the NH stretching bands by a beta-turn structure that corresponds to a global minimum structure. Anharmonic vibrational analysis by vibrational quasi-degenerate perturbation theory (VQDPT) successfully reproduced the anharmonic splitting, and confirmed the assignments. (C) 2013 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.chemphys.2012.12.038

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  • Quaternary and secondary structural imaging of a human hair by a VSFG-detected IR super-resolution microscope 査読

    Makoto Sakai, Katsuya Kikuchi, Masaaki Fujii

    CHEMICAL PHYSICS   419   261 - 265   2013年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    IR super-resolution images of cross sections of a human black hair were measured by using a home-made vibrational sum-frequency generation (VSFG) detected IR microscope in the 6-9 mu m region with a submicrometer spatial resolution. For the amide III band, the sample gave clear strong signals at the cortex area. This enabled us to measure the distribution of intermediate filaments, which have an alpha-helix based quaternary structure of keratin proteins in the hair. On the other hand, the VSFG signal disappeared completely when the amide I band was monitored by the same polarization of incident light. From the polarization dependence of VSFG, it is concluded that the alpha-helix of keratin proteins are well aligned along the axial direction in human hair. (C) 2013 Elsevier B. V. All rights reserved.

    DOI: 10.1016/j.chemphys.2013.02.016

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  • Editorial 査読

    Fujii Masaaki, Tahara Tahei, Mizutani Yasuhisa

    CHEMICAL PHYSICS   419   1   2013年6月

  • Preface 査読

    Masaaki Fujii, Tahei Tahara, Yasuhisa Mizutani

    Chemical Physics   419   1-1 - 1-1   2013年6月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.1016/j.chemphys.2013.04.003

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  • Structural analysis of aerosol particles by microscopic observation using a time-of-flight secondary ion mass spectrometer 査読

    Akinori Takami, Norihito Mayama, Tetsuo Sakamoto, Kenji Ohishi, Satoshi Irei, Ayako Yoshino, Shiro Hatakeyama, Kentaro Murano, Yasuhiro Sadanaga, Hiroshi Bandow, Kentaro Misawa, Masaaki Fujii

    JOURNAL OF GEOPHYSICAL RESEARCH-ATMOSPHERES   118 ( 12 )   6726 - 6737   2013年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER GEOPHYSICAL UNION  

    The chemical composition and structure of fine aerosol particles with diameters of less than 1 mu m were analyzed in the spring of 2011 at Fukue Island, Japan, using an aerosol quadrupole mass spectrometer (Q-AMS, Aerodyne Research, Inc.) and a time-of-flight secondary ion mass spectrometer (TOF-SIMS). The Q-AMS results were similar to those of previous studies conducted at the same location, suggesting that the composition we observed is typical of this site. Based on the TOF-SIMS results, we classified the fine aerosol particles into three types: Type A, in which sulfate was covered with organic matter (OM); Type B, in which soil-containing particles with a diameter of 0.5 mu m were associated with sulfate and OM; and Type C, in which black carbon (BC) and sulfate aggregates were associated with OM. During the observation period, the relative abundances of Type A, B, and C particles were 55%, 20%, and 25%, respectively. The structure, chemical composition, and the proportion of each type of particles provide information for a more representative particle model in radiative models. The relative abundance of Type C, i.e., BC-containing particles, is quite different to that in Tokyo, suggesting that Type C could be an indicator of transboundary air pollution, in this case from mainland China.

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  • Revised conformational assignments and conformational evolution of tyrosine by laser desorption supersonic jet laser spectroscopy 査読

    Yoko Shimozono, Kohei Yamada, Shun-Ichi Ishiuchi, Koichi Tsukiyama, Masaaki Fujii

    Physical Chemistry Chemical Physics   15 ( 14 )   5163 - 5175   2013年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The number of conformers and their structures of tyrosine are reassigned on the basis of resonance enhanced multiphoton ionization (REMPI), ultraviolet-ultraviolet hole burning (UV-UV HB), infrared (IR) dip spectra, and quantum chemical calculations. From comparison between REMPI and UV-UV HB spectra, it was found that 12 conformers coexist in the supersonic jet. The structures of these conformers are determined by the IR spectra and theoretical calculations. The number of conformers is more than that reported in the previous reports (8 conformers), and is rationalized by the systematic formation of conformers from simpler molecules without substituents, just like evolution. The importance of dipole-dipole interaction between an amino-acid chain and hydroxyl group at the benzene ring was also discussed. © 2013 The Owner Societies.

    DOI: 10.1039/c3cp43573c

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  • Microsolvation of the 4-Aminobenzonitrile Cation (ABN+) in a Nonpolar Solvent: IR Spectra of ABN+-Ln (L=Ar and N2, n≦4) 査読

    Matthias Schmies, Alexander Patzer, Sarah Kruppe, Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Masaaki Fujii, Otto Dopfer

    ChemPhysChem   14 ( 4 )   728 - 740   2013年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1002/cphc.201200790

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  • Imaging of Polycyclic Aromatic Hydrocarbons by Means of Sputtered Neutrals Mass Spectrometry Using a Diode-pumped Solid-State Laser 査読

    Kenji Ohishi, Tetsuo Sakamoto, Jiro Saikawa, Naoya Ishigaki, Koji Tojo, Yutaka Ido, Shun-ichi Hayashi, Shun-ichi Ishiuchi, Kentaro Misawa, Masaaki Fujii

    ANALYTICAL SCIENCES   29 ( 3 )   291 - 295   2013年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:JAPAN SOC ANALYTICAL CHEMISTRY  

    Laser post-ionization of sputtered molecules by pulsed Ga focused ion-beam (Ga-FIB) bombardment was examined for the detection and imaging of polycyclic aromatic hydrocarbons (PAHs) on particles. As model samples, pyrene and pelyrene adsorbed on TiO2, blended regents of pyrene and n-heneicosan were used. The TiO2 particle size was selected to be several micro-meters. Laser light and Ga-FIB were synchronized with each other. The repetition rate synchronized with Ga-FIB was 1 kHz for pyrene analysis and 2 kHz for perylene, respectively. The laser wavelength was set to 266 nm. The wavelength was a generated fourth harmonic of a Nd:YAG DPSS (diode-pumped solid-state) micro-chip laser (UV microchip laser). By using a UV microchip laser, laser-SNMS (laser post-ionized sputtered neutral mass spectrometry) analysis and imaging were performed. The imaging of pyrene (m/z = 202, C16H10) and perylene (m/z = 252, C20H12) has been successful. Both the scanning ion microscopy image of TiO2 and the PAHs image in laser-SNMS analysis were well-fitted with each other.

    DOI: 10.2116/analsci.29.291

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  • IR Spectroscopy of the 4-AminobenzonitrileAr Cluster in the S0, S1 Neutral and D0 Cationic States 査読

    Takashi Nakamura, Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Martin Weiler, Matthias Schmies, Otto Dopfer, Masaaki Fujii

    CHEMPHYSCHEM   14 ( 4 )   741 - 745   2013年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:WILEY-V C H VERLAG GMBH  

    The S1S0 resonant enhanced multiphoton ionization (REMPI) spectrum as well as the infrared (IR) spectra in the S0 and S1 states of 4-aminobenzonitrile (4ABN) and its van der Waals complex with Ar (4ABNAr) were measured by means of IR depletion spectroscopy (REMPIIR). The IR spectrum of 4ABNAr in S0 shows symmetric and antisymmetric NH stretching vibrations (s and a) of the amino group at the same positions as those in the 4ABN monomer. This suggests that the Ar ligand locates above the benzene ring by van der Waals interactions (-bound). The same coincidence of vibrational frequencies was found in S1, and the -bound geometry was kept by the electronic excitation. The REMPIIR spectrum of 4ABN+Ar was also measured, and three major vibrational transitions were found. From the comparison to the IR dissociation spectrum with an electron impact source (EIIR), they were assigned to s, a and an NH-bending overtone of the -bound structure. It is concluded that photoionization of 4ABN+Ar does not promote site-switching of Ar from the -site to the H-site.

    DOI: 10.1002/cphc.201200821

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  • Analysis of source apportionment and chemical transformation of particles in trans-boundary air pollution using high lateral resolution imaging SIMS 査読

    Tetsuo Sakamoto, Kenji Ohishi, Yusuke Miura, Masaaki Fujii, Kentaro Misawa, Norihito Mayama, Mikko Riese, Kana Kitatsugu, Akinori Takami, Satoshi Irei, Shiro Hatakeyama, Ayako Yoshino, Kentaro Murano, Takuma Mukaida, Hiroshi Bandow, Yasuhiro Sadanaga

    Technical Reports of the Meteorological Research Institute   68   59 - 60   2013年2月

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    掲載種別:研究論文(学術雑誌)  

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  • Laser post-ionization mass spectrometry of PAHs on diesel soot particle 査読

    Kenji Ohishi, Norihito Mayama, Kana Kitatsugu, Kentaro Misawa, Tetsuo Sakamoto, Masaaki Fujii

    Technical Reports of the Meteorological Research Institute   68   55 - 56   2013年2月

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  • Structure of 1-naphthol-water clusters in the S-1 state studied by UV-IR fluorescence dip spectroscopy and ab initio molecular orbital calculations 査読

    Toshihiko Shimizu, Ruriko Yoshino, Shun-ichi Ishiuchi, Kenro Hashimoto, Mitsuhiko Miyazaki, Masaaki Fujii

    CHEMICAL PHYSICS LETTERS   557   19 - 25   2013年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    IR spectra of trans-1-naphthol-(H2O)(n) (n = 0-3) clusters in the S-1 state were measured by UV-IR fluorescence dip spectroscopy. The observed dip spectra were compared with theoretical ones of various stable conformations predicted by ab initio MO calculations. From the comparison, linear (n = 1) and cyclic hydrogen-bond structures (n = 2 and 3) were concluded. The relation between the structures and photochemical reactivity was discussed. (C) 2012 Elsevier B.V. All rights reserved.

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  • Ground State Proton Transfer in Phenol-(NH3)n (n?11) Clusters Studied by Mid-IR Spectroscopy in 3-10 μm Range 査読

    Mitsuhiko Miyazaki, Ayako Kawanishi, Iben Nielsen, Ivan Alata, Shun-ichi Ishiuchi, Claude Dedonder, Christophe Jouvet, Masaaki Fujii

    The Journal of Physical Chemistry A   117 ( 7 )   1522 - 1530   2013年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1021/jp312074m

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  • Analysis of black carbon particles by high-resolution TOF-SIMS 査読

    Norihito Mayama, Yusuke Miura, Kenji Ohishi, Tetsuo Sakamoto, Masaaki Fujii

    Technical Reports of the Meteorological Research Institute   68   57 - 58   2013年2月

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  • IR super-resolution microspectroscopy and its application to single cells 査読

    Makoto Sakai, Keiichi Inoue, Masaaki Fujii

    Current Pharmaceutical Biotechnology   14 ( 2 )   159 - 166   2013年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    For many years, spatial resolution is the most critical problem in IR microspectroscopy. This is because the spatial resolution of a conventional infrared microscope is restricted by the diffraction limit, which is almost the same as the wavelength of IR light, ranging from 2.5 to 25 μm. In the recent years, we have developed two novel types of far-field IR super-resolution microscopes using 2-color laser spectroscopies, those are transient fluorescence detected IR (TFD-IR) spectroscopy and vibrational sum-frequency generation (VSFG) spectroscopy. In these ways, because both transient fluorescence and VSFG signal have a wavelength in the visible region, the image is observed at the resolution of visible light, which is about 10 times smaller than that of IR light (that is, IR super-resolution). By using these techniques, we can map the specific IR absorption band with sub-micrometer spatial resolution, visualization of the molecular structure and reaction dynamics in a non-uniform environment such as a cell becomes a possibility. In the present reviews, we introduce our novel IR super-resolution microspectroscopy and its application to single cells in detail. © 2013 Bentham Science Publishers.

    DOI: 10.2174/138920113805219430

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  • Laser desorption supersonic jet spectroscopy of octopamine by its hydrochloride salt 査読

    Shun-Ichi Ishiuchi, Hirokazu Sone, Masaaki Fujii

    Chemistry Letters   42 ( 10 )   1166 - 1167   2013年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    Octopamine is a phenol analog of noradrenaline and acts as a neurotransmitter in invertebrates such as octopus. It is available as a hydrochloride salt to avoid air oxidation. We applied laser desorption supersonic jet technique to octopamine hydrochloride without any chemical preparations and found that molecular ion of octopamine, not salt, is observed. Resonanceenhanced 2-photon ionization and ultraviolet-ultraviolet holeburning spectra of octopamine were measured, and four conformers were identified. This number of conformations is rationalized by conformations of ethanolamine chain and orientations of phenolic OH. © 2013 The Chemical Society of Japan.

    DOI: 10.1246/cl.130431

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  • Characterization of black carbon in fine aerosol particles using high lateral resolution TOF-SIMS 査読

    Norihito Mayama, Yusuke Miura, Kentaro Misawa, Akinori Takami, Tetsuo Sakamoto, Masaaki Fujii

    Analytical Sciences   29 ( 4 )   479 - 482   2013年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    Fine aerosol particles were analyzed by time-of-flight secondary ion mass spectrometry with high lateral resolution. After sulfate particles with a diameter of about 1 μm were sputtered by gallium primary ions (a gallium focused ion beam), solid materials with a diameter of about 100 nm were occasionally found inside the particles. Since the mass spectrum for the solid material was almost the same as that of graphite, we concluded that the solids were black carbon. It was also found that the black carbon located at the surface of the sulfate core, and they were usually surrounded by organic matter. © 2013,The Japan Society for Analytical Chemistry.

    DOI: 10.2116/analsci.29.479

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  • MODE-specific deactivation of adenine at the singlet excited states 査読

    Mitsuhiko Miyazaki, Hyuk Kang, Chang Min Choi, Noh Soo Han, Jae Kyu Song, Nam Joon Kim, Masaaki Fujii

    Journal of Chemical Physics   139 ( 12 )   124311-1 - 124311-5   2013年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The deactivation process of adenine excited near the band origin of the lowest ππ* state (1Lb) is investigated using picosecond (ps) time-resolved photoionization spectroscopy. The transients obtained with a ps pump pulse at the sharp vibronic bands, 36 105 cm -1 (D) and 36 248 cm-1 (E), in the resonant two-photon ionization spectrum exhibit a bi-exponential decay with two distinct time constants of τ1 ∼ 2 ps and τ2 &gt
    100 ps, whereas the transients with the pump at other wavenumbers in this energy region show a single exponential decay with τ = 1-2 ps. We suggest that the τ1 represents the lifetimes of the 1nπ* energy levels near the D and E peaks, which are excited together by the ps pump pulse having a broad spectral bandwidth, and the τ2 shows the lifetimes of D and E peaks. The long lifetime of D level is attributed to a small barrier for internal conversion from the minimum of the 1L b state to the 1nπ* state. On the other hand, the long lifetime of E level is ascribed to the nuclear configuration of adenine at this level, which is unfavorable to reach the seam of the conical intersection leading to nearly barrierless deactivation to the electronic ground state. This study shows that the ps time-resolved spectroscopy provides a powerful tool to study mode- and energy-specific deactivation processes occurring in a multi-dimensional potential energy surface. © 2013 AIP Publishing LLC.

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  • Conformationally resolved spectra of acetaminophen by UV-UV hole burning and IR dip spectroscopy in the gas phase 査読

    Woon Yong Sohn, Shun-ichi Ishiuchi, Mitsuhiko Miyazaki, Jeongseok Kang, Soyoung Lee, Ahreum Min, Myong Yong Choi, Hyuk Kang, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   15 ( 3 )   957 - 964   2013年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Electronic and vibrational spectra of acetaminophen were measured by using UV-UV hole burning (HB) and IR dip spectroscopy. HB spectra show the coexistence of 4 different species, which include two new ones. Low-frequency transitions in the spectra are reproduced by a one-dimensional periodic potential with a free-rotor basis set for the methyl group. From the analysis, we concluded that acetaminophen has two conformers and each conformer gives two independent transitions starting from the most stable 0a(1) and the hot 1e internal rotational levels. It is also found that the HB spectrum of the trans-conformer in the previous report is that from the 1e excited level, while the HB spectrum of the cis-conformer is contaminated by the transitions of the trans-conformer. Potential curves of the methyl rotational motion are determined both in S-0 and S-1.

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  • IR spectroscopy of monohydrated tryptamine cation: Rearrangement of the intermolecular hydrogen bond induced by photoionization 査読

    Kenji Sakota, Yuuki Kouno, Satoshi Harada, Mitsuhiko Miyazaki, Masaaki Fujii, Hiroshi Sekiya

    JOURNAL OF CHEMICAL PHYSICS   137 ( 22 )   224311-1 - 224311-5   2012年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    Rearrangement of intermolecular hydrogen bond in a monohydrated tryptamine cation, [TRA(H2O)(1)](+), has been investigated in the gas phase by IR spectroscopy and quantum chemical calculations. In the S-0 state of TRA(H2O)(1), a water molecule is hydrogen-bonded to the N atom of the amino group of a flexible ethylamine side chain [T. S. Zwier, J. Phys. Chem. A 105, 8827 (2001)]. A remarkable change in the hydrogenbonding motif of [TRA(H2O)](+) occurs upon photoionization. In the D-0 state of [TRA(H2O)(1)](+), the water molecule is hydrogen-bonded to the NH group of the indole ring of TRA(+), indicating that the water molecule transfers from the amino group to NH group. Quantum chemical calculations are performed to investigate the pathway of the water transfer. Two potential energy barriers emerge in [TRA(H2O)(1)](+) along the intrinsic reaction coordinate of the water transfer. The water transfer event observed in [TRA(H2O)(1)](+) is not an elementary but a complex process. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4769878]

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  • Ionization-Induced Solvent Migration in Acetanilide-Methanol Clusters Inferred from Isomer-Selective Infrared Spectroscopy 査読

    Martin Weiler, Takashi Nakamura, Hiroshi Sekiya, Otto Dopfer, Mitsuhiko Miyazaki, Masaaki Fujii

    CHEMPHYSCHEM   13 ( 17 )   3875 - 3881   2012年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:WILEY-V C H VERLAG GMBH  

    We present the resonance-enhanced multiphoton ionization, infrared-ultraviolet hole burning (IR-UV HB), and IR dip spectra of the trans-acetanilidemethanol (AAMeOH) cluster in the S0, S1, and cationic ground state (D0) in a supersonic jet. The IR-UV HB spectra demonstrate the co-existence of two isomers in S0,1, in which MeOH binds either to the NH or the CO site of the peptide linkage in AA, denoted as AA(NH)MeOH and AA(CO)MeOH. When AA(CO)MeOH is selectively ionized, its IR spectrum in D0 is the same as that measured for AA+(NH)MeOH. Thus, photoionization of AA(CO)MeOH induces migration of MeOH from the CO to the NH site with 100% yield.

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  • 振動和周波発生法を利用した赤外超解像顕微鏡の開発と生細胞への応用 査読

    酒井 誠, 藤井 正明

    膜   37 ( 4 )   200 - 205   2012年7月

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    掲載種別:研究論文(学術雑誌)  

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  • Absorption Spectra and Photochemical Reactions in a Unique Photoactive Protein, Middle Rhodopsin MR 査読

    Keiichi Inoue, Louisa Reissig, Makoto Sakai, Shiori Kobayashi, Michio Homma, Masaaki Fujii, Hideki Kandori, Yuki Sudo

    JOURNAL OF PHYSICAL CHEMISTRY B   116 ( 20 )   5888 - 5899   2012年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    Photoactive proteins with cognate chromophores are widespread in organisms, and function as light-energy converters or receptors for light-signal transduction. Rhodopsins, which have retinal (vitamin A aldehyde) as their chromophore within their seven transmembrane alpha-helices, are classified into two groups, microbial (type-1) and animal (type-2) rhodopsins. In general, light absorption by type-1 or type-2 rhodopsins triggers a trans-cis or cis-trans isomerization of the retinal, respectively, initiating their photochemical reactions. Recently, we found a new microbial rhodopsin (middle rhodopsin, MR), binding three types of retinal isomers in its original state: all-trans, 13-cis, and 11-cis. Here, we identified the absolute absorption spectra of MR by a combination of high performance liquid chromatography (HPLC) and UV-vis spectroscopy under varying light conditions. The absorption maxima of MR with all-trans, 13-cis, or 11-cis retinal are located at 485, 479, and 495 nm, respectively. Their photocycles were analyzed by time-resolved laser spectroscopy using various laser wavelengths. In conclusion, we propose that the photocycles of MR are MR(trans) -&gt; MRK:lifetime = 93 mu s -&gt; MRM:lifetime = 12 ms -&gt; MR, MR(13-cis) -&gt; MRO-like:lifetime = 5.1 ms -&gt; MR, and MR(11-cis) -&gt; MRK-like:lifetime = 8.2 mu s -&gt; MR, respectively. Thus, we demonstrate that a single photoactive protein drives three independent photochemical reactions.

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  • Gas phase IR spectra of tri-peptide Z-Pro-Leu-Gly: Effect of C-terminal amide capping on secondary structure 査読

    Shamik Chakraborty, Kohei Yamada, Shun-ichi Ishiuchi, Masaaki Fujii

    CHEMICAL PHYSICS LETTERS   531   41 - 45   2012年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Three-residue peptides capped with benzyloxycarbonyl (Z-) group, Z-Pro-Leu-Gly-NH2 and Z-Pro-Leu-Gly-OH, are investigated by infrared (IR) spectroscopy, using supersonic-jet laser desorption technique, in the N-H and O-H stretching frequency ranges. The IR spectra show clear evidence of the formation of different hydrogen-bonding network in the two peptides. The possible gas phase structure is proposed from density functional theory calculations using cc-pVDZ basis set. The Z-Pro-Leu-Gly-OH in the gas phase forms successive gamma-turn structure with free C-terminal carboxyl group whereas main structural element in Z-Pro-Leu-Gly-NH2 is beta-turn with C-terminal -NH2 group forming hydrogen bond. Structural information is employed to predict their binding capability in gas phase. (C) 2012 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.cplett.2012.01.086

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  • A two-color tunable infrared/vacuum ultraviolet spectrometer for high-resolution spectroscopy of molecules in molecular beams 査読

    Jonathan R. Woodward, Hirokazu Watanabe, Shun-Ichi Ishiuchi, Masaaki Fujii

    REVIEW OF SCIENTIFIC INSTRUMENTS   83 ( 1 )   014102-1 - 014102-9   2012年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    We describe here the key technical elements of a two-color tunable IR/VUV photoionization TOF mass spectrometer system which allows a wide-range of high-resolution experiments to be performed on a diverse range of cold molecules and clusters in a molecular beam. In particular we highlight the methods we have applied to provide efficient wavelength separation of the VUV radiation from the longer wavelength components used to generate it and discuss a number of systems that we have studied with the instrument which highlight its flexibility for use in the study of molecular spectroscopy. (C) 2012 American Institute of Physics. [doi:10.1063/1.3673639]

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  • 高分解能飛行時間型二次イオン質量分析法を用いた微粒子粒別起源解析法の開発 査読

    間山 憲仁, 後藤 栄太, 三浦 祐哉, 大石 乾詞, 坂本 哲夫, 高見 昭憲, 畠山 史郎, 坂東 博, 村野 健太郎, 藤井 正明

    Journal of the Vacuum Society of Japan   55 ( 3 )   104 - 107   2012年

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    記述言語:日本語   掲載種別:研究論文(国際会議プロシーディングス)  

    DOI: 10.3131/jvsj2.55.104

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  • Watching Water Migration around a Peptide Bond 査読

    Kohei Tanabe, Mitsuhiko Miyazaki, Matthias Schmies, Alexander Patzer, Markus Schuetz, Hiroshi Sekiya, Makoto Sakai, Otto Dopfer, Masaaki Fujii

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   51 ( 27 )   6604 - 6607   2012年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:WILEY-V C H VERLAG GMBH  

    DOI: 10.1002/anie.201203296

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  • Ionisation-induced site switching dynamics in solvated aromatic clusters: phenol-(rare gas)(n) clusters as prototypical example 査読

    Masaaki Fujii, Otto Dopfer

    INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY   31 ( 1 )   131 - 173   2012年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:TAYLOR & FRANCIS LTD  

    The ionisation-induced pi -&gt; H site switching reaction in clusters of phenol solvated by rare gas ligands, PhOH-Rg(n) (Rg = Ar and Kr, n = 1-3), is characterised by electron impact infrared (EI-IR) photodissociation as well as nanosecond and picosecond time-resolved UV-UV-IR spectroscopy. The EI-IR spectra of the PhOH+-Rg dimers demonstrate that the H-bound isomer is the most stable structure in the ground electronic state of the cation, in which the Rg atom forms a hydrogen bond to the OH group of PhOH+. The pi-bound structure, in which the Rg ligand is attached to the aromatic ring, is also weakly detected as a less stable structure in the EI-IR spectrum. The IR spectra of the PhOH+-Rg dimers change drastically, when the cluster cations are generated by resonance-enhanced multiphoton ionisation (REMPI). The metastable pi-bound structure becomes the major species and dominates the population. The picosecond time-resolved REMPI-IR spectra clearly demonstrate the initial population of the pi-bound structure by ionisation, the subsequent pi -&gt; H site switching to the H-bound site, and the eventual formation of an pi -&gt; H equilibrium population by the H -&gt; pi back reaction. Classically, this intermolecular pi &lt;-&gt; H structural rearrangment corresponds to a pendular motion of Rg atom around PhOH+. The pi -&gt; H switching dynamics is sensitively affected by the addition of one or more Rg ligands with respect to the reaction mechanism and the rate constants. In larger PhOH+-Rg(n) clusters (n &gt;= 2), the initially populated pi-bound structure is completely converted into the H-bound structure by a one-way single-step reaction with a single exponential decay on the picosecond timescale. This principal change in the reaction mechanism is rationalised by efficient intermolecular vibrational energy redistribution from the reaction coordinate to modes of the available spectator ligand(s), which completely quenches the H -&gt; pi back reaction for n &gt;= 2. Structures, energetics and dynamics of this pi-H site switching, along with a quantum chemical description based on wavepacket dynamics are discussed. Significantly, these spectroscopic experiments for PhOH+-Rg(n) represent the first time-resolved studies of intermolecular rearrangment reactions in molecular clusters.

    DOI: 10.1080/0144235X.2012.656013

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  • Gas-phase Infrared Spectroscopy of Monopeptides from 10 to 3 mu m 査読

    Mitsuhiko Miyazaki, Koji Makara, Shun-ichi Ishiuchi, Masaaki Fujii

    CHEMISTRY LETTERS   40 ( 10 )   1157 - 1158   2011年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:CHEMICAL SOC JAPAN  

    Infrared spectra of protected amino acids, N-benzoxycarbonyl-L-proline and N-benzoxycarbonyl-L-isoleucine were measured in the gas phase from 10 to 3 mu m. 4 and 3 conformers were found, respectively. The spectra in the 3 mu m region reveal the carboxylic OH and amide NH bonds do not participate in hydrogen bonding with neighboring amide groups despite the highest acidity in the molecule. The spectra ill the 10-5 mu m region imply the main chain structure is the same among the conformers.

    DOI: 10.1246/cl.2011.1157

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  • Isomerization reaction in high-n Rydberg states of phenol-Ar/Kr clusters measured by autoionization detected infrared spectroscopy 査読

    Mitsuhiko Miyazaki, Shinya Tanaka, Shun-ichi Ishiuchi, Otto Dopfer, Masaaki Fujii

    CHEMICAL PHYSICS LETTERS   513 ( 4-6 )   208 - 211   2011年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Infrared (IR) spectra of phenol-Ar/Kr in high-n Rydberg states converging to the cation ground state were measured by autoionization detected IR (ADIR) spectroscopy. Although the clusters were excited via the S-1 state of the pi-bound structures, the ADIR spectra exhibit free and hydrogen-bonded OH stretching vibrations (V-OH). Thus, similar to direct photoionization, excitation into high-n Rydberg states causes the pi-H site switching of the rare gas ligand from the aromatic ring to the OH group. This result demonstrates that the Rydberg electron is insensitive to the dynamics in the ion core. (C) 2011 Published by Elsevier B.V.

    DOI: 10.1016/j.cplett.2011.08.001

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  • Gas-Phase Spectroscopy of Synephrine by Laser Desorption Supersonic Jet Technique 査読

    Shun-ichi Ishiuchi, Toshiro Asakawa, Haruhiko Mitsuda, Mitsuhiko Miyazaki, Shamik Chakraborty, Masaaki Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   115 ( 37 )   10363 - 10369   2011年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    In our previous work, we found that synephrine has six conformers in the gas phase, while adrenaline, which is a catecholamine and has the same side chain as synephrine, has been reported to have only two conformers. To determine the conformational geometries of synephrine, we measured resonance enhanced multiphoton ionization, ultraviolet ultraviolet hole burning, and infrared dip spectra by utilizing the laser desorption supersonic jet technique. By comparing the observed infrared spectra with theoretical ones, we assigned geometries except for the orientations of the phenolic OH group. Comparison between the determined structures of synephrine and those of 2-methylaminno-1-phenylethanol, which has the same side chain as synephrine but no phenol OH group, leads to the conclusion that the phenolic OH group in synephrine does not affect the conformational flexibility of the side chain. In the case of adrenaline, which is expected to have 12 conformers if there are no interactions between the catecholic OH groups and the side chain, some interactions possibly exist between them because only two conformations are observed. By estimation of the dipole dipole interaction energy between partial dipole moments of the catecholic OH groups and the side chain, it was concluded that the dipole dipole interaction stabilizes specific conformers which are actually observed.

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  • Hole-Burning Spectra of m-Fluorophenol/Ammonia (1:3) Clusters and Their Excited State Hydrogen Transfer Dynamics 査読

    Norihiro Tsuji, Shun-ichi Ishiuchi, Christophe Jouvet, Claude Dedonder-Lardeux, Mitsuhiko Miyazaki, Makoto Sakai, Masaaki Fujii

    CHEMPHYSCHEM   12 ( 10 )   1928 - 1934   2011年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:WILEY-V C H VERLAG GMBH  

    Hole-burning spectra of m-fluorophenol/ammonia (1:3) clusters are measured by four-color UV-near IR-UV-UV hole-burning spectroscopy. Cis and trans isomers of the cluster are clearly distinguished in the (1:3) cluster. Picosecond time evolutions of the excited state hydrogen transfer (ESHT) reaction in the (1:3) clusters are measured by the ion depletion due to 3p-3s Rydberg transition of reaction products center dot NH4(NH3)(2) lying in the near infrared region. From the wavelength dependence of the time evolution, we have concluded 1) the initial formation of a metastable center dot NH4-NH3-NH3 radical and 2) successive isomerization to the most stable NH3-center dot NH4-NH3 radical in both cis and trans isomers. The reaction lifetimes of ESHT are determined by the rate equation analysis as 32.4 and 31.8 ps for the cis and trans isomer, respectively, and the isomerization and its back-reaction lifetime of both isomers are determined to be 3.3 ps and 11.2 ps. The almost same reaction rates are consistent with the similarity of the hydrogen bond networks in both clusters.

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  • 収束イオンビームとレーザーイオン化法を用いた環境汚染微粒子の履歴解析 査読

    藤井 正明, 坂本 哲夫

    光学   40 ( 5 )   232 - 234   2011年5月

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  • 高出力赤外波長可変レーザーの分子計測への応用

    藤井 正明, 宮崎 充彦, 斎川 次郎, 石月 秀貴, 平等 拓範

    電気学会研究会資料. OQD, 光・量子デバイス研究会   2011 ( 18 )   7 - 8   2011年3月

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    記述言語:日本語  

    CiNii Books

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  • Detailed analysis of diesel vehicle exhaust emissions: Nitrogen oxides, hydrocarbons and particulate size distributions 査読

    Hiroyuki Yamada, Kentaro Misawa, Daisuke Suzuki, Koichi Tanaka, Jun Matsumoto, Masaaki Fujii, Kotaro Tanaka

    PROCEEDINGS OF THE COMBUSTION INSTITUTE   33 ( 2 )   2895 - 2902   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE INC  

    Exhaust emissions from a diesel vehicle were studied using FTIR, SMCA-REMPI, and SMPS. With these techniques, quantitative emission properties of NO, NO2, N2O, NH3, CO, CH4, C2H4, C3H6, HCHO, toluene, toluene + CH2, toluene + 2CH(2), beta-methylstyrene, naphthalene, 2-methylnaphthalene, phenanthrene, and o-cresol, as well as particle size distributions, were obtained in constant-speed operation at 0-80 km/h, which corresponds to a brake mean effective pressure (BMEP) of 0-293 kPa. NO emission increased as the in-cylinder temperature increased, corresponding to increased engine load. NO2 and N2O had a strong correlation to equivalence ratio. The emission characteristics of non-aromatic hydrocarbons depended on engine load. At low load, the emissions were high because low in-cylinder temperature and Exhaust Gas Recycling (EGR) prevented complete fuel oxidation. Equivalence ratio had a slight influence on the non-aromatic hydrocarbon emissions. The profiles of aromatic hydrocarbon exhibited two shapes. One was a toluene group and another was a styrene and naphthalene group. The shapes of the toluene group were similar to those of non-aromatic hydrocarbons. On the other hand, the styrene and naphthalene group emissions at idling were low, suggesting that they were not formed at low load. These features concerning the two groups of aromatic hydrocarbons were also observed in a transient driving cycle. Emission of accumulation mode particles was correlated with equivalence ratio. Higher emissions were observed when the equivalence ratio was higher, and the particle diameters also increased. Emission of nucleation mode particles increased as the engine load increased, because the amount of injected fuel per cycle increased. (C) 2010 The Combustion Institute. Published by Elsevier Inc. All rights reserved.

    DOI: 10.1016/j.proci.2010.07.001

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  • Mass analyzed threshold ionization spectra of phenol…Ar2: ionization energy and cation intermolecular vibrational frequencies 査読

    Antonio Armentano, Xin Tong, Mikko Riese, Simon M. Pimblott, Klaus M?ller-Dethlefs, Masaaki Fujii, Otto Dopfer

    Physical Chemistry Chemical Physics   13 ( 13 )   6071 - 6076   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/c004497k

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  • Structures and IR/UV spectra of neutral and ionic phenol-Ar-n cluster isomers (n &lt;= 4): competition between hydrogen bonding and stacking 査読

    Matthias Schmies, Alexander Patzer, Masaaki Fujii, Otto Dopfer

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   13 ( 31 )   13926 - 13941   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The structures, binding energies, and vibrational and electronic spectra of various isomers of neutral and ionic phenol-Ar-n clusters with n &lt;= 4, PhOH(+)-Ar-n, are characterized by quantum chemical calculations. The properties in the neutral and ionic ground electronic states (S-0, D-0) are determined at the M06-2X/aug-cc-pVTZ level, whereas the S-1 excited state of the neutral species is investigated at the CC2/aug-cc-pVDZ level. The Ar complexation shifts calculated for the S-1 origin and the adiabatic ionisation potential, Delta S-1 and Delta IP, sensitively depend on the Ar positions and thus the sequence of filling the first Ar solvation shell. The calculated shifts confirm empirical additivity rules for Delta S-1 established recently from experimental spectra and enable thus a firm assignment of various S-1 origins to their respective isomers. A similar additivity model is newly developed for Delta IP using the M06-2X data. The isomer assignment is further confirmed by Franck-Condon simulations of the intermolecular vibrational structure of the S-1 &lt;- S-0 transitions. In neutral PhOH-Ar-n, dispersion dominates the attraction and pi-bonding is more stable than H-bonding. The solvation sequence of the most stable isomers is derived as (10), (11), (30), and (31) for n &lt;= 4, where (km) denotes isomers with k and m Ar ligands binding above and below the aromatic plane, respectively. The pi interaction is somewhat stronger in the S-1 state due to enhanced dispersion forces. Similarly, the H-bond strength increases in S-1 due to the enhanced acidity of the OH proton. In the PhOH+-Ar-n cations, H-bonds are significantly stronger than pi-bonds due to additional induction forces. Consequently, one favourable solvation sequence is derived as (H00), (H10), (H20), and (H30) for n &lt;= 4, where (Hkm) denotes isomers with one H-bound ligand and k and m pi-bonded Ar ligands above and below the aromatic plane, respectively. Another low-energy solvation motif for n - 2 is denoted (11)(H) and involves nonlinear bifurcated H-bonding to both equivalent Ar atoms in a C-2v structure in which the OH group points toward the midpoint of an Ar-2 dimer in a T-shaped fashion. This dimer core can also be further solvated by pi-bonded ligands leading to the solvation sequence (H00), (11)(H), (21)(H), and (22) for n &lt;= 4. The implications of the ionisation-induced pi -&gt; H switch in the preferred interaction motif on the isomerisation and fragmentation processes of PhOH(+)-Ar-n are discussed in the light of the new structural and energetic cluster parameters.

    DOI: 10.1039/c1cp20676a

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  • Isomer selective IR-UV depletion spectroscopy of 4-fluorotoluene-NH3: evidence for π-proton-acceptor and linear hydrogen-bonded complexes 査読

    Martin C. R. Cockett, Mitsuhiko Miyazaki, Kohei Tanabe, Masaaki Fujii

    Physical Chemistry Chemical Physics   13 ( 34 )   15633 - 15638   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/c1cp21545k

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  • Conformational reduction of DOPA in the gas phase studied by laser desorption supersonic jet laser spectroscopy 査読

    Shun-ichi Ishiuchi, Haruhiko Mitsuda, Toshiro Asakawa, Mitsuhiko Miyazaki, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   13 ( 17 )   7812 - 7820   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The conformational reduction in catecholamine neurotransmitters was studied by resonance enhanced multi photon ionization (REMPI), ultraviolet-ultraviolet (UV-UV) hole burning and infrared (IR) dip spectroscopy with applying a laser desorption supersonic jet technique to DOPA, which is one of the catecholamine neurotransmitters and has one more phenolic OH group than tyrosine. It is concluded that DOPA has a single observable conformer in the gas phase at low temperature. Quantum chemical calculations at several levels with or without the dispersion correction were also carried out to study stable conformations. From the comparison between the computational IR spectra and the experimental ones, the most stable structure was determined. It is strongly suggested that the conformational reduction is caused by electrostatic interactions, such as a dipole-dipole interaction, between the chain and OH groups.

    DOI: 10.1039/c0cp02695f

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  • Development of Low Reflectivity and High Resolution Negative-tone Photoresist 査読

    Dai Shiota, Yoshinori Tadokoro, Kunihiro Noda, Masaru Shida, Masaaki Fujii

    JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY   24 ( 4 )   397 - 400   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:TECHNICAL ASSOC PHOTOPOLYMERS,JAPAN  

    The film patterned by the resin Black Matrix (BM) photoresist, which has two features, the lower reflectivity and low stress on environment of a processing developer than the chromium oxide (CrO) photoresist, is applied to the color filter (CF) in the Liquid Crystal Display (LCD). However, the new panel technology, that is required more lower environmental impact, needs lower reflectivity and narrower negative-tone pattern for the resin BM resist in recent years. We investigated the lower reflectivity resin BM resist film with the mill base comprised of the pigment alloyed silver and tin. The thermo gravimetric analysis (TGA) indicated a significant difference on a surface roughness (Ra) measured on an atomic forced microscope (AFM). Moreover, we observed a contact angle of 2-methoxy-1-methyl acetate (PGMEA) on the film with fluorin-cotaning polymer after post-bake at 220 degrees C. From these results, we concluded that the resin BM resist film comprised of the Ag-Sn mill base make lower reflective and narrower negative-tone pattern.

    DOI: 10.2494/photopolymer.24.397

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  • Photopolymerization Analysis by Isomerization for Oxime Derivatives 査読

    Dai Shiota, Yoshinori Tadokoro, Kunihiro Noda, Masaru Shida, Masaaki Fujii

    JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY   24 ( 6 )   625 - 629   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:TECHNICAL ASSOC PHOTOPOLYMERS,JAPAN  

    Negative photopolymerizing photoresists can be cured in a short time, as compared to thermosetting photoresists, and have advantages in reducing the energy, cost and volatile organic compound (VOC) generated therefore. They are utilized as a curing system for large-size liquid crystal panels, of which sizes are lengths more than 2 m. Therefore, novel photo polymerization initiators, which generate radicals more efficiently, have been investigated. However, compounds which substitute phenyl group in the oxime end have promptly occurred to E/Z-isomerization around C=N bonds. This isomerization remarkably decreases quantum yield of radical production in N-O bond cleavage. The authors investigate the influence to photolithography by the isomeric structure of O-acyloxime ester compounds and the selective synthetic process of isomeric structure. Consequently, a selective isomer synthesis method for E and Z isomers has been established by controlling the reaction temperature. Furthermore, evaluations of the pattern formation using these isomers areperformed. The evaluations have revealed that patterns are formed by using the E isomer with lower energy than that required by using the Z isomer.

    DOI: 10.2494/photopolymer.24.625

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  • Ionization-induced π → H site switching dynamics in phenol-Ar3 査読

    Shun-ichi Ishiuchi, Mitsuhiko Miyazaki, Makoto Sakai, Masaaki Fujii, Matthias Schmies, Otto Dopfer

    Physical Chemistry Chemical Physics   13 ( 6 )   2409 - 2416   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/c0cp01926g

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  • Photoionization-induced large-amplitude pendular motion in phenol(+)-Kr 査読

    Mitsuhiko Miyazaki, Akihiro Takeda, Shun-ichi Ishiuchi, Makoto Sakai, Otto Dopfer, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   13 ( 7 )   2744 - 2747   2011年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The dynamics of the intermolecular motion of the phenol(+)-Kr cation generated by photoionization of the neutral p-structure is probed by picosecond time-resolved infrared spectroscopy. The spectrum at zero delay displays only the free OH stretch band of the pi-structure. The appearance of the hydrogen-bonded OH stretch band of the H-structure after a few ps is due to ionization-induced pi -&gt; H site switching. Spectra at long delay (&gt;20 ns) show that the Kr atom delocalizes from one pi-site of the aromatic ring to the opposite pi-site via the OH-site, like a pendular motion in the classical picture.

    DOI: 10.1039/c0cp01961e

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  • 2N1448 中赤外領域が観察可能な赤外超解像顕微鏡の開発と生体試料への応用(バイオイメージング2,第49回日本生物物理学会年会)

    Kikuchi Katsuya, Kitatsugu Kana, Tajima Tomoki, Fujii Masaaki, Sakai Makoto

    生物物理   51   S100   2011年

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    記述言語:英語   出版者・発行元:一般社団法人 日本生物物理学会  

    DOI: 10.2142/biophys.51.S100_1

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  • レーザーイオン化/収束イオンビームによる単一ナノ粒子の履歴解析装置 査読

    坂本 哲夫, 藤井 正明

    化学と工業   63 ( 10 )   802 - 803   2010年10月

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    掲載種別:研究論文(学術雑誌)  

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  • Dissociation energetics of the phenol+…Ar2 cluster ion: The role of π→H isomerization 査読

    Xin Tong, Antonio Armentano, Mikko Riese, Med Ben Yezzar, Simon M. Pimblott, Klaus M?ller-Dethlefs, Shun-ichi Ishiuchi, Makoto Sakai, Akihiro Takeda, Masaaki Fujii, Otto Dopfer

    The Journal of Chemical Physics   133 ( 15 )   154308-1 - 154308-5   2010年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1063/1.3482733

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  • 2波長レーザー分光法を用いた赤外超解像イメージ測定法 査読

    井上 圭一, 藤井 正明, 酒井 誠

    分光研究   59 ( 5 )   233 - 234   2010年10月

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    掲載種別:研究論文(学術雑誌)  

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  • Tribute to Klaus Muller-Dethlefs 査読

    Daniel Neumark, Masaaki Fujii, Michael Duncan

    JOURNAL OF PHYSICAL CHEMISTRY A   114 ( 42 )   11027 - 11027   2010年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    DOI: 10.1021/jp106204d

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  • Structural Evolution of (1-NpOH)(n) Clusters Studied by R2PI and IR Dip Spectroscopies 査読

    Morihisa Saeki, Shun-ichi Ishiuchi, Makoto Sakai, Kenro Hashimoto, Masaaki Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   114 ( 42 )   11210 - 11215   2010年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    A large-size 1-naphthol cluster, (1-NpOH)(n), with n &lt;= 30 was prepared by using a high-pressure pulsed valve. The electronic and vibrational transitions of (1-NpOH)(n) with n = 3-9 were measured by resonant two-photon ionization (R2PI) and ion-detected IR dip spectroscopies. The S-1 &lt;- S-0 R2PI spectrum shows partially resolved structures around the origin band in the (1-NpOH)(n) cluster with n = 3-8. The (1-NpOH)(3) and the (1-NpOH)(6) clusters show relatively sharp origin bands. The structure of (1-NpOH)(3) was determined by comparison of the IR dip spectrum with the simulated one by DFT calculation, while those of (1-NpOH)(n) (n &gt;= 4) were discussed in terms of topological geometries of a hydrogen-bonded network. Those analyses suggest that (i) the (1-NpOH)(3) cluster has the cyclic structure where three 1-NpOH monomers are linked by both the hydrogen-bonding and the pi center dot center dot center dot C-H interaction between naphthyl rings and (ii) the (1-NpOH)(n) cluster with n &gt;= 4 is built up by attaching the 1-NpOH monomers to the (1-NpOH)(3) core.

    DOI: 10.1021/jp102849q

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  • Fragmentation Energetics of the Phenol+…Ar3 Cation Cluster 査読

    Antonio Armentano, Mikko Riese, Mehran Taherkhani, Med Ben Yezzar, Klaus M?ller-Dethlefs, Masaaki Fujii, Otto Dopfer

    The Journal of Physical Chemistry A   114 ( 42 )   11139 - 11143   2010年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1021/jp102491b

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  • Excited-State Triple-Proton Transfer in 7-Azaindole(H2O)(2) and Reaction Path Studied by Electronic Spectroscopy in the Gas Phase and Quantum Chemical Calculations 査読

    Kenji Sakota, Christophe Jouvet, Claude Dedonder, Masaaki Fujii, Hiroshi Sekiya

    JOURNAL OF PHYSICAL CHEMISTRY A   114 ( 42 )   11161 - 11166   2010年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    We have investigated the excited-state multiple-proton/hydrogen atom transfer reactions in the 7-azaindole water clusters, [7AI](H2O)(n) (n = 2,3), in the gas phase by combining electronic spectroscopy and quantum chemical calculations. The fluorescence excitation (FE) spectrum of 7AI(H2O)(2) has been observed by monitoring visible emission. In contrast, no vibronic bands are detected in the FE spectrum of 7AI(H2O)(3) when the visible emission is monitored. The dispersed fluorescence spectra of 7AI(H2O)(n) (n = 2,3) have been measured. The excitation of +180 cm(-1) band from the electronic origin of 7AI(H2O)(2) enhances the visible emission as compared with the 0-0 excitation. The +180 cm(-1) band is assgined to an intermolecular mode (sigma(1)) of the cyclic hydrogen-bonded ring structure. The calculated S-1-S-0 absorption spectrum for the cyclic hydrogen-bonded structure is in agreement with the FE spectrum around the 0-0 region. The excitation of sigma(1) significantly promotes the reaction and generates the tautomeric form of 7AI(H2O)(2). These experimental results on 7AI(H2O)(n) (n = 2,3) are very similar to those on 7AI(CH3OH)(n) (n = 2,3) and 7AI(C2H5OH)(n) (n = 2,3). We conclude that the excited-state triple proton/hydrogen atom transfer (ESTPT/HT) occurs in 7AI(H2O)(2). Cuts of the potential energy surfaces along the proton/hydrogen atom transfer coordinates of 7AI(H2O)(n) (n = 2,3) and 7AI(CH3OH)(n) (n = 2,3) are comparatively calculated by quantum chemistry calculations (RI-CC2/cc-pVDZ and TD-DFT(B3LYP)/cc-pVDZ) to explore the mechanism of the ESTPT/HT reaction. The calculated results suggest that concerted proton transfers occur in 7AI(H2O)(2) as well as in 7AI(CH3OH)(2), whereas the potential barrier for the excited-state quadruple proton transfer in 7AI(H2O)(3) and 7AI(CH3OH)(3) is higher than those for ESTPT. The theoretical results are consistent with the observation of ESTPT/HT in 7AI(H2O)(2).

    DOI: 10.1021/jp102733c

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  • Excited state hydrogen transfer dynamics in substituted phenols and their complexes with ammonia: ππ*-πσ* energy gap propensity and ortho-substitution effect 査読

    G. A. Pino, A. N. Oldani, E. Marceca, M. Fujii, S.-I. Ishiuchi, M. Miyazaki, M. Broquier, C. Dedonder, C. Jouvet

    The Journal of Chemical Physics   133 ( 12 )   124313-1 - 124313-12   2010年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1063/1.3480396

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  • レーザー多光子イオン化法を用いたモード走行中自動車排出ガスに関する個別成分のリアルタイム分析とOHラジカル反応性の評価

    松本 淳, 三澤 健太郎, 石内 俊一, 藤井 正明, 林 俊一, 田中 光太郎, 山田 裕之, 後藤 雄一

    大気環境学会誌 = Journal of Japan Society for Atmospheric Environment   45 ( 5 )   205 - 211   2010年8月

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    記述言語:日本語   出版者・発行元:大気環境学会  

    CiNii Books

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  • Dual Emission Caused by Ring Inversion Isomerization of a 4-Methyl-2-pyridyl-pyrimidine Copper(I) Complex 査読

    Michihiro Nishikawa, Kuniharu Nomoto, Shoko Kume, Keiichi Inoue, Makoto Sakai, Masaaki Fujii, Hiroshi Nishihara

    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   132 ( 28 )   9579 - 9581   2010年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    We developed a new convertible copper(I) complex using 2-pyridyl-4-methylpyrimidine and diphosphine as ligands. This complex exhibited mechanical bistability based on the inversion motion of the pyrimidine ring, leading to dual luminescence behavior. The inversion dynamics was strongly dependent on temperature and solvent. Variable-temperature H-1 NMR spectra revealed that the two isomers interconverted in solution via ring inversion, and the motion was frozen below 200 K. The complex exhibited characteristic CT absorption and emission bands in solution. Emission lifetime measurements demonstrated that the emission could be deconvoluted into two components. The fast and slow components were assigned to the two isomers, the excited states of which were characterized by different structural relaxation process and/or additional solvent coordination properties. The emission properties of the two isomers differed not only in lifetime and wavelength but also in heat sensitivity. The molar ratio of the two isomers varied with the polarity of the solvent via electrostatic interactions with the counteranion. The rate of inversion was affected by solvent, suggesting that inversion was promoted by solvent coordination.

    DOI: 10.1021/ja103718e

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  • Infrared imaging of an A549 cultured cell by a vibrational sum-frequency generation detected infrared super-resolution microscope 査読

    Satoshi Kogure, Keiichi Inoue, Tsutomu Ohmori, Miya Ishihara, Makoto Kikuchi, Masaaki Fujii, Makoto Sakai

    OPTICS EXPRESS   18 ( 13 )   13402 - 13406   2010年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:OPTICAL SOC AMER  

    We performed infrared (IR) spectroscopic imaging of molecular species in cultured cell interiors of A549 cells using in-house developed vibrational sum-frequency generation detected IR super-resolution microscope. The spatial resolution of this IR microscope was approximately 1.1 mu m, which exceeds the diffraction limit of IR light. Therefore, we clearly observed differences in the signal intensity at various IR wavelengths which appear to originate from the differing IR absorptions of specific vibrational modes, and reveal the distribution of molecular species in the single cell. These results were never imaged with the conventional IR microscope. (C) 2010 Optical Society of America

    DOI: 10.1364/OE.18.013402

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  • Evidence for Catechol Ring- Induced Conformational Restriction in Neurotransmitters 査読

    Haruhiko Mitsuda, Mitsuhiko Miyazaki, Iben B. Nielsen, Pierre Carcabal, Claude Dedonder, Christophe Jouvet, Shun-ichi Ishiuchi, Masaaki Fujii

    JOURNAL OF PHYSICAL CHEMISTRY LETTERS   1 ( 7 )   1130 - 1133   2010年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    In the neurotransmission process, a specific neurotransmitter binds to a specific receptor in a "key and lock" recognition process. Neurotransmitters, such as the catecholamines, are flexible molecules that can change their shape easily in principle. However, conformations of both the "key" and "lock" must be quite limited to achieve high selectivity. We have investigated the conformational diversity of catecholamines and related molecules by laser spectroscopy. Molecules of the tyrosine family, which contain a phenolic aromatic chromophore, exist as several conformers. In contrast, a single conformer is observed in dopa and other catecholamines, which contain two hydroxyl groups on the benzene moiety (catechol). This demonstrates that the presence of a catechol ring restricts significantly the number of stable conformations.

    DOI: 10.1021/jz100186h

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  • Development of a Non-scanning Vibrational Sum-Frequency Generation Detected Infrared Super-Resolution Microscope and Its Application to Biological Cells 査読

    Keiichi Inoue, Masaaki Fujii, Makoto Sakai

    APPLIED SPECTROSCOPY   64 ( 3 )   275 - 281   2010年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SOC APPLIED SPECTROSCOPY  

    We report single-cell infrared (IR) imaging of onion (Allium cepa) root cells using an IR super-resolution microscope based on vibrational sum-frequency generation (VSFG). The resolution of recorded IR images was less than 2 mu m and IR super-resolution was achieved by virtue of the VSFG detection. In addition, IR spectra measurements were successfully performed on distinct intra-cellular assemblies. The IR absorption intensity of the cell nuclear edge and the nucleolus in the 3055-3130 cm I region was stronger than that from the cytoplasmic part. This is because the cell nucleus and nucleolus contain larger amounts of nucleic acid. Thus, the obtained IR spectra reflect differences in chemical composition among different cellular structures. In addition, the ability of our novel IR super-resolution microscope to obtain distinct information on both VSFG and two-photon fluorescence is demonstrated.

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  • Development of a Non-scanning Vibrational Sum-Frequency Generation Detected Infrared Super-Resolution Microscope and Its Application to Biological Cells 査読

    Keiichi Inoue, Masaaki Fujii, Makoto Sakai

    APPLIED SPECTROSCOPY   64 ( 3 )   275 - 281   2010年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SOC APPLIED SPECTROSCOPY  

    We report single-cell infrared (IR) imaging of onion (Allium cepa) root cells using an IR super-resolution microscope based on vibrational sum-frequency generation (VSFG). The resolution of recorded IR images was less than 2 mu m and IR super-resolution was achieved by virtue of the VSFG detection. In addition, IR spectra measurements were successfully performed on distinct intra-cellular assemblies. The IR absorption intensity of the cell nuclear edge and the nucleolus in the 3055-3130 cm I region was stronger than that from the cytoplasmic part. This is because the cell nucleus and nucleolus contain larger amounts of nucleic acid. Thus, the obtained IR spectra reflect differences in chemical composition among different cellular structures. In addition, the ability of our novel IR super-resolution microscope to obtain distinct information on both VSFG and two-photon fluorescence is demonstrated.

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  • Visible-super-resolution infrared microscopy using saturated transient fluorescence detected infrared spectroscopy 査読

    Nandor Bokor, Keiichi Inoue, Satoshi Kogure, Masaaki Fujii, Makoto Sakai

    OPTICS COMMUNICATIONS   283 ( 3 )   509 - 514   2010年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    A scanning visible-super-resolution microscope based on the saturation behaviour of transient fluorescence detected infrared (TFD-IR) spectroscopy is proposed. A Gaussian IR beam, a Gaussian visible beam and a Laguerre-Gaussian (LG) visible beam are Used to obtain two separate two-color excitation fluorescence (2CF) images of the sample. The final image is obtained as the difference between the two recorded images. If the peak intensity of the LG beam is high enough to induce saturation in the fluorescence signal, the image can, in principle, have unlimited spatial resolution. A similar to 3-fold improvement in transverse resolution over the visible diffraction limit (and far exceeding the IR diffraction limit) is easily achievable in present experimental setups. (C) 2009 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.optcom.2009.10.032

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  • Spectroscopic Studies of a Sensory Rhodopsin I Homologue from the Archaeon Haloarcula vallismortis 査読

    Jin Yagasaki, Daisuke Suzuki, Kunio Ihara, Keiichi Inoue, Takashi Kikukawa, Makoto Sakai, Masaaki Fujii, Michio Homma, Hideki Kandori, Yuki Sudo

    BIOCHEMISTRY   49 ( 6 )   1183 - 1190   2010年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    Sensory rhodopsin 1 (SRI) functions as a dual receptor regulating both negative and positive phototaxis. It transmits light signals through changes in protein-protein interactions with its transducer protein, HtrI. The phototaxis function of Halobacterium salinarum SRI (HsSRI) has been well characterized using genetic and molecular techniques, whereas that of Salinibacter ruber SRI (SrSRI) has not. SrSRI has the advantage of high protein stability compared with HsSRI and, therefore, provided new Information about structural changes and Cl(-) binding of SRI. However, nothing is known about the functional role of SrSRI in phototaxis behavior. In this study, we expressed a SRI homologue from the archaeon Haloarcula vallismortis (Hi,SRI) as a recombinant protein which uses all-trans-retinal as a chromophore. Functionally important residues of HsSRI are completely conserved in Hi,SRI (unlike in SrSRI), and Hi,SRI is extremely stable in buffers without Cl(-). Taking advantage of the high stability, we characterized the photochemical properties of Hi,SRI under acidic and basic conditions and observed the effects of Cl- oil the protein under both conditions. Fourier transform infrared results revealed that the structural changes in HvSRI were quite similar to those in HsSRI and SrSRI. Thus, HvSRI can become a useful protein model for improving Our understanding of the molecular mechanism of the dual photosensing by SRI.

    DOI: 10.1021/bi901824a

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  • Corrigendum to “Effects of Chloride Ion Binding on the Photochemical Properties of Salinibacter Sensory Rhodopsin I” [J. Mol. Biol. (2009) 392, 48-61] 査読

    Daisuke Suzuki, Yuji Furutani, Keiichi Inoue, Takashi Kikukawa, Makoto Sakai, Masaaki Fujii, Hideki Kandori, Michio Homma, Yuki Sudo

    Journal of Molecular Biology   395 ( 1 )   220 - 221   2010年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1016/j.jmb.2009.10.046

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  • Measurement of adiabatic ionization energies of the rotational isomers of n-propylbenzene and m-fluorophenol by direct VUV laser photoionization 査読

    Hirokazu Watanabe, Shun-Ichi Ishiuchi, Kentaro Misawa, Mitsuhiko Miyazaki, Jonathan R. Woodward, Masaaki Fujii

    CHEMICAL PHYSICS LETTERS   485 ( 1-3 )   31 - 35   2010年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Direct photoionization of supersonic jet-cooled n-propylbenzene and m-fluorophenol was observed using a tunable VUV laser fitted with a custom-made 4-prism wavelength separator. Distinct ionization thresholds were readily measured for the two stable rotational isomers in each case, and the adiabatic ionization energies were determined to be 70 410 cm(-1) and 70 269 cm(-1) for the gauche and trans forms of n-propylbenzene and 70 193 cm(-1) and 70 451 cm(-1) for the cis and trans isomers of m-fluorophenol, respectively. These values are in excellent agreement with literature values determined from two-color (1 + 1&apos;) REMPI experiments and demonstrate the utility of the tunable VUV system in the study of photoionization processes in molecular beam experiments. (C) 2009 Published by Elsevier B. V.

    DOI: 10.1016/j.cplett.2009.12.023

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  • Simultaneous measurements of aromatic hydrocarbons in exhaust using a laser ionization method 査読

    Hiroyuki Yamada, Kentaro Misawa, Masaaki Fujii, Koichi Tanaka, Daisuke Suzuki, Jun Matsumoto, Kotaro Tanaka

    SAE International Journal of Engines   2 ( 2 )   226 - 234   2010年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    A simultaneous multi-composition analyzing (SMCA) resonance enhanced multi-photon ionization (REMPI) system was used to investigate gasoline engine exhaust. Observed peaks for exhaust were smaller mass numbers than those from diesel exhaust. However, large species up to three ring aromatics were observed suggesting that soot precursor forms even in the gasoline engine. At low catalyst temperature condition, the reduction efficiencies of a three-way catalyst were higher for higher mass numbers. This result indicates that the larger species accumulate in the catalyst or elsewhere due to their lower vapor pressures. To evaluate the emission of low volatility species, the accumulation should be taken into account. In the hot mode, reduction efficiencies for aromatic species of three-way catalyst were almost 99.5% however, they fall to 70% in the cold start condition. © 2009 SAE International.

    DOI: 10.4271/2009-01-2742

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  • Simultaneous measurements of aromatic hydrocarbons in exhaust using a laser ionization method 査読

    Hiroyuki Yamada, Kentaro Misawa, Masaaki Fujii, Koichi Tanaka, Daisuke Suzuki, Jun Matsumoto, Kotaro Tanaka

    SAE International Journal of Engines   2 ( 2 )   226 - 234   2010年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    A simultaneous multi-composition analyzing (SMCA) resonance enhanced multi-photon ionization (REMPI) system was used to investigate gasoline engine exhaust. Observed peaks for exhaust were smaller mass numbers than those from diesel exhaust. However, large species up to three ring aromatics were observed suggesting that soot precursor forms even in the gasoline engine. At low catalyst temperature condition, the reduction efficiencies of a three-way catalyst were higher for higher mass numbers. This result indicates that the larger species accumulate in the catalyst or elsewhere due to their lower vapor pressures. To evaluate the emission of low volatility species, the accumulation should be taken into account. In the hot mode, reduction efficiencies for aromatic species of three-way catalyst were almost 99.5% however, they fall to 70% in the cold start condition. © 2009 SAE International.

    DOI: 10.4271/2009-01-2742

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  • Time-resolved measurements of low concentration aromatic hydrocarbons in diesel exhaust using a resonance enhanced multi-photon ionization method 査読

    K. Misawa, K. Tanaka, H. Yamada, Y. Goto, J. Matsumoto, Y. Yamato, S. Ishiuchi, M. Fujii, K. Tanaka, K. Endo, S. Hayashi

    INTERNATIONAL JOURNAL OF ENGINE RESEARCH   10 ( 6 )   409 - 417   2009年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SAGE PUBLICATIONS LTD  

    Time-resolved measurements of the concentration of volatile organic compounds (VOCs) and polycyclic aromatic hydrocarbons (PAHs) in exhaust from a diesel vehicle fitted with an oxidation catalyst and operated in JE05 mode are performed at a sensitivity of 10ppb using a supersonic jet/resonance enhanced multi-photon ionization (jet-REMPI) method. The concentrations of benzene, naphthalene, and phenol in exhaust from the test vehicle are measured before entering and after exiting from the oxidation catalyst. The total hydrocarbon (THC) is measured simultaneously using a constant volume sample (CVS) instrument fitted with a flame ionization detector (FID). Concentration changes of benzene, naphthalene and phenol are recorded at 1 s intervals and quantified using standard samples. Comparison of these signals with the real-time THC data shows that the time dependence of the individual species is almost the same as that of the THC before the oxidation catalyst but substantially different after.

    DOI: 10.1243/14680874JER03909

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  • Super-Resolution Infrared Microspectroscopy for Single Cells 査読

    Makoto Sakai, Keiichi Inoue, Masaaki Fujii

    Molecular Nano Dynamics: Vol. I: Spectroscopic Methods and Nanostructures / Vol. II: Active Surfaces, Single Crystals and Single Biocells   2   571 - 588   2009年11月

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    記述言語:英語   掲載種別:論文集(書籍)内論文   出版者・発行元:John Wiley and Sons  

    DOI: 10.1002/9783527627820.ch29

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  • 「生体分子機能解明に向けた最新レーザー計測法」特集号によせて

    藤井 正明

    レーザー研究   37 ( 10 )   728 - 728   2009年10月

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    記述言語:日本語   出版者・発行元:The Laser Society of Japan  

    DOI: 10.2184/lsj.37.728

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  • Characterization of a Signaling Complex Composed of Sensory Rhodopsin I and Its Cognate Transducer Protein from the Eubacterium Salinibacter ruber 査読

    Yuki Sudo, Akiko Okada, Daisuke Suzuki, Keiichi Inoue, Hiroki Irieda, Makoto Sakai, Masaaki Fujii, Yuji Furutani, Hideki Kandori, Michio Homma

    BIOCHEMISTRY   48 ( 42 )   10136 - 10145   2009年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    Sensory rhodopsin I (SRI) exists in the cell membranes of microorganisms such as the archaeon Halobacterium salinarum and is a photosensor responsible for positive and negative phototaxis. SRI forms a signaling complex with its cognate transducer protei HtrI, in the membrane. That complex transmits light signals to the flagellar motor through changes in protein-protein interactions with the kinase CheA and the adaptor protein CheW, which controls the direction of the rotation of the flagellar motor. Recently, we cloned and characterized Salinibacter sensory rhodopsin I (SrSRI), which is the first SRI-like protein identified in eubacteria [Kitajima-Ihara, T., et al. (2008) J. Biol. Chem. 283, 23533-23541]. Here we cloned and expressed SrSRI with its full-length transducer protein, SrHtrI, as a fusion construct. We succeeded in producing the complex in Escherichia coli as a recombinant protein with high quality having all-trans-retinal as a chromophore for SRI, although the expression level was low (0.10 mg/L of culture). In addition, we report here the photochemical properties of the SrSRI-SrHtrI complex using time-resolved laser flash spectroscopy and other spectroscopic techniques and compare them to SrSRI without SrHtrI.

    DOI: 10.1021/bi901338d

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  • 細胞内部可視化を目指した赤外超解像顕微分光法の開発 査読

    酒井 誠, 井上 圭一, 藤井 正明

    レーザー研究   37 ( 10 )   729 - 733   2009年10月

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    掲載種別:研究論文(学術雑誌)  

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  • レーザーイオン化 法による自動車排出ガスのリアルタイム質量分析(第1報) ―多成分同時分析装置の開発― // Real-time Mass Spectrometry of Exhaust Gas from Automobiles Utilizing Laser Ionization (First Report) ―Development of Simultaneous Analyzer of Multicomponents― 査読

    三澤 健太郎, 田中 光太郎, 田中 康一, 松本 淳, 石内 俊一, 齊川 次郎, 林 俊一, 藤井 正明, 柏木 隆宏, 中川 潤, 遠藤 克己, 渡辺 敬太郎, 山田 裕之, 後藤 雄一, Kentaro Misawa, Kotaro Tanaka, Koichi Tanaka, Jun Matsumoto, Shun-ichi Ishiuchi, Jiro Saikawa, Shun-ichi Hayashi, Masaaki Fujii, Takahiro Kashiwagi, Jun Nakagawa, Katsumi Endo, Keitaro Watanabe, Hiroyuki Yamada, Yuichi Goto

    自動車技術会論文集   40 ( 5 )   1333 - 1338   2009年9月

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    掲載種別:研究論文(学術雑誌)  

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  • レーザーイオン化法による自動車排出ガスのリアルタイム質量分析(第2報) ―モード走行時の排出傾向― // Real-time Mass Spectrometry of Exhaust Gas from Automobiles Utilizing Laser Ionization (Second Report) ―Emission Trends in Driving Mode― 査読

    田中 光太郎, 三澤 健太郎, 田中 康一, 松本 淳, 石内 俊一, 齊川 次郎, 藤井 正明, 林 俊一, 柏木 隆宏, 中川 潤, 遠藤 克己, 渡辺 敬太郎, 山田 裕之, 後藤 雄一, Kotaro Tanaka, Kentaro Misawa, Koichi Tanaka, Jun Matsumoto, Shun-ichi Ishiuchi, Jiro Saikawa, Masaaki Fujii, Shun-ichi Hayashi, Takahiro Kashiwagi, Jun Nakagawa, Katsumi Endo, Keitaro Watanabe, Hiroyuki Yamada, Yuichi Goto

    自動車技術会論文集   40 ( 5 )   1339 - 1344   2009年9月

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    掲載種別:研究論文(学術雑誌)  

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  • Effects of Chloride Ion Binding on the Photochemical Properties of Salinibacter Sensory Rhodopsin I 査読

    Daisuke Suzuki, Yuji Furutan, Keiichi Inoue, Takashi Kikukawa, Makoto Sakai, Masaaki Fujii, Hideki Kandori, Michio Homma, Yuki Sudo

    JOURNAL OF MOLECULAR BIOLOGY   392 ( 1 )   48 - 62   2009年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD  

    Microbial organisms utilize light not only as energy sources but also as signals by which rhodopsins (containing retinal as a chromophore) work as photoreceptors. Sensory rhodopsin I (SRI) is a dual photoreceptor that regulates both negative and positive phototaxis in microbial organisms, such as the archaeon Halobacterium salinarum and the eubacterium Salinibacter ruber. These organisms live in highly halophilic environments, suggesting the possibility of the effects of salts on the function of SRI. However, such effects remain unclear because SRI proteins from H. salinarum (HsSRI) are unstable in dilute salt solutions. Recently, we characterized a new SRI protein (SrSRI) that is stable even in the absence of salts, thus allowing us to investigate the effects of salts on the photochemical properties of SRI. In this study, we report that the absorption maximum of SrSRI is shifted from 542 to 556 nm in a Cl(-)-dependent manner with a K(m) of 307 +/- 56 mM, showing that Cl(-)-binding sites exist in SRI. The bathochromic shift was caused not only by NaCl but also by other salts (NaI, NaBr, and NaNO(3)) implying that I(-), Br(-), and NO(3)(-) can also bind to SrSRI. In addition, the photochemical properties during the photocycle are also affected by chloride ion binding. Mutagenesis studies strongly suggested that a conserved residue, His131, is involved in the Cl(-)-binding site. In light of these results, we discuss the effects of the Cl(-) binding to SRI and the roles of Cl(-) binding in its function. (C) 2009 Elsevier Ltd. All rights reserved.

    DOI: 10.1016/j.jmb.2009.06.050

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  • Two-point-separation in a sub-micron nonscanning IR super-resolution microscope based on transient fluorescence detected IR spectroscopy 査読

    Keiichi Inoue, Nandor Bokor, Satoshi Kogure, Masaaki Fujii, Makoto Sakai

    OPTICS EXPRESS   17 ( 14 )   12013 - 12018   2009年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:OPTICAL SOC AMER  

    IR absorption of chemical species in microscopic objects such as biological cells cannot be measured by conventional IR microscopes, because of their low resolution. To overcome this problem, we developed a novel far-field IR super-resolution microscope employing transient fluorescence detected IR spectroscopy. The resolution of this microscope was shown to be 880 nm by measuring the image of 1 mu m fluorescent beads. Furthermore, it succeeded in resolving beads located 1.4 mu m apart from each other. This is considerably smaller than the diffraction limit of the applied IR light (3.4 mu m). These results suggest the capability of our microscope to study sub-micron targets such as sub-cellular structures of biological cells. (C) 2009 Optical Society of America

    DOI: 10.1364/OE.17.012013

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  • 過渡蛍光検出赤外分光による超解像イメージング 査読

    酒井 誠, 井上 圭一, 藤井 正明

    光学   38 ( 7 )   344 - 349   2009年7月

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    掲載種別:研究論文(学術雑誌)  

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  • IR spectra of resorcinol+-Arn cluster cations (n = 1, 2): Evidence for photoionization-induced π → H isomerization 査読

    Alexander Patzer, Judith Langer, Harald Knorke, Helge Neitsch, Otto Dopfer, Mitsuhiko Miyazaki, Kaori Hattori, Akihiro Takeda, Shun-ichi Ishiuchi, Masaaki Fujii

    Chemical Physics Letters   474 ( 1-3 )   7 - 12   2009年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1016/j.cplett.2009.04.030

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  • 蛍光検出を利用した赤外超解像顕微鏡法によるA549細胞の測定 査読

    大森 努, 井上 圭一, 酒井 誠, 藤井 正明, 石原 美弥, 菊地 眞

    日本レーザー医学会誌   30 ( 4 )   427 - 434   2009年4月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Japan Society for Laser Surgery and Medicine  

    2波長赤外超解像顕微鏡法は蛍光顕微鏡と同等の解像度(<1μm)で赤外吸収を画像化可能な方法である.この方法の細胞分析法としての可能性を示すため,A549細胞内部の赤外吸収(波長~3μm)検出を試みた.蛍光染色したA549細胞では蛍光分子を結合したタンパク質の赤外吸収の検出に成功した.非染色A549細胞では自家蛍光を利用してフラビン分子の赤外吸収の検出に成功した.本手法は分子構造による細胞の生化学分析が可能であり,細胞選別などへの応用も期待される.

    DOI: 10.2530/jslsm.30.427

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  • 高出力,広帯域波長可変,高分解能中赤外光線の開発と赤外・紫外二重共鳴分光への応用 査読

    宮? 充彦, 斎川 次郎, 藤井 正明, 石月 秀貴, 平等 拓範

    レーザー研究   37 ( 4 )   296 - 303   2009年4月

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    掲載種別:研究論文(学術雑誌)  

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  • Two-point-separation in a Sub-micron Nonscanning IR Super-resolution Microscope Based on Transient Fluorescence Detected IR Spectroscopy 査読

    Keiichi Inoue, Nándor Bokor, Satoshi Kogure, Masaaki Fujii, Makoto Sakai

    Virtual Journal for Biomedical Optics   4 ( 9 )   2009年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

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  • 細胞内部を分子レベルで観察するための赤外超解像顕微鏡の開発

    酒井 誠, 井上 圭一, 藤井 正明

    電気学会研究会資料. OQD, 光・量子デバイス研究会   2009 ( 1 )   19 - 23   2009年2月

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    記述言語:日本語  

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  • In Situ, Fast-response, Molecular-selective Methods for Measuring Emission Factors of Volatile Organic Compounds (VOCs) into the Atmosphere 査読

    Jun Matsumoto, Kentaro Misawa, Shun-ichi Ishiuchi, Masaaki Fujii

    CHEMISTRY LETTERS   38 ( 1 )   74 - 75   2009年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:CHEMICAL SOC JAPAN  

    A sensitive, real-time, and molecular-selective analyzer using a resonance-enhanced multiphoton ionization/time-of-flight mass spectrometer (REMPI-TOFMS) was combined with the chamber method to measure emission factors of VOCs during painting. Temporal variation of VOC emission was successfully captured on site on a second time scale. Exact and detailed assessment of emission is realized with molecular-dependent characteristics considered.

    DOI: 10.1246/cl.2009.74

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  • Isomer selective infrared spectroscopy of supersonically cooled cis- and trans-N-phenylamides in the region from the amide band to NH stretching vibration 査読

    Mitsuhiko Miyazaki, Jiro Saikawa, Hideki Ishizuki, Takunori Taira, Masaaki Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   11 ( 29 )   6098 - 6106   2009年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    We measured the infrared (IR) spectra of supersonically cooled N-phenylformamide (formanilide) and N-phenylacetamide (acetanilide) in the amide band and X-H stretch vibration regions by using IR-UV depletion spectroscopy combined with a newly developed mid-IR light source based on difference frequency generation in ZnGeP(2). The two rotational isomers, cis- and trans- of the amide group were separately monitored to record the IR spectra. Both of the conformers showed similar features in the amide I and II regions, while major differences of the isomers appeared in the amide III vibration region. The IR spectrum of trans-acetanilide closely resembles that of trans-formanilide, except for vibrations of the methyl group; that is, substitution of the formyl hydrogen to a methyl group has only a minor effect on the amide vibrations.

    DOI: 10.1039/b822310f

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  • 自家蛍光を用いた2波長赤外超解像顕微鏡法による単一細胞赤外イメージング

    大森努, 井上圭一, 酒井誠, 藤井正明, 石原美弥, 菊地眞

    第48回日本生体医工学会大会プログラム・論文集(CD-ROM)   87 - 87   2009年

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  • Functional imaging of a single cell: Far-field infrared superresolution microscopy using auto-fluorescence detection 査読

    Tsutomu Ohmori, Keiichi Inoue, Makoto Sakai, Masaaki Fujii, Miya Ishihara, Makoto Kikuchi

    Progress in Biomedical Optics and Imaging - Proceedings of SPIE   7182   2009年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)  

    We demonstrated cell imaging without any stain by far-field 2-color infrared (IR) super-resolution microscopy, combining laser fluorescence microscope and picosecond transient fluorescence detected IR (TFD-IR) spectroscopy. TFD-IR spectroscopy detects IR absorption by monitoring fluorescence due to an electronic transition from a vibrational excited level by an additional visible light. By using the IR microscopy based on TFD-IR spectroscopy, the spatial resolution of the image can be increased to the visible diffraction limit of sub-μ m, i.e., the IR is super-resolved. Cell auto-fluorescence due to flavin molecules was monitored for label-free detection of the cellular components. The fluorescence image of an A549 cell was obtained by introducing both an IR light at 3300 nm and a visible light at 560 nm. The spatial resolution of the image was estimated to be 1.6 μ m. This is about 2.5-times higher resolution than the diffraction limit of IR light. The fluorescence intensity of the images at 3448 nm was smaller than that at 3300 nm, corresponding to the smaller IR absorption. Therefore, IR spectral imaging of a single cell was achieved with superresolution. © 2009 SPIE.

    DOI: 10.1117/12.808903

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  • Functional Imaging of a Single Cell: Far-field Infrared Super-resolution Microscopy Using Auto-fluorescence Detection 査読

    Tsutomu Ohmori, Keiichi Inoue, Makoto Sakai, Masaaki Fujii, Miya Ishihara, Makoto Kikuchi

    IMAGING, MANIPULATION, AND ANALYSIS OF BIOMOLECULES, CELLS, AND TISSUES VII   7182 ( 71820G )   1 - 6   2009年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)   出版者・発行元:SPIE-INT SOC OPTICAL ENGINEERING  

    We demonstrated cell imaging without any stain by far-field 2-color infrared (IR) super-resolution microscopy, combining laser fluorescence microscope and picosecond transient fluorescence detected IR (TFD-IR) spectroscopy. TFD-IR spectroscopy detects IR absorption by monitoring fluorescence due to an electronic transition from a vibrational excited level by an additional visible light. By using the IR microscopy based on TFD-IR spectroscopy, the spatial resolution of the image can be increased to the visible diffraction limit of sub-mu m, i.e., the IR is super-resolved. Cell auto-fluorescence due to flavin molecules was monitored for label-free detection of the cellular components. The fluorescence image of an A549 cell was obtained by introducing both an IR light at 3300 nm and a visible light at 560 nm. The spatial resolution of the image was estimated to be 1.6 mu m. This is about 2.5-times higher resolution than the diffraction limit of IR light. The fluorescence intensity of the images at 3448 nm was smaller than that at 3300 nm, corresponding to the smaller IR absorption. Therefore, IR spectral imaging of a single cell was achieved with super-resolution.

    DOI: 10.1117/12.808903

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  • Simultaneous measurements of the components of VOCs and PAHs in diesel exhaust gas using a laser ionization method 査読

    Kotaro Tanaka, Keitaro Watanabe, Hiroyuki Yamada, Yuichi Goto, Kentaro Misawa, Jun Matsumoto, Shunichi Ishiuchi, Masaaki Fujii, Koichi Tanaka, Jun Nakagawa, Katsumi Endo, Shunichi Hayashi

    SAE Technical Papers   2009-01-1842   2009年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)  

    A simple real-time measurement system for the components of volatile organic compounds (VOCs) and polyaromatic hydrocarbons (PAHs) in automobile exhaust gas using a laser ionization method was developed. This method was used to detect VOCs and PAHs in the exhaust gas of a diesel truck while idling, at 60 km/h, and in the Japanese driving mode JE05. As a result, various VOCs and PAHs, such as xylene and naphthalene, were simultaneously detected, and real-time changes in their concentration were obtained at 1 s intervals. Copyright © 2009 SAE International.

    DOI: 10.4271/2009-01-1842

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  • Real-time analysis of benzene in exhaust gas from driving automobiles using Jet-REMPI method 査読

    Kentaro Misawa, Shun-Ichi Ishiuchi, Masaaki Fujii, Jun Matsumoto, Koichi Tanaka, Jun Nakagawa, Katsumi Endo, Shun-Ichi Hayashi, Kotaro Tanaka, Hiroyuki Yamada, Yuichi Goto

    SAE Technical Papers   2009-01-2740   2009年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)  

    Real-time analysis of benzene in automobile exhaust gas was performed using the Jet-REMPI (supersonic jet / resonance enhanced multi-photon ionization) method. Real-time benzene concentration of two diesel trucks and one gasoline vehicle driving in Japanese driving modes were observed under ppm level at 1 s intervals. As a result, it became obvious that there were many differences in their emission tendencies, because of their car types, driving conditions, and catalyst conditions. In two diesel vehicle, benzene emission tendencies were opposite. And, in a gasoline vehicle, emission pattern were different between hot and cold conditions due to the catalyst conditions. Copyright © 2009 SAE International.

    DOI: 10.4271/2009-01-2740

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  • Plugging a Molecular Wire into Photosystem Ι: Reconstitution of the Photoelectric Conversion System on a Gold Electrode 査読

    Nao Terasaki, Noritaka Yamamoto, Takashi Hiraga, Yoshnori Yamanoi, Tetsu Yonezawa, Hiroshi Nishihara, Tsutomu Ohmori, Makoto Sakai, Masaaki Fujii, Akihiro Tohri, Masako Iwai, Isao Enami, Yasunori Inoue, Satoshi Yoneyama, Makoto Minakata

    Angewandte Chemie International Edition   48 ( 9 )   1585 - 1587   2009年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1002/anie.200805748

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  • Resonance-enhanced Multiphoton Ionization Spectroscopy of the S-1-S-0 Transition of Benzo[e]pyrene for Real-time Analysis 査読

    Kentaro Misawa, Jun Matsumoto, Norihiro Tsuji, Yoichi Matsuzaki, Shun-ichi Hayashi, Masaaki Fujii

    CHEMISTRY LETTERS   37 ( 12 )   1280 - 1281   2008年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:CHEMICAL SOC JAPAN  

    The electronic spectrum of benzo[e]pyrene (BeP) was recorded using resonance-enhanced multi-photon ionization (REMPI) spectroscopy. A number of bands were observed and assigned to the origin band and vibronic bands of the S-1-S-0 transition. Ab initio calculations were performed to assign the vibrational structures in S-1. The origin band of BeP is well separated in energy from the origin band of benzo[a]pyrene (BaP), an isomer of BeP, and so BeP and BaP can be readily distinguished by the REMPI method, despite having the same mass.

    DOI: 10.1246/cl.2008.1280

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  • Vibrational Signature of the Conformers in Tyramine Studied by IR Dip and Dispersed Fluorescence Spectroscopies 査読

    Koji Makara, Kentaro Misawa, Mitsuhiko Miyazaki, Haruhiko Mitsuda, Shun-ichi Ishiuchi, Masaaki Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   112 ( 51 )   13463 - 13469   2008年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    Dispersed fluorescence and IR dip spectra of seven conformers of tyramine were measured in a supersonic jet. Observed vibrational bands are assigned based on quantum chemical calculations. The vibrational frequency of out-of-plane CH bending in the benzene ring shows characteristic shifts according to the conformation of C(beta)-C(alpha), while that of CH stretching in the methylene chain reflects the conformation of N-C(beta). From these vibrational frequencies, assignments of the conformers observed in the S(1)-S(0) laser induced fluorescence spectrum are discussed.

    DOI: 10.1021/jp806232x

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  • The most stable conformer of benzyl alcohol 査読

    Benjamin J. Miller, Henrik G. Kjaergaard, Kaori Hattori, Shun-ichi Ishiuchi, Masaaki Fujii

    CHEMICAL PHYSICS LETTERS   466 ( 1-3 )   21 - 26   2008年11月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    We have recorded room temperature OH stretching overtone spectra of benzyl alcohol in the second and third overtone regions and jet-cooled OH stretching spectra in the fundamental and third overtone region. The spectra were recorded using photoacoustic and nonresonant ionization techniques, respectively. The spectra are characterized by a single band for each OH stretching overtone region suggesting the existence of one dominant stable conformer. In addition, our mass selected resonance enhanced multi photon ionization spectrum shows only one origin band. Ab initio calculations for benzyl alcohol yielded a lowest energy conformer adopting a gauche cis conformation around the alcoholic group, which is supported by our calculated OH stretching intensities. (C) 2008 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.cplett.2008.10.028

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  • Electronic spectra of 7-azaindole/ammonia clusters and their photochemical reactivity 査読

    Yuna Koizumi, Christophe Jouvet, Tsuji Norihiro, Shun-ichi Ishiuchi, Claude Dedonder-Lardeux, Masaaki Fujii

    JOURNAL OF CHEMICAL PHYSICS   129 ( 10 )   104311-1 - 104311-10   2008年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    The S-1-S-0 electronic spectra of 7-azaindole-(NH3)(n) clusters (n=1-3) were measured by mass-selected two-color resonance-enhanced multiphoton ionization spectroscopy. The laser-induced fluorescence spectrum obtained by monitoring the UV fluorescence shows well-structured vibrational bands for the monomer and 7-azaindole-(NH3)(1,2) clusters, while no signals appear for the 7-azaindole-(NH3)(3) cluster. The action spectrum obtained by monitoring visible emission shows no signal for all species, which suggests little reactivity for excited-state proton/hydrogen transfer. From the observed and calculated IR spectra, the geometry of 7-azaindole-(NH3)(1,2) was concluded to be a hydrogen-bonded bridge form, which is similar to the photochemically reactive 7-hydroxyquinoline-(NH3)(3) cluster. The difference in the photochemical reactivity is discussed on the basis of excited-state quantum chemical calculations. (c) 2008 American Institute of Physics.

    DOI: 10.1063/1.2970936

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  • 2波長レーザー分光に基づく超解像光学顕微鏡の開発 査読

    藤井 正明

    Japan Intense Light Field Science Society (JILS) Newsletter   44   1 - 18   2008年8月

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    掲載種別:研究論文(学術雑誌)  

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  • 超臨界流体ジェット分光法の開発と高次系分子分光への応用 査読

    石内 俊一, 藤井 正明

    分光研究   57 ( 4 )   158 - 167   2008年8月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:The Spectroscopical Society of Japan  

    We developed a supercritical fluid jet technique, which enables the vaporization and the jet-cooling of non-vola-tile molecules by supersonic expansion of their supercritical solutions to vacuum directly. For its purpose, a new high-pressure pulsed valve was developed. By using this pulsed valve, we could introduce the high-pressure fluid. over 25MPa into vacuum as a short gaseous pulse, and confirmed that we can obtain an enough jet-cooling condi-tion. In this review, we will introduce a detail of the high-pressure pulsed valve and its application for the super-critical fluid jet spectroscopy.

    DOI: 10.5111/bunkou.57.158

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  • 光の研究コミュニティ-技術進展を支える光関連研究会/グループ ―第60回(社)日本分光学会 生細胞分光部会 査読

    藤井 正明

    OPTRONICS   27 ( 320 )   144 - 145   2008年8月

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    掲載種別:研究論文(学術雑誌)  

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  • High-energy, broadly tunable, narrow-bandwidth mid-infrared optical parametric system pumped by quasi-phase-matched devices 査読

    Jiro Saikawa, Mitsuhiko Miyazaki, Masaaki Fujii, Hideki Ishizuki, Takunori Taira

    OPTICS LETTERS   33 ( 15 )   1699 - 1701   2008年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:OPTICAL SOC AMER  

    We have developed a tunable, narrow-bandwidth (< 2 cm(-1)) mid-infrared (MIR) optical parametric system with a large-aperture periodically poled Mg-doped LiNbO3 (LA-PPMgLN)-based high-energy pump source. The system has a continuously tunable tuning range from 4.6 to 11.2 mu m and produces a maximum output energy of 2.0 mJ at 5.1 mu m. Practical use of the MIR source is demonstrated by MIR-UV double-resonance spectroscopy of jet-cooled acetanilide. (c) 2008 Optical Society of America.

    DOI: 10.1364/OL.33.001699

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  • Demonstration of super-resolution microscopy using a high numerical-aperture oil-immersion objective lens 査読

    Yoshinori Iketaki, Takeshi Watanabe, Nándor Bokor, Masaaki Fujii

    e-Journal of Surface Science and Nanotechnology   6   175 - 179   2008年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    We demonstrated super-resolution microscopy using a high numerical aperture (NA) oil immersion lens in acute optical alignment condition. In super-resolution microscopy, the pump beam is overlapped together with a doughnut-shaped erase beam in the focal plane, and fluorescence emission from the overlapping area is prevented. Alignment accuracy of these two beams determines the image properties of the microscope. Scanning fluorescence micro-beads in the focal plane, we confirmed the beam shape and its center position for the pump and erase beams respectively. Owing to the adjustment, we achieved a point-spread function with FWHM finer than 100 nm at least, which is predicted by the theory of super-resolution microscopy. © 2008 The Surface Science Society of Japan.

    DOI: 10.1380/ejssnt.2008.175

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  • Compact fluorescence depletion microscope system using an integrated optical element 査読

    Nandor Bokor, Yoshinori Iketaki, Takeshi Watanabe, Masaaki Fujii

    OPTICS COMMUNICATIONS   281 ( 7 )   1850 - 1854   2008年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The performance of a fluorescence depletion microscope system depends critically on the precise alignment of both the pump and the erase beams with the axis of the focusing objective lens. In this article we propose a technique with which the need for separate alignment of the pump and erase beams is eliminated. Besides being insensitive to alignment errors, our technique is much more compact than present systems, and can serve as a basis for a commercial fluorescence depletion microscope. (C) 2007 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.optcom.2007.05.069

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  • 環境負荷物質分析のための高感度オンラインレーザーイオン化質量分析装置の開発 査読

    林 俊一, 鈴木 哲也, 石内 俊一, 藤井 正明

    分析化学   57 ( 4 )   227 - 237   2008年4月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.2116/bunsekikagaku.57.227

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  • 基礎研究者がする応用研究 査読

    藤井 正明

    Molecular Science   2 ( A0026 )   A0026   2008年4月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Japan Society for Molecular Science  

    Resonant enhanced multiphoton ionization spectroscopy with a supersonic jet is an established method for molecular science. This familiar tool has an another possibility for chemical analysis by its resonant effect; real-time, highly sensitive analysis without pretreatment. The real-time chemical analysis is demonstrated for benzene in the automobile exhaust gas. Further extension to the history analyzer for a single suspended particulate matter is also introduced briefly.

    DOI: 10.3175/molsci.2.A0026

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  • Development of high sensitive on-line laser ionization mass spectrometer for environmental hazardous organic compounds 査読

    Shun-ichi Fiayashi, Tetsuya Suzuki, Shun-ichi Ishiuchi, Masaaki Fujii

    BUNSEKI KAGAKU   57 ( 4 )   227 - 237   2008年4月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:JAPAN SOC ANALYTICAL CHEMISTRY  

    For monitoring of hazardous organic compounds, we have been developing an on-line analytical instrument based on a supersonic jet resonance enhanced multi-photon ionization (REMPI) mass spectrometry. We have attempted to apply this technique to monitor transient emission phenomena of hazardous organic compounds in exhaust gas. It has been proven to be possible to conduct real-time monitoring of gaseous compounds in the atmosphere by our instrument with continuous sample introduction. We demonstrated that the signals of monochlorobenzene in a chimney could be detected. Also the delay time between gas emission and detection through a 23 m long stainless-steel pipe kept at 200 degrees Celsius was 150 seconds. It was proven that there were two different kinds of emission mechanisms of monochlorobenzene in the chimney.

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  • 超高感度レーザー分析の最前線=分子選択的リアルタイム高感度分析= 査読

    三澤 健太郎, 松本 淳, 石内 俊一, 藤井 正明, 林 俊一

    光アライアンス   19 ( 3 )   48 - 52   2008年3月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:日本工業出版  

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  • 2波長超解像光学顕微鏡 査読

    藤井 正明

    化学と工業   61 ( 2 )   115 - 118   2008年2月

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    掲載種別:研究論文(学術雑誌)  

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  • 2波長レーザー分光法に基づく超解像光学顕微鏡の開発 査読

    酒井 誠, 井上 圭一, 藤井 正明

    機能材料   28 ( 2 )   22 - 27   2008年2月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:シーエムシー出版  

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  • 共鳴多光子イオン化法を用いた排出ガス中の微量成分の前処理なしリアルタイム分析(2) ―モード走行時の排出量変動― // Real-time and Direct Analysis of Pollutants in Exhaust Gas Utilizing Resonance Enhanced multi-photon ionization (2) ―Variations of Emissions Under Test Driving Modes― 査読

    Kentaro Misawa, Jun Matsumoto, Yohei Yamato, Saori Mae, Shun-ichi Ishiuchi, Masaaki Fujii, Koichi Tanaka, Tetsuya Suzuki, Shun-ichi Hayashi, Hiroyuki Yamada, Yuichi Goto

    Review of Automotive Engineering   29 ( 1 )   123 - 125   2008年1月

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    掲載種別:研究論文(学術雑誌)  

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  • 共鳴多光子イオン化法を用いた排出ガス中の微量成分の前処理なしリアルタイム分析(1) ―実ガス定量システムの確立― // Real-time and Direct Analysis of Pollutants in Exhaust Gas Utilizing Resonance Enhanced multi-photon ionization (1) ―Monitoring System for Realgas Sample― 査読

    Jun Matsumoto, Kentaro Misawa, Yohei Yamato, Saori Mae, Shun-ichi Ishiuchi, Masaaki Fujii, Koichi Tanaka, Tetsuya Suzuki, Shun-ichi Hayashi, Hiroyuki Yamada, Yuichi Goto

    Review of Automotive Engineering   29 ( 1 )   119 - 121   2008年1月

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  • Synthesis of Pd complexes directly linked to the light-absorbing [(bpy)(3)Ru](2+) unit and their photochemical reactions toward styrenes 査読

    Akiko Inagaki, Hiroki Nakagawa, Munetaka Akita, Keiichi Inoue, Makoto Sakai, Masaaki Fujii

    DALTON TRANSACTIONS   2008 ( 47 )   6709 - 6723   2008年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    A series of bipyridyl-Pd and Rh complexes containing a [(bpy)(3)Ru](2+) or [(bpy)(2)Ru(phen)](2+) (bpy = 2,2&apos;-bipyridyl, phen = 1,10-phenanthroline) moiety as visible-light absorbing unit was synthesized. The complexes were synthesized via a Suzuki-Miyaura coupling reaction between the Ru complexes having a 4-bromo-2,2&apos;-bipyridyl ligand and a 2,2&apos;-bipyridyl-4-boronic acid and a subsequent reaction with various mononuclear Pd and Rh precursors. There was a noticeable structural difference between the QP (2,2&apos;:4&apos;,4 &apos;&apos;:2 &apos;&apos;,2"&apos;-quaterpyridyne) and PB (5-(2,2&apos;-bipyridyl)-yl-1,10-phenanthroline) complexes, which involved the dihedral angles within the bridging ligand; the PB complexes possessed large dihedral angles but the QP complexes showed small values. This structural difference clearly indicated a strong pi-conjugation through the QP ligand. The electrochemical and photophysical properties of the QP and PB complexes were compared with the parent mononuclear Ru complexes, such as [(bpy)(3)Ru](2+), [(bpy)(2)Ru(phen)](2+), and [(bpy)(2)Ru(bpm)](2+) (bpm = 2,2&apos;-bipyrimidine). The QP and PB complexes showed a (MLCT)-M-3 life time that was similar to [(bpy)(3)Ru](2+) and [(bpy)(2)Ru(phen)](2+), which was about 10 times longer (ca. 1 mu s) than the corresponding bpm complexes. Reactivity studies with Pd complexes toward styrene dimerizations were examined. The reaction proceeded under visible-light irradiated conditions and the reactivity of the QP complexes was much higher than the corresponding PB complexes. Substantial acceleration of the reaction was observed with the introduction of an Me substituent on the bipyridyl ligand.

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  • 3P-330 2波長レーザー分光法による非染色細胞の赤外超解像イメージング(バイオイメージング(2),第46回日本生物物理学会年会)

    Inoue Keiichi, Uehara Ken, Kogure Satoshi, Ohmori Tsutomu, Ishihara Miya, Kikuchi Makoto, Fujii Masaaki, Sakai Makoto

    生物物理   48   S178   2008年

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    記述言語:英語   出版者・発行元:一般社団法人 日本生物物理学会  

    DOI: 10.2142/biophys.48.S178_5

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  • Cell imaging by transient fluorescence detected infrared microscopy 査読

    Tsutomu Ohmori, Makoto Sakai, Miya Ishihara, Makoto Kikuchi, Masaaki Fujii

    Progress in Biomedical Optics and Imaging - Proceedings of SPIE   6853   2008年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)  

    Transient fluorescence detected infrared (TFD-IR) microscopy was developed to overcome the diffraction limit of infrared (IR) light without a near-field system. This microscopic technique is based on TFD-IR spectroscopy, which converts information on IR absorption to fluorescence intensity by further electronic excitation of vibrationally excited molecules by a probing UV/visible light. Roots of Arabidopsis thaliana and living A549 cells with fluorescent dyes were chosen as samples. In the measurements using the TFD-IR microscope, tunable IR picosecond laser pulses were used in the wavelength range from 2700 to 3700 nm, corresponding to CH, NH, and OH stretching modes. Fluorescence images of the root cells of A. thaliana by the TFD-IR scheme were obtained with super-resolution compared with the resolution of conventional IR microscopy. The resolution is estimated to be less than 2.6 urn by fitting of a gaussian function. However, the TFD-IR images were dominated mainly by the fluorescent dyes because they were almost the same as a conventional fluorescence image. To investigate other contributions hidden by that of fluorescent dyes, we plotted the fluorescence intensity in several 5 μm squares at various IR wavelengths, called a TFD-IR spectrum. For root cells of A. thaliana, the TFD-IR spectra show shapes similar to those of a conventional IR absorption spectrum of the fluorescent dye. Therefore, the TFD-IR images are not due to the cellular components. For an A549 cell, the TFD-IR spectra were different from a conventional IR absorption spectrum of fluorescent dyes in the wavelength region shorter than 3100 nm. We speculate that the spectral difference is due to the cellular components, possibly assigned to the combination band related to amino groups of cellular components bonded covalently to the fluorescent dyes.

    DOI: 10.1117/12.762980

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  • Time-resolved measurements of aromatic hydrocarbon in exhaust gas using resonance enhanced multi-photon ionization method

    Kotaro Suzaki, Hiroyuki Yamada, Yuichi Goto, Kentaro Misawa, Jun Matsumoto, Yohei Yamato, Shunichi Ishiuchi, Masaaki Fujii, Koichi Tanaka, Katsumi Endo, Shunichi Hayashi

    Proceedings of the 7th International Conference on Modeling and Diagnostics for Advanced Engine Systems, COMODIA 2008   725 - 730   2008年

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    掲載種別:研究論文(国際会議プロシーディングス)  

    Time-resolved measurements of volatile organic compounds (VOC) and poly aromatic hydrocarbon (PAH) in exhaust gas from automobiles in a driving mode have been performed using Supersonic Jet / resonance enhanced multi-photon ionization (Jet-REMPI) method with 10 ppb sensitivity. Benzene, naphthalene and phenol were measured before and after catalyst treatment in the diesel cars. At the same time total hydrocarbon (THC) was detected by FID through a CVS instrument, which is the normal method for real-time measurement of hydrocarbon without distinction of hydrocarbon species in exhaust gas. The changes in concentration of benzene and other PAH corresponding to the changes in the driving mode were successfully measured every 1 second. As a result of real-time monitoring of exhaust gas from diesel engine, benzene, naphthalene and phenol were quantified at JE05 mode. Compared a real-time PAH and VOC signals with a total hydrocarbon signal detected by FID, it was found that each tendency of benzene and naphthalene was almost same as that of THC, while the tendency of phenol is different from that of THC. Copyright © 2008 by the Japan Society of Mechanical Engineers.

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  • Cell imaging by transient fluorescence detected infrared microscopy 査読

    Tsutomu Ohmori, Makoto Sakai, Miya Ishihara, Makoto Kikuchi, Masaaki Fujii

    BIOMEDICAL OPTICAL SPECTROSCOPY   6853 ( 685307 )   1 - 7   2008年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)   出版者・発行元:SPIE-INT SOC OPTICAL ENGINEERING  

    Transient fluorescence detected infrared (TFD-IR) microscopy was developed to overcome the diffraction limit of infrared (IR) light without a near-field system. This microscopic technique is based on TFD-IR spectroscopy, which converts information on IR absorption to fluorescence intensity by further electronic excitation of vibrationally excited molecules by a probing UV/visible light. Roots of Arabidopsis thaliana and living A549 cells with fluorescent dyes were chosen as samples. In the measurements using the TFD-IR microscope, tunable IR picosecond laser pulses were used in the wavelength range from 2700 to 3700 nm, corresponding to CH, NH, and OH stretching modes. Fluorescence images of the root cells of A. thaliana by the TFD-IR scheme were obtained with super-resolution compared with the resolution of conventional IR microscopy. The resolution is estimated to be less than 2.6 mu m by fitting of a gaussian function. However, the TFD-IR images were dominated mainly by the fluorescent dyes because they were almost the same as a conventional fluorescence image. To investigate other contributions hidden by that of fluorescent dyes, we plotted the fluorescence intensity in several 5 mu m squares at various IR wavelengths, called a TFD-IR spectrum. For root cells of A. thaliana, the TFD-IR spectra show shapes similar to those of a conventional IR absorption spectrum of the fluorescent dye. Therefore, the TFD-IR images are not due to the cellular components. For an A549 cell, the TFD-IR spectra were different from a conventional IR absorption spectrum of fluorescent dyes in the wavelength region shorter than 3 100 nm. We speculate that the spectral difference is due to the cellular components, possibly assigned to the combination band related to amino groups of cellular components bonded covalently to the fluorescent dyes.

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  • Tunable, narrow-bandwidth Mid-IR generation in ZnGeP<inf>2</inf> crystals pumped by a large aperture periodically poled Mg doped LiNbO<inf>3</inf> optical parametric system 査読

    J. Saikawa, M. Miyazaki, M. Fujii, H. Ishizuki, T. Taira

    Advanced Solid-State Photonics, ASSP 2008   2008年

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    掲載種別:研究論文(国際会議プロシーディングス)  

    We have developed a tunable, narrow-bandwidth (~2cm-1) Mid-IR optical parametric system with a large-aperture PPMgLN based pump source. The system tuned from 4.7 to 10.6μm, and the maximum output energy of 1.7mJ was obtained. © 2008 Optical Society of America.

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  • Narrow-bandwidth Mid-IR generation based on a large aperture periodically poled Mg-doped LiNbO3 optical parametric pump system 査読

    J. Saikawa, M. Miyazaki, M. Fujii, H. Ishizuki, T. Taira

    2008 CONFERENCE ON LASERS AND ELECTRO-OPTICS & QUANTUM ELECTRONICS AND LASER SCIENCE CONFERENCE, VOLS 1-9   1483 - +   2008年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)   出版者・発行元:IEEE  

    We have developed a narrow-bandwidth (&lt;2cm(-1)) Mid-IR optical parametric system with a large-aperture PPMgLN based 2 mu m pump system. The system tuned from 4.7 to 10.6 mu m, and the maximum output energy of 1.7mJ was obtained. (C)2008 Optical Society of America.

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  • Real-time and direct measurement of pollutants in exhaust gas utilizing supersonic jet/resonance enhanced multi-photon ionization 査読

    Kentaro Misawa, Jun Matsumoto, Yohei Yamato, Saori Mae, Shun-Ichi Ishiuchi, Masaaki Fujii, Koichi Tanaka, Tetsuya Suzuki, Shun-Ichi Hayashi, Hiroyuki Yamada, Yuichi Goto

    SAE Technical Papers   2008-01-0761   2008年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)  

    Supersonic jet/resonance enhanced multi-photon ionization (Jet-REMPI) technique was focused on the analyzing method for gas mixture like exhaust gas from automobiles. In this method, when the mass number and wavelength of excitation laser are determined adequately, the target compound can be monitored selectively. We developed a new analyzer utilizing REMPI method. Using this analyzer, real-time monitoring of exhaust gas from a motorcycle and diesel vehicles was conducted. As a result of real-time monitoring test of the vehicles, concentrations of aromatic compounds like benzene toluene etc. were quantified and real-time changes of their concentrations were observed. © 2007 SAE International.

    DOI: 10.4271/2008-01-0761

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  • 超音速分子ジェット多光子共鳴イオン化質量分析装置を用いる石炭加熱時のナフタレン発生挙動の観察 査読

    相本 道宏, 西藤 将之, 林 俊一, 鈴木 哲也, 石内 俊一, 藤井 正明

    分析化学   56 ( 12 )   1133 - 1139   2007年12月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.2116/bunsekikagaku.56.1133

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  • “生体-分子電線-半導体”融合による光受容素子 // Bio-conjugate Photosensitive Nanomaterial 査読

    平賀 隆, 井上 康則, 西原 寛, 皆方 誠, 藤井 正明, Takashi Hiraga, Yasunori Inoue, Hiroshi Nishihara, Makoto Minakata, Masaaki Fujii

    真空 Journal of the Vacuum Society of Japan   50 ( 12 )   745 - 751   2007年12月

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    掲載種別:研究論文(学術雑誌)  

    DOI: 10.3131/jvsj.50.745

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  • Hydrogen transfer dynamics in a photoexcited phenol/ammonia (1 : 3) cluster studied by picosecond time-resolved UV-IR-UV ion dip spectroscopy 査読

    Shun-ichi Ishiuchi, Makoto Sakai, Kota Daigoku, Kenro Hashimoto, Masaaki Fujii

    JOURNAL OF CHEMICAL PHYSICS   127 ( 23 )   234304-1 - 234304-8   2007年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    The picosecond time-resolved IR spectra of phenol/ammonia (1:3) cluster were measured by UV-IR-UV ion dip spectroscopy. The time-resolved IR spectra of the reaction products of the excited state hydrogen transfer were observed. From the different time evolution of two vibrational bands at 3180 and 3250 cm(-1), it was found that two isomers of hydrogenated ammonia radical cluster center dot NH(4)(NH(3))(2) coexist in the reaction products. The time evolution was also measured in the near-IR region, which corresponds to 3p-3s Rydberg transition of center dot NH(4)(NH(3))(2); a clear wavelength dependence was found. From the observed results, we concluded that (1) there is a memory effect of the parent cluster, which initially forms a metastable product, center dot NH(4)-NH(3)-NH(3), and (2) the metastable product isomerizes successively to the most stable product, NH(3)-center dot NH(4)-NH(3). The time constant for OH cleaving, the isomerization, and its back reaction were determined by rate-equation analysis to be 24, 6, and 9 ps, respectively.

    DOI: 10.1063/1.2806182

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  • Thermal emission monitoring of naphthalene from coals by supersonic jet resonance enhanced multi-photon ionization time-of-flight mass spectrometry technique 査読

    Michiro Aimoto, Masayuki Nishifuji, Shun-ichi Hayashi, Tetsuya Suzuki, Shun-ichi Ishiuchi, Masaaki Fujii

    BUNSEKI KAGAKU   56 ( 12 )   1133 - 1139   2007年12月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:JAPAN SOC ANALYTICAL CHEMISTRY  

    In thermal processes, such as combustion and pyrolysis reactions, the development of useful techniques for the real-time monitoring of organic compounds, like dioxin and polycyclic aromatic hydrocarbons (PAHs), has been demanded. Supersonic jet resonance enhanced multi-photon ionization time-of-flight mass spectrometry (Jet-REMPI-TOFMS) has been an effective technique in terms of the molecular selectivity, high sensitivity, and real-time analysis capability of those compounds. In this study, we developed a prototype Jet-REMPI-TOFMS system. We tried to carry out real-time observations of the naphthalene emission behavior for heated coal samples in an inert gas flow using an electric tube furnace. The behavior of naphthalene emission on the coal pyrolysis reaction was different among the types of coal species. For example, one coal sample that is used as a coking material, naphthalene, began to appear from 170 C, previously to the generation of methane and ethane, and finished at above 600 C. It is suggested that naphthalene is formed by breaking the naphthyl group contained in thermally unstable sites of coals.

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  • Picosecond time-resolved infrared imaging by a nonscanning two-color infrared super-resolution microscope 査読

    Makoto Sakai, Tsutomu Ohmori, Masataka Kinjo, Nobuhiro Ohta, Masaaki Fujii

    Chemistry Letters   36 ( 11 )   1380 - 1381   2007年11月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    A nonscanning two-color infrared super-resolution microscope combining a laser fluorescence microscope and picosecond time-resolved transient fluorescence detected IR (TFD-IR) spectroscopy has been developed. Picosecond time-resolved infrared super-resolution images were obtained with 2ps time resolutions and 1.4 μm spatial resolutions, without XY scanning of the sample or the excitation light of infrared and visible. A demonstration measurement on Arabidopsis thaliana roots labeled by Rhodamine 6G is presented. Copyright © 2007 The Chemical Society of Japan.

    DOI: 10.1246/cl.2007.1380

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  • 微量分子の高感度測定技術 - レーザーイオン化分析装置 査読

    藤井 正明, 林 俊一, 鈴木 哲也

    NIPPON STEEL MONTHLY   173   7 - 8   2007年11月

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    掲載種別:研究論文(学術雑誌)  

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  • High-energy, narrow-bandwidth periodically poled Mg-doped LiNbO3 optical parametric oscillator with a volume Bragg grating 査読

    Jiro Saikawa, Masaaki Fujii, Hideki Ishizuki, Takunori Taira

    OPTICS LETTERS   32 ( 20 )   2996 - 2998   2007年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:OPTICAL SOC AMER  

    We have demonstrated a simple, high-energy, narrow spectral bandwidth optical parametric oscillator (OPO) by use of a large aperture periodically poled Mg-doped LiNbO3 device with a volume Bragg grating (VBG). A free-running degenerate OPO pumped by a Q-switched 1.064 mu m Nd:YAG laser exhibits maximum output pulse energy of 110 mJ with high slope efficiency of 75% around room temperature. Broad spectral bandwidth (Delta lambda similar to 100 nm) around the degeneracy wavelength was suppressed by using a VBG as an output coupler. Up to 61 mJ of the output pulse energy with narrowed spectral bandwidth of less than 1.4 nm was obtained at the degeneracy wavelength of 2.128 mu m. (C) 2007 Optical Society of America

    DOI: 10.1364/OL.32.002996

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  • IR signature of the photoionization-induced hydrophobic→hydrophilic site switching in phenol-Arn clusters 査読

    Shun-ichi Ishiuchi, Makoto Sakai, Yuji Tsuchida, Akihiro Takeda, Yasutake Kawashima, Otto Dopfer, Klaus M?ller-Dethlefs, Masaaki Fujii

    The Journal of Chemical Physics   127 ( 11 )   114307-1 - 114307-11   2007年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1063/1.2775935

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  • IR spectra of phenol+-Krn cluster cations (n = 1,2): Evidence for photoionization-induced π → H isomerization 査読

    Akihiro Takeda, Horia-Sorin Andrei, Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fujii, Otto Dopfer

    Chemical Physics Letters   443 ( 4-6 )   227 - 231   2007年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1016/j.cplett.2007.06.103

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  • Hole-burning spectra of Phenol-Ar-n (n=1,2) clusters: Resolution of the isomer issue 査読

    Shun-Ichi Ishiuchi, Yuji Tsuchida, Otto Dopfer, Klaus Mueller-Dethlefs, Masaaki Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   111 ( 31 )   7569 - 7575   2007年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The hole-burning (HB) spectra of phenol-Ar-n (PhOH-Ar-n) clusters with n = 1 and 2 have been measured in a molecular beam to clarify the possible existence of isomers. Two species were identified to give rise to signals in the S-1-S-0 spectrum recorded for the n = 1 cluster; however, one of the species was found to originate from dissociation of an n = 2 cluster. Similarly, three species were observed in the spectrum of the n = 2 cluster, and two of them were assigned to n = 3 and larger clusters. The spectral contamination from larger size clusters was quantitatively explained by the dissociation after photoexcitation. The analysis of the spectra demonstrates that only a single isomer exists in the molecular beam for both the n = 1 and the n = 2 clusters. In addition to two previously detected intermolecular modes, a third low-frequency mode, assigned to an intermolecular bending vibration, is observed for the first time in the HB spectrum of the n = 2 cluster. The assignments of the intermolecular vibrations were confirmed by ab initio MO calculations. The observation of the third intermolecular vibration suggests that the geometry of the n = 2 cluster has C-s or lower symmetry.

    DOI: 10.1021/jp070787g

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  • Investigation of the center intensity of first- and second-order Laguerre-Gaussian beams with linear and circular polarization 査読

    Yoshinori Iketaki, Takeshi Watanabe, Nandor Bokor, Masaaki Fujii

    OPTICS LETTERS   32 ( 16 )   2357 - 2359   2007年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:OPTICAL SOC AMER  

    The vectorial Debye integral shows that tightly focused Laguerre-Gaussian (LG) beams have a residual intensity at the focal point for linear polarization, for a topological charge of m = 1 and 2. We measured the shapes of linearly and circularly polarized LG beams and found that a central intensity appeared at m = 1 and 2 for linear and right-handed circular polarization, however, it is completely canceled for left-handed circular polarization. In general, when the orbital angular momentum of the LG beam is parallel to the spin angular momentum of the photons, zero intensity is always achieved at the focus. (C) 2007 Optical Society of America.

    DOI: 10.1364/OL.32.002357

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  • Vibrational OH-stretching overtone spectroscopy of jet-cooled resorcinol and hydroquinone rotamers 査読

    Kaori Hattori, Shun-ichi Ishiuchi, Masaaki Fujii, Daryl L. Howard, Henrik G. Kjaergaard

    JOURNAL OF PHYSICAL CHEMISTRY A   111 ( 27 )   6028 - 6033   2007年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    We have measured the OH-stretching fundamental and overtone spectra of resorcinol and hydroquinone in a supersonic jet using nonresonant ionization detected infrared/near-infrared spectroscopy. Anharmonic oscillator local mode calculations of the OH-stretching frequencies and intensities and Boltzmann populations of the stable rotamers have been calculated at the B3LYP/6-311++G(3df,2pd) level to help interpret the observed spectra. Resorcinol has three stable rotamers and in the recorded second and third OH-stretching overtone spectra there is evidence of two distinguishable rotamers. Hydroquinone has two stable rotamers; however, the OH-stretching oscillators of each rotamer are so similar in nature that even up to the fourth OH-stretching overtone the transitions coincide. These results place a limit on the ability of the jet-cooled overtone spectroscopy technique to distinguish between rotamers.

    DOI: 10.1021/jp071677c

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  • Bio-photosensor: Cyanobacterial photosystem I coupled with transistor via molecular wire. 国際誌

    Nao Terasaki, Noritaka Yamamoto, Kaoru Tamada, Mineyuki Hattori, Takashi Hiraga, Akihiko Tohri, Ikutaro Sato, Masako Iwai, Michinao Iwai, Shunpei Taguchi, Isao Enami, Yasunori Inoue, Yoshinori Yamanoi, Tetsu Yonezawa, Katsuya Mizuno, Masaki Murata, Hiroshi Nishihara, Satoshi Yoneyama, Makoto Minakata, Tsutomu Ohmori, Makoto Sakai, Masaaki Fujii

    Biochimica et biophysica acta   1767 ( 6 )   653 - 9   2007年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    We report on the first successful output of electrons directly from photosystem I (PSI) of thermophilic cyanobacteria to the gate of a field-effect transistor (FET) by bypassing electron flow via a newly designed molecular wire, i.e., artificial vitamin K(1), and a gold nanoparticle; in short, this newly manufactured photosensor employs a bio-functional unit as the core of the device. Photo-electrons generated by the irradiation of molecular complexes composed of reconstituted PSI on the gate were found to control the FET. This PSI-bio-photosensor can be used to interpret gradation in images. This PSI-FET system is moreover sufficiently stable for use exceeding a period of 1 year.

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  • Bio-photo sensor: Cyanobacterial photosystem I coupled with transistor via molecular wire 査読

    Nao Terasaki, Noritaka Yamamoto, Kaoru Tamada, Mineyuki Hattori, Takashi Hiraga, Akihiko Tohri, Ikutaro Sato, Masako Iwai, Michinao Iwai, Shunpel Taguchi, Isao Enami, Yasunori Inoue, Yoshinori Yamanoi, Tetsu Yonezawa, Katsuya Mizuno, Masaki Murata, Hiroshi Nishihara, Satoshi Yoneyama, Makoto Minakata, Tsutomu Ohmori, Makoto Sakai, Masaaki Fujii

    BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS   1767 ( 6 )   653 - 659   2007年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    We report on the first successful output of electrons directly from photosystem I (PSI) of thermophilic cyanobacteria to the gate of a field-effect transistor (FET) by bypassing electron flow via a newly designed molecular wire, i.e., artificial vitamin K-1, and a gold nanoparticle; in short, this newly manufactured photosensor employs a bio-functional unit as the core of the device. Photo-electrons generated by the irradiation of molecular complexes composed of reconstituted PSI on the gate were found to control the FET. This PSI-bio-photosensor can be used to interpret gradation in images. This PSI-FET system is moreover sufficiently stable for use exceeding a period of I year. (c) 2006 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.bbabio.2006.11.008

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  • Far-field infrared super-resolution microscopy using picosecond time-resolved transient fluorescence detected IR spectroscopy 査読

    Makoto Sakai, Yasutake Kawashima, Akihiro Takeda, Tsutomu Ohmori, Masaaki Fujii

    CHEMICAL PHYSICS LETTERS   439 ( 1-3 )   171 - 176   2007年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    A new far-field infrared super-resolution microscopy combining laser fluorescence microscope and picosecond time-resolved transient fluorescence detected IR (TFD-IR) spectroscopy is proposed. TFD-IR spectroscopy is a kind of IR-visible/UV double resonance spectroscopy, and detects IR transitions by the transient fluorescence due to electronic transition originating from vibrationally excited level populated by IR light. IR images of rhodamine-6G solution and of fluorescent beads were clearly observed by monitoring the transient fluorescence. Super-resolution twice higher than the diffraction limit for IR light was achieved. The IR spectrum due to the transient fluorescence was also measured from spatial domains smaller than the diffraction limit. (C) 2007 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.cplett.2007.03.035

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  • 共鳴多光子イオン化法を用いたオンサイト・リアルタイム質量分析 // On-site and Real-time Mass Spectrometer Utilizing the Resonance Enhanced Multi-photon Ionization Technique 査読

    松本 淳, 三澤 健太郎, 石内 俊一, 鈴木 哲也, 林 俊一, 藤井 正明

    真空 Journal of the Vacuum Society of Japan   50 ( 4 )   241 - 245   2007年4月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:The Vacuum Society of Japan  

    DOI: 10.3131/jvsj.50.241

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  • On polarization effects in fluorescence depletion microscopy 査読

    Nandor Bokor, Yoshinori Iketaki, Takeshi Watanabe, Kota Daigoku, Nir Davidson, Masaaki Fujii

    OPTICS COMMUNICATIONS   272 ( 1 )   263 - 268   2007年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The dependence of fluorescence depletion on the relative polarizations of pump and erase beams is investigated for a sample of randomly oriented Rhodamine-6G molecules. The significance of polarization effects is illustrated for two existing systems of fluorescence depletion super-resolution microscopy: a circular polarization setup, and an azimuth-linear polarization setup. (c) 2006 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.optcom.2006.11.002

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  • Structure of the Jet-Cooled 1-Naphthol Dimer Studied by IR Dip Spectroscopy: Cooperation between the π-π Interaction and the Hydrogen Bonding 査読

    Morihisa Saeki, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fujii

    The Journal of Physical Chemistry A   111 ( 6 )   1001 - 1005   2007年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1021/jp0668910

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  • Measurement of contrast transfer function in super-resolution microscopy using two-color fluorescence dip spectroscopy 査読

    Yoshinori Iketaki, Takeshi Watanabe, Nandor Bokor, Takashige Omatsu, Takashi Hiraga, Kimihisa Yamamoto, Masaaki Fujii

    APPLIED SPECTROSCOPY   61 ( 1 )   6 - 10   2007年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SOC APPLIED SPECTROSCOPY  

    The contrast transfer function (CTF) of super-resolution microscopy was quantitatively investigated using a fluorescent scale. The scale has minute fluorescent line patterns, finer than 100 nm, and is suitable for measuring CTF in super-resolution microscopy. The measured CTF shows that super-resolution microscopy can indeed improve the optical properties of fluorescent images and enable us to observe a structure with the spatial resolution overcoming the diffraction limit. From the CTF, it has been found that super-resolution microcopy can resolve a 100 nm line-and-space pattern and provides a contrast of 10%. The CTF corresponds to a PSF with a full-width at half-maximum (FWHM) of 130 run. An evaluation using a 100 nm phi fluorescent bead consistently supports the results given by the CTF for super-resolution microscopy.

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  • Investigation of image properties in super-resolution microscopy using two-color fluorescence dip spectroscopy 査読

    Yoshinori Iketaki, Takeshi Watanabe, Nándor Bokor, Masaaki Fujii

    Progress in Biomedical Optics and Imaging - Proceedings of SPIE   6443   2007年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)  

    We quantitatively investigated image properties in super-resolution microscopy using two-color fluorescence dip spectroscopy. To evaluate the properties, the point spread function (PSF) and contrast transfer function (CTF) were measured using a fluorescent scale together with a fluorescent bead. From the CTF, it has been found that visible light can resolve a 100 nm line-and-space pattern by microcopy, and provide a contrast of 10%. The CTF corresponds to a PSF with a FWHM of 130 nm. The value is two times finer than the diffraction limit size. An evaluation using a 100 nm φ fluorescent bead consistently supports the result given by the CTF for super-resolution microscopy. The measured CTF shows that super-resolution microscopy can indeed improve the optical properties of fluorescent images and enable us to observe a structure with a spatial resolution overcoming the diffraction limit.

    DOI: 10.1117/12.698451

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  • Two-Color Picosecond Time-resolved Infrared Super-resolution Microscopy

    Makoto Sakai, Tsutomu Ohmori, Masaaki Fujii

    3   189 - 195   2007年

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    記述言語:英語  

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  • High-energy periodically poled MgO:LiNbO3 optical parametric system with a Bragg grating 査読

    J. Saikawa, M. Fujii, H. Ishizuki, T. Taira

    2007 CONFERENCE ON LASERS & ELECTRO-OPTICS/QUANTUM ELECTRONICS AND LASER SCIENCE CONFERENCE (CLEO/QELS 2007), VOLS 1-5   568 - +   2007年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)   出版者・発行元:IEEE  

    We report a large aperture periodically poled MgO:LiNbO3 optical parametric system with Bragg grating. Narrow bandwidth pulses of &lt;1nm at degeneracy point (2.128 mu m) were amplified up to 30mJ. (C) 2007 Optical Society of America

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  • IR signature of the photoionization-induced hydrophobic R hydrophilic site switching in phenol-Arn clusters

    Shun-ichi Ishiuchi, Makoto Sakai, Yuji Tsuchida, Akihiro Takeda, Yasutake Kawashima, Otto Dopfer, Klaus Muller-Dethlefs, Masaaki Fujii

    Virtual Journal of Nanoscale Science & Technology   16 ( 14 )   2007年

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  • Investigation of image properties in super-resolution microscopy using two-color fluorescence dip spectroscopy 査読

    Yoshinori Iketaki, Takeshi Watanabe, Nandor Bokor, Masaaki Fujii

    THREE-DIMENSIONAL AND MULTIDIMENSIONAL MICROSCOPY: IMAGE ACQUISITION AND PROCESSING XIV   6443   2007年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)   出版者・発行元:SPIE-INT SOC OPTICAL ENGINEERING  

    We quantitatively investigated image properties in super-resolution microscopy using two-color fluorescence dip spectroscopy. To evaluate the properties, the point spread function (PSF) and contrast transfer fuNction (CTF) were measured using a fluorescent scale together with a fluorescent bead. From the CTF, it has been found that visible light can resolve a 100 mn line-and-space pattern by microcopy, and provide a contrast of 10%. The CTF corresponds to a PSF with a FWHM of 130 mn. The value is two times finer than the diffraction limit size. An evaluation using a 100 run 0 fluorescent bead consistently supports the result given by the CTF for super-resolution microscopy. The measured CTF shows that super-resolution microscopy can indeed improve the optical properties of fluorescent images and enable us to observe a structure with a spatial resolution overcoming the diffraction limit.

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  • Difference frequency generation in a ZnGeP<inf>2</inf> crystal pumped by a large aperture periodically poled MgO: LiNbO<inf>3</inf> optical parametric system 査読

    J. Saikawa, M. Miyazaki, M. Fujii, H. Ishizuki, T. Taira

    Optics InfoBase Conference Papers   2007年

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    掲載種別:研究論文(国際会議プロシーディングス)  

    We have developed a high-energy (>30mJ), narrow-bandwidth (<2nm) optical parametric system with large-aperture PPMgLN devices. The optical parametric system was employed in a ZnGeP2 difference frequency generation system and tunable mid-infrared generation was observed. © 2007 Optical Society of America.

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  • Measurement system for scanning microscope using pulse laser light source 査読

    Yoshinori Iketaki, Takeshi Watanabe, Yutaka Yoribayashi, Sadafumi Kajiwara, Noboru Inoue, Masaaki Fujii

    IEEJ Transactions on Electronics, Information and Systems   127 ( 9 )   1344 - 1345   2007年

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Institute of Electrical Engineers of Japan  

    To reduce a measurement time in scanning microscope using pulse laser light source, we developed a novel measurement system. In the system, address data of sample stage signal are detected together with a sign from a sample. Using this system, a fluorescence image of a nano-scale with 250nm L&amp
    S line pattern was measured with a positioning accuracy of 40nm. A contrast of the image with 100×100 pixels corresponds to that for the diffraction limit of an objective lens. It takes only 20 sec for obtaining one image with a good S/N. It is expected the system contribute to microscopy applied in a research field concerning nano-science.

    DOI: 10.1541/ieejeiss.127.1344

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  • 52 mJ narrow-bandwidth degenerated optical parametric system with a large-aperture periodically poled MgO: LiNbO<inf>3</inf> device 査読

    J. Saikawa, M. Fujii, H. Ishizuki, T. Taira

    Optics Letters   31 ( 21 )   3149 - 3151   2006年11月

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    掲載種別:研究論文(学術雑誌)  

    We have demonstrated efficient, high-energy, narrow-spectral-bandwidth 2.128 μm pulse generation by use of periodically poled MgO : LiNbO 3 devices with a 36 mm length and a 5 mm × 5 mm large aperture. A free-running degenerated optical parametric oscillator (OPO) pumped with a Q-switched 1.064 μm Nd:YAG laser exhibits a high slope efficiency of 75% and an optical-to-optical conversion efficiency of 70% with a broad spectral bandwidth (>100 nm). In a configuration with a spectrally narrowed master oscillator followed by a power amplifier, we have achieved an output pulse energy of 52 mJ with a spectral bandwidth of less than 2 nm at the degeneracy point. The total optical-to-optical conversion efficiency of the system reached 50%. © 2006 Optical Society of America.

    DOI: 10.1364/OL.31.003149

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  • Development of a supercritical fluid jet technique for supersonic jet laser Spectroscopy of nonvolatile and pyrolytic molecules 査読

    Shun-ichi Ishiuchi, Masaaki Fujii

    CHEMISTRY LETTERS   35 ( 9 )   1044 - 1045   2006年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:CHEMICAL SOC JAPAN  

    A new supersonic jet technique, for nonvolatile and pyrolytic molecules, such as biomolecules, called the supercritical fluid jet (SCF-jet) technique was developed. This method enables the vaporization of such molecules without hard heating. To demonstrate the SCF-iet technique, we applied it to1-naphthol and measured the resonant enhanced multiphoton ionization spectrum.

    DOI: 10.1246/cl.2006.1044

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  • Theoretical study on the structure and the frequency of isomers of the naphthalene dimer 査読

    Morihisa Saeki, Hiroshi Akagi, Masaaki Fujii

    JOURNAL OF CHEMICAL THEORY AND COMPUTATION   2 ( 4 )   1176 - 1183   2006年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The structures of the naphthalene monomer and dimer were investigated with performing vibrational analysis. The MP2 optimization showed that the naphthalene monomer has a nonplanar geometry in the 6-31G, 6-31G*, 6-31+G*, and 6-311G basis sets, while it has a planar geometry in the 6-31G*(0.25) and Dunning's correlation consistent basis sets. The MP2/cc-pVDZ calculation showed the presence of the four stable isomers, which were part of the isomers in the previous MP2/6-31G* calculation ( Walsh, T. R. Chem. Phys. Lett. 2002, 363, 45). The presence of extra structures in the MP2/6-31G* calculation is attributed to a poor description of the potential energy surface, which is evident from the nonplanar structure of the monomer in the MP2/6-31G* calculation. The relative stability among the isomers in the MP2/cc-pVDZ calculation without counterpoise correction was maintained in both the single-point calculation at the MP2/aug-cc-pVDZ//MP2/cc-pVDZ level and the counterpoise-corrected optimization at the MP2/cc-pVDZ level. The relative stability among the isomers suggested an enhancement of the pi-pi interaction in the structure with lower symmetry, which could be explained using a molecular-orbital model. The vibrational analysis in MP2/cc-pVDZ without the counterpoise correction suggested that the isomers of the naphthalene dimer were distinguishable by the observation of the infrared spectrum in the low-frequency region (150-600 cm(-1)).

    DOI: 10.1021/ct050278n

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  • Vibrational overtone spectroscopy of phenol and its deuterated isotopomers 査読

    S Ishiuchi, M Fujii, TW Robinson, BJ Miller, HG Kjaergaard

    JOURNAL OF PHYSICAL CHEMISTRY A   110 ( 23 )   7345 - 7354   2006年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    We have measured the OH- and OD-stretching fundamental and overtone spectra of phenol and its deuterated isotopomers under jet-cooled conditions using nonresonant ionization detection spectroscopy and vapor-phase infrared (IR) and near-infrared (NIR) spectra at room temperature using conventional and photoacoustic spectroscopy. The OH- and OD-stretching bands in the jet-cooled spectra are about 1-10 cm(-1) wide and generally show a few Lorentzian shaped peaks. The bands in the room-temperature spectra have widths of 20-30 cm(-1) and display clear rotational profiles. The band profiles in the jet-cooled spectra arise mostly from nonstatistical intramolecular vibrational redistribution (IVR) with specific coupling to "doorway" states, which are likely to involve CH- and CD-stretching vibrations. The transition dipole moment that determines the rotational structure is found to rotate significantly from the fundamental to the third overtone and is not directed along the OH(D) bond. We use these calculated transition dipole moments to simulate the rotational structure. We determine the rotational temperature in the jet-cooled spectra to be about 0.5 K. Anharmonic oscillator local mode calculations of frequencies and intensities of the OH- and OD-stretching transitions are compared with our measured results. The calculated intensities are in good agreement with the absolute intensities obtained from conventional spectroscopy and with the relative intensities obtained from the room-temperature laser spectroscopy.

    DOI: 10.1021/jp060723q

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  • Construction of super-resolution microscope based on cw laser light source 査読

    Y Iketaki, T Watanabe, N Bokor, M Fujii

    REVIEW OF SCIENTIFIC INSTRUMENTS   77 ( 6 )   063112-1 - 063112-8   2006年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    We constructed a super-resolution microscope system based on a cw laser light source. Electro-optical modulators convert the cw laser light into a light pulse with a width of 15 ns and provide a repetition rate of 100 kHz. The performance of the microscope was evaluated using 100 nm phi fluorescence microbeads. The fluorescence signal from the beads can be detected with very low statistical fluctuation. The super-resolution image was obtained with better signal to noise ratio compared with that given by a pulse laser light source with a repetition rate of several tens of hertz. The fluorescent size of the beads was 150 nm, which is 2.3 times smaller than the diffraction limit. Experimental results confirmed that the two-point resolution also overcomes the diffraction limit. The constructed system is expected to become a commercial microscope.

    DOI: 10.1063/1.2213213

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  • 超音速分子ジェット多光分子吸収イオン化質量分析法を基本とする環境負荷物質リアルタイムモニタリング装置の開発 // Development of Real Time Monitoring Apparatus Based on Jet-REMPI Technique for the Determination of Hazardous Organic Compounds 査読

    林 俊一, 鈴木 哲也, 石内 俊一, 藤井 正明

    鉄と鋼   92 ( 4 )   262 - 267   2006年4月

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    掲載種別:研究論文(学術雑誌)  

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  • Highly efficient 1181 nm output from a transversely diode-pumped Nd3+ : KGd(WO4)(2) self-stimulating Raman laser 査読

    A Hamano, S Pleasants, M Okida, M Itoh, T Yatagai, T Watanabe, M Fujii, Y Iketaki, K Yamamoto, T Omatsu

    OPTICS COMMUNICATIONS   260 ( 2 )   675 - 679   2006年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    We have achieved high average power Raman output from a compact, diode-pumped, self-stimulating Nd3+:KGd(WO4)(2) Raman laser. Maximum Raman output power of 0.8 W was achieved at a pulse repetition frequency (PRF) of 2 kHz. The optical efficiency from diode to Raman laser was 14%. By generating extra-cavity second harmonics using a LiB3O5 crystal, it was possible to produce 0.2 W yellow output. The laser system was simulated numerically using rate equations and the results obtained were in good agreement with the experimental results. (c) 2005 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.optcom.2005.11.023

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  • レーザーイオン化質量分析による超微量物質検出 査読

    林 俊一, 鈴木 哲也, 石内 俊一, 藤井 正明

    レーザー研究   34 ( 4 )   283 - 288   2006年4月

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    掲載種別:研究論文(学術雑誌)  

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  • Analysis of a fluorescence depletion process of Rhodamine 6G in a PMMA matrix induced by nano- and picosecond lasers 査読

    T Watanabe, Y Iketaki, M Sakai, T Ohmori, T Ueda, T Yamanaka, SI Ishiuchi, M Fujii

    CHEMICAL PHYSICS LETTERS   420 ( 4-6 )   410 - 415   2006年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The two-color fluorescence depletion process of Rhodamine 6G in PMMA matrixes was investigated using nano- and picosecond lasers. Erase-lasers of 1064 and 599 nm depleted the fluorescence from the S, state. Fluorescence depletion with 1064 nm was analyzed by the up-conversion from state S, to S,, while that with 599 nm was simulated based on both the up-conversion and the stimulated emission. A three-state model describes this process due to a nanosecond laser well, while it could not reproduce that by picosecond lasers. Significant contributions of vibrational relaxation in S, and re-absorption from So are suggested in the picosecond region. (c) 2005 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.cplett.2005.12.020

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  • Excited state hydrogen transfer in fluorophenol・ammonia clusters studied by two-color REMPI spectroscopy 査読

    Norihiro Tsuji, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fujii, Takayuki Ebata, Christophe Jouvet, Claude Dedonder-Lardeux

    Physical Chemistry Chemical Physics   8 ( 1 )   114 - 121   2006年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1039/b511619h

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  • High-energy, narrow-bandwidth 2-μm optical parametric oscillator/power amplifier based on periodically poled MgO:LiNbO<inf>3</inf> 査読

    J. Saikawa, M. Fujii, H. Ishizuki, T. Taira

    Conference on Lasers and Electro-Optics and 2006 Quantum Electronics and Laser Science Conference, CLEO/QELS 2006   2006年

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    掲載種別:研究論文(国際会議プロシーディングス)  

    We report an optical parametric oscillator/power amplifier using periodically poled MgO:LiNbO3 with 38 mm length and 5×5mm 2 large aperture. We achieved output energy of 52mJ with spectral bandwidth of <2nm at degeneracy point (2.128μm). ©2006 Optical Society of America.

    DOI: 10.1109/CLEO.2006.4627994

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  • 2色レーザ光でナノ構造を視る ―2波長ファーフィールド超解像顕微鏡法の開発― 査読

    藤井 正明

    未来材料   5 ( 12 )   8 - 15   2005年12月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:エヌ・ティー・エス  

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  • Investigation of polarization effects for high-numerical-aperture first-order Laguerre-Gaussian beams by 2D scanning with a single fluorescent microbead 査読

    N Bokor, Y Iketaki, T Watanabe, M Fujii

    OPTICS EXPRESS   13 ( 26 )   10440 - 10447   2005年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:OPTICAL SOC AMER  

    The focal intensity distribution of strongly focused (NA=0.9) first-order Laguerre-Gaussian doughnut beams is investigated experimentally for three different polarizations: linear, and left-handed circular and right-handed circular. The investigations are done by 2-dimensional scanning the focal plane with of a 100nm diameter fluorescent microbead, and measuring the fluorescence signal. The results are shown to be in excellent agreement with theoretical predictions, and demonstrate the superiority of one of the circular polarizations to achieve a sharp dark central spot. (c) 2005 Optical Society of America.

    DOI: 10.1364/OPEX.13.010440

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  • 回折限界以下の振動情報を得る ―赤外超解像顕微分光 査読

    酒井 誠, 藤井 正明

    化学   60 ( 11 )   34 - 38   2005年11月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:化学同人  

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  • Probing stepwise complexation in phenylazomethine dendrimers by a metallo-porphyrin core

    T Imaoka, R Tanaka, S Arimoto, M Sakai, M Fujii, K Yamamoto

    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY   127 ( 40 )   13896 - 13905   2005年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    A series of dendritic phenylazomethines (DPA), which have a meso-substituted zinc porphyrin core (DPAGX-ZnP, X = 1-4), were synthesized. Structural studies of these dendrimers were carried out using Tri-SEC (triple detection after size exclusion chromatography), intrinsic viscosity analysis, TEM (tunneling electron microscopy), and molecular modeling calculations by AM1. As a result, a sphere-like structure within a single-nanometer scale (R-h = 22 angstrom for DPAG4-ZnP) was observed. In addition, encapsulating effects by the DPA shell in the larger dendrimers were confirmed as fundamental properties, based on the UV-vis abosorption spectra, cyclic voltammograms, and H-1 NMR spin-lattice relaxation times (T-1). The DPAGX-ZnP acts as a multi-metal ion reservoir for SnCl2 and FeCl3. The generation-4 dendrimer (DPAG4-ZnP) can take up to 60 molar amounts of metal complexes around the porphyrin core. A quantitative study of the metal assembling reaction by UV-vis titration revealed stepwise layer-by-layer complexations from the inner imines nearest to the core to the surface. The redox behavior and fluorescence of the zinc porphyrin in these metal-assembled clendrimers also support the stepwise complexation of the metal ion. These analyses suggest that the finely assembled metal complexes in a dendrimer architecture strongly affect the electronic status of the porphyrin core. Results from transient absorption measurements strongly indicate a very fast electron transfer on a subpicosecond time scale between the core and assembled metal complexes.

    DOI: 10.1021/ja0524797

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  • A new, highly sensitive time-of-flight mass spectrometer consisting of a flangeon-type conical ion lens system and a proto-type daly detector for exhaust gas analysis based on the Jet-REMPI technique

    T Suzuki, S Hayashi, S Ishiuchi, M Saeki, M Fujii

    ANALYTICAL SCIENCES   21 ( 8 )   991 - 996   2005年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:JAPAN SOC ANALYTICAL CHEMISTRY  

    For the analysis of trace amounts of hazardous organic compounds, we developed a new ion detection system for supersonic jet resonance-enhanced multiphoton laser ionization mass spectrometry. High sensitivity and selectivity have been achieved by combining a proto-type Daly detector, a newly designed conical ion lens, and a potential switch that can perform the function of a mass selector. This ion detection system enables us to bring the jet nozzle closer to the ionization point. The detection sensitivity has thus been improved totally by more than 100 times compared with that obtained by the parallel-plate electrodes and micro-channel plate. We succeeded in assembling a flangeon-type ion extraction electrode consisting of a conical ion lens and a potential switch.

    DOI: 10.2116/analsci.21.991

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  • Nanometer scale marker for fluorescent microscopy

    T Hiraga, Y Iketaki, T Watanabe, H Ohyi, K Kobayashi, N Yamamoto, T Mizokuro, M Fujii

    REVIEW OF SCIENTIFIC INSTRUMENTS   76 ( 7 )   073701-1-4   2005年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    To establish a calibration method of optical performance in fluorescence microscopy, we fabricated a fluorescent nanometer-scale marker by combining a dry dye method for polymer film and fine lithography. The marker has a 50 nm line-and-space fluorescent pattern, finer than the optical diffraction limit. A spin-coated poly(methyl methacrylate) thin film on a silicon wafer was densely doped with Rhodamine 6G using a simple vacuum process, named the vapor-transportation method, and then the pattern was formed on the film using electron-beam lithography. The figure accuracy of the fabricated marker was calibrated by electron microscopes. Using this marker, one can quantitatively evaluate the optical properties; i.e., the contrast-transfer function, the point-spread function, magnification, and so on. To show practical use of the marker, we demonstrated the evaluation of a fluorescent microscope system. (c) 2005 American Institute of Physics.

    DOI: 10.1063/1.1946627

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  • 光合成たんぱく質を用いたバイオフォトセンサー 査読

    皆方 誠, 米山 賢史, 井上 康則, 西原 寛, 藤井 正明, 平賀 隆

    応用物理   74 ( 7 )   924 - 929   2005年7月

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  • Two-point separation in far-field super-resolution fluorescence microscopy based on two-color fluorescence dip spectroscopy, part I: Experimental evaluation

    T Watanabe, Y Iketaki, T Omatsu, K Yamamoto, M Fujii

    APPLIED SPECTROSCOPY   59 ( 7 )   868 - 872   2005年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SOC APPLIED SPECTROSCOPY  

    The two-point resolution of a novel two-color far-field super-resolution fluorescence microscopy was evaluated by measuring fluorescent beads 100 nm in diameter. This microscopy is based on a combination of two-color fluorescence dip spectroscopy and a phase-modulation technique for a laser beam. By simply introducing two-color laser light, the size of the fluorescent image of a bead was shrunk down to a diameter of 250 run from the diffraction-limited image with a diameter of 360 nm. For two closely adjacent fluorescent beads with a separation distance of 350 nm, the two-color microscope clearly gave separated fluorescence images, while the conventional one-color fluorescence microscope could not resolve them. It has been proved that our technique breaks Rayleigh's diffraction limit.

    DOI: 10.1366/0003702054411562

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  • Theoretical investigation of the point-spread function given by super-resolving fluorescence microscopy using two-color fluorescence dip spectroscopy

    Y Iketaki, T Watanabe, M Sakai, S Ishiuchi, M Fujii, T Watanabe

    OPTICAL ENGINEERING   44 ( 3 )   033602-1-9   2005年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SPIE-INT SOCIETY OPTICAL ENGINEERING  

    The profile of the point spread function (PSF) in superresolution microscopy is studied theoretically. The fluorescence spot profile (i.e., the PSF) is determined by the focused beam patterns of the applied two-color lasers and the optical properties of the fluorescence-depletion process induced by the lasers (the pump and erase beams). In this study, the fluorescence-depletion process for the sample molecule is analyzed using a rate equation for a three-state model. Based on this result, we calculate the PSF for the case where the erase beam is modeled by a first-order Bessel function. In the case of an erase beam with a large photon flux, the obtained PSF has a Lorentzian-like shape, which seldom appears in traditional microscopy. In this work, we also investigated a possible relationship between the PSF and other parameters in the fluorescence-depletion process. (c) 2005 Society of Photo-Optical Instrumentation Engineers.

    DOI: 10.1177/1.1871512

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  • Pulsed field ionisation - ZEKE photoelectron spectrum of o-, m- and p-tolunitrile

    K Suzuki, S Ishiuchi, M Sakai, M Fujii

    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA   142 ( 3 )   215 - 221   2005年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Pulsed field ionisation-ZEKE photoelectron spectroscopy has been applied to o-, m- and p-tolunitrile in a supersonic jet. The PFI-ZEKE photoelectron spectra of m- and p-tolunitrile show well-resolved anharmonic structures in the low-frequency region, which are assigned to bands due to internal rotational motion of the methyl group in the cation. Level energies and relative transition intensities are reproduced well by a one-dimensional rotor model with a three-fold axis potential. Potential curves for the internal rotation have been determined. For o-tolunitrile, no band due to internal rotation was found in PFI-ZEKE spectrum. It is suggested that the o-tolunitrile cation has the high barrier for internal rotation and the stable conformation that is the same as that in S-1 and S-0. The barrier height and the conformation are compared with other toluene derivatives. and the relation between the electronic character of -CN and the internal rotational motion has been discussed. (C) 2004 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.elspec.2004.09.020

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  • Real-time observation of ionization-induced hydrophobic -&gt; hydrophilic switching

    S Ishiuchi, M Sakai, Y Tsuchida, A Takeda, Y Kawashima, M Fujii, O Dopfer, K Muller-Dethlefs

    ANGEWANDTE CHEMIE-INTERNATIONAL EDITION   44 ( 38 )   6149 - 6151   2005年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:WILEY-V C H VERLAG GMBH  

    DOI: 10.1002/anie.200501430

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  • Generation of a doughnut-shaped beam using a spiral phase plate

    T Watanabe, M Fujii, Y Watanabe, N Toyama, Y Iketaki

    REVIEW OF SCIENTIFIC INSTRUMENTS   75 ( 12 )   5131 - 5135   2004年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    To generate a doughnut-shaped beam, i.e., the first order of a Bessel beam, a spiral phase plate with 8 divided etching areas is fabricated with an etching accuracy of better than 6 nm. The etching depth of each area is designed so that the phase distribution of the laser beam passing through has a phase difference of pi at a symmetric position with respect to the optical axis. Using a laser beam with a wavefront aberration of 1/10lambda, the phase distribution of the beam passing through the plate is measured by a Shack Hartman wavefront sensor. It has been found that the beam has a spiral phase change of 2pi along the optical axis. The focused beam has a circular doughnut pattern, as predicted by a theoretical calculation, and we succeeded to generate the ideal first-order of a Bessel beam. (C) 2004 American Institute of Physics.

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  • Vibrational energy relaxation of the 7-azaindole dimer in CCl4 solution studied by picosecond time-resolved transient fluorescence detected IR spectroscopy

    M Sakai, M Fujii

    CHEMICAL PHYSICS LETTERS   396 ( 4-6 )   298 - 302   2004年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The picosecond time-resolved IR spectra of the 7-azaindole dimer in a carbon tetrachloride solution was measured by using picosecond time-resolved lR/UV double resonance spectroscopy. This spectroscopy selectively detects the IR transition by transient fluorescence due to an electronic transition from a vibrationally excited level. The time-evolution of the IR spectrum is a single exponential with a 19 ps lifetime, which does not correspond to fast nonstatistical decay due to the intramolecular vibrational redistribution found in a gas-phase cluster. From a comparison with the time-resolved IR spectrum of a jet-cooled dimer, this decay is assigned to vibrational cooling from the dimer to the solvent. (C) 2004 Elsevier B.V. All rights reserved.

    DOI: 10.1016/j.cplett.2004.08.041

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  • 2波長蛍光Dip分光法を用いたファーフィールド超解像顕微鏡の2点分解能評価 // Two-Point-Separation in Far-Field Super-Resolution Fluorescence Microscopy Based on Two-Color Fluorescence Dip Spectroscopy 査読

    渡邉 武史, 池滝 慶記, 尾松 孝茂, 山元 公寿, 藤井 正明, Takeshi Watanabe, Yoshinori Iketaki, Takashige Omatsu, Kimihisa Yamamoto, Masaaki Fujii

    表面科学 Journal of the Surface Science Society of Japan   25 ( 8 )   466 - 472   2004年8月

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    記述言語:日本語   掲載種別:研究論文(学術雑誌)   出版者・発行元:The Surface Science Society of Japan  

    The two-point-resolution of a novel two-color far-field super-resolution fluorescence microscopy has been evaluated. This microscopy is based on a combination of two-color fluorescence dip spectroscopy and a phase modulation technique for the laser beam. The two-point-resolution of the microscopy has been evaluated by using the fluorescent beads of which the size is specified by the observation with AFM. By introducing two color lasers, the observed fluorescence image shrunk down beyond the diffraction limit. In the observation of neighboring two fluorescence beads, pronounced separation between two individual fluorescence spots has been investigated. By taking the focal depth into consideration, FWHM and profile of the fluorescence images were well reproduced. It is proved that our technique breaks the diffraction limit and the spatial resolution of the optical fluorescence microscope can be improved by 2 times higher than the diffraction limit.

    DOI: 10.1380/jsssj.25.466

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  • Formation of a doughnut laser beam for super-resolving microscopy using a phase spatial light modulator

    T Watanabe, Y Igasaki, N Fukuchi, M Sakai, S Ishiuchi, M Fujii, T Omatsu, K Yamamoto, Y Iketaki

    OPTICAL ENGINEERING   43 ( 5 )   1136 - 1143   2004年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SPIE-INT SOCIETY OPTICAL ENGINEERING  

    The formation of a doughnut-shaped laser beam is presented. To generate the beam, we use an optically addressed parallel-aligned nematic liquid-crystal phase spatial light modulator (PAL-SLM), and observe the shape of the focused beam. By using a compensating technique for wave aberration, the beam has a symmetric doughnut shape with a hole size of 1 mumphi on the focal plane. The experimental result shows that the generated beam can be expected to be applicable to super-resolving microscopy based on the fluorescence depletion process. (C) 2004 Society of Photo-Optical Instrumentation Engineers.

    DOI: 10.1117/1.1690767

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  • Vibrational overtone spectroscopy of jet-cooled aminophenols as a probe for rotational isomers

    TW Robinson, HG Kjaergaard, SI Ishiuchi, M Shinozaki, M Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   108 ( 20 )   4420 - 4427   2004年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    Nonresonant ionization detected (NID) spectroscopy has been used to record the OH-, NH-, and CH-stretching vibrational overtone spectra of o-, m-, and p-aminophenol (aminohydroxybenzene; hydroxyaniline) in the collision-free environment of a supersonic jet. The OH-, NH-, and CH-stretching fundamental vibrations of jet-cooled o- and m-aminophenol have also been studied by NID and infrared-depletion techniques. We use an anharmonic oscillator local mode model, with one oscillator for each OH, NH, and CH bond, to calculate the frequencies and intensities of the stretching transitions and facilitate the assignment of the measured vibrational spectra. In the case of m-aminophenol, the presence of two rotational isomers is clearly demonstrated in the higher vibrational overtone spectra. For o-aminophenol, we find that one rotational isomer dominates, and the possible existence of a second is discussed. Electronic structure calculations are used to determine and explain the relative energies of the various rotational isomers. Our results show that vibrational overtone spectroscopy combined with jet-cooled conditions is a powerful technique for distinguishing between rotational isomers.

    DOI: 10.1021/jp037577y

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  • Formation of nano-dots of phenylazomethine dendrimers with Rhodamine 6G on mica

    N Satoh, T Watanabe, Y Iketaki, T Omatsu, M Fujii, K Yamamoto

    POLYMERS FOR ADVANCED TECHNOLOGIES   15 ( 4 )   159 - 163   2004年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:JOHN WILEY & SONS LTD  

    The phenylazomethine dendrimer (DPA) is associated with Rhodamine 6G in chloroform, which results in the chemical shift attributed to the aromatic protons of phenylazomethine being moved upfield in the H-1-NMR spectrum by increasing the Rhodamine 6G. The shift is saturated at the ratio of 1:1. On the basis of the NMR analysis, the association constant K of phenylazomethine with Rhodamine 6G was determined to be 1.4 x 10(4) (l/mol) in CDCl3 at 20degreesC. The association is also confirmed by UV-vis spectroscopy, in which the absorption around 450 and 527 nm changes during the addition of Rhodamine 6G. The fluorescence intensity of the 1: 1 complex of Rhodamine 6G and DPA G4 is stronger than that of the solution dissolved only in Rhodamine 6G at greater than 1 mM though it is generally known that the intermolecular interaction quenches the dye fluorescence in a concentrated solution. The association of DPA G4 with Rhodamine 6G suppresses the quenching at higher concentrations. Homogenous nano-dots were observed on mica by casting the DPA G4 complex with Rhodamine 6G, in which the height and average area were 1.5-3 nm and 1.6 x 10(3) nm(2) (the standard deviation sigma = 3.7 nm(2)), respectively. Copyright (C) 2004 John Wiley Sons, Ltd.

    DOI: 10.1002/pat.378

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  • Four-color hole burning spectra of phenol/ammonia 1 : 3 and 1 : 4 clusters

    S Ishiuchi, K Daigoku, K Hashimoto, M Fujii

    JOURNAL OF CHEMICAL PHYSICS   120 ( 7 )   3215 - 3220   2004年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    The hole burning spectra of phenol/ammonia (1:3 and 1:4) clusters were measured by a newly developed four-color (UV-near-IR-UV-UV) hole burning spectroscopy, which is a kind of population labeling spectroscopy. From the hole burning spectra, it was found that single species is observed in an n=3 cluster, while three isomers are observed simultaneously for n=4. A possibility was suggested that the reaction efficiency of the hydrogen transfer from the electronically excited phenol/ammonia clusters, which was measured by a comparison with the action spectra of the corresponding cluster, depends on the initial vibronic levels. (C) 2004 American Institute of Physics.

    DOI: 10.1063/1.1640352

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  • 光励起:共鳴多光子イオン化法による分子のインタクトイオン化

    藤井正明, 石内俊一, 林俊一

    日本真空協会   47 ( 8 )   612 - 617   2004年

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  • 「バイオ共役光受容ナノマテリアルの研究展開 −生体の知恵を電子工学に生かす」

    井上 康則, 西原 寛, 皆方 誠, 藤井 正明

    第6回高柳健次郎記念シンポジウム 論文集、静岡大学電子工学研究所   37 - 41   2004年

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  • 2波長蛍光Dip分光法を用いたファーフィールド超解像顕微鏡

    渡邉武史, 池滝慶記, 尾松孝茂, 山元公寿, 藤井正明

    分光研究   53 ( 1 )   2 - 12   2004年

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    記述言語:日本語   出版者・発行元:The Spectroscopical Society of Japan  

    DOI: 10.5111/bunkou.53.2

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  • 「バイオ共役光受容ナノマテリアルの研究展開 −FETを用いた分子修飾PSIの光電流検出」

    米山 賢史, 井上 康則, 西原 寛, 藤井 正明, 平賀 隆

    第6回高柳健次郎記念シンポジウム 論文集、静岡大学電子工学研究所   43 - 47   2004年

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  • Two-point-separation in super-resolution fluorescence microscope based on up-conversion fluorescence depletion technique

    T Watanabe, Y Iketaki, T Omatsu, K Yamamoto, M Sakai, M Fujii

    OPTICS EXPRESS   11 ( 24 )   3271 - 3276   2003年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:OPTICAL SOC AMER  

    Pronounced separation (750 nm) between two individual fluorescence spots in a novel super-resolution microscopy based on a two-color up-conversion fluorescence depletion technique has been investigated. This microscopy has the potential to achieve a spatial resolution (&lt; 300nm) of 1/2 the diffraction limit. (C) 2003 Optical Society of America.

    DOI: 10.1364/OE.11.003271

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  • Azo-benzene polymer thin-film laser amplifier with grating couplers based on light-induced relief hologram 査読

    T Hirose, T Omatsu, R Kato, K Hoshino, K Harada, T Watanabe, M Fujii

    OPTICS COMMUNICATIONS   228 ( 4-6 )   279 - 283   2003年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    We investigated an organic waveguide laser amplifier with grating couplers based on light-induced surface grating hologram. Optical coupling efficiency to the film was approximately 0.5%. The amplifier exhibited small-signal gain of 0.5 cm(-1). (C) 2003 Published by Elsevier B.V.

    DOI: 10.1016/j.optcom.2003.09.060

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  • Predicted spatial resolution of super-resolving fluorescence microscopy using two-color fluorescence dip spectroscopy

    Y Iketaki, T Watanabe, SIM Sakai, T Omatsu, K Yamamoto, M Fujii

    APPLIED SPECTROSCOPY   57 ( 10 )   1312 - 1316   2003年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SOC APPLIED SPECTROSCOPY  

    DOI: 10.1366/000370203769699234

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  • Photochemistry of phenol-(NH3)(n) clusters: Solvent effect on a radical cleavage of an OH bond in an electronically excited state and intracluster reactions in the product NH4(NH3)(n-1) (n &lt;= 5)

    K Daigoku, S Ishiuchi, M Sakai, M Fujii, K Hashimoto

    JOURNAL OF CHEMICAL PHYSICS   119 ( 10 )   5149 - 5158   2003年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    The potential energy surfaces of PhOH-(NH3)(0,1) and NH4(NH3)(1-4) have been investigated theoretically by ab initio methods. Intermolecular stretching in PhOH-NH3 assists in the radical cleavage of an OH bond occurring through a pipi*/pisigma* potential crossing. Thus, excited state hydrogen transfer (ESHT) is expected to take place by a solvent-assisted mechanism even in the larger PhOH-(NH3)(n). Because sufficient energy is obtained by ESHT from PhOH-(NH3)(n) (pipi(*)) to PhO-NH4(NH3)(n-1) (pisigma(*)) (nless than or equal to5), hydrogen relocation and/or ammonia migration in the product NH4(NH3)(n-1) can readily follow ESHT, which is responsible for observing isomer bands in the absorption spectra of the photoinduced reaction products of PhOH-(NH3)(n). (C) 2003 American Institute of Physics.

    DOI: 10.1063/1.1597492

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  • Investigation of the fluorescence depletion process in the condensed phase; application to a tryptophan aqueous solution

    Y Iketaki, T Watanabe, S Ishiuchi, M Sakai, T Omatsu, K Yamamoto, M Fujii, T Watanabe

    CHEMICAL PHYSICS LETTERS   372 ( 5-6 )   773 - 778   2003年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    By using a two-color dip-spectroscopy, we measured the fluorescence intensity from tryptophan in a water solution. The fluorescence intensity exponentially decreased as the laser intensity for the S-n &lt;-- S-1 excitation increased. The phenomenon was analyzed by a rate-equation for a three-state model. The analysis shows that tryptophan with the Sn state has a radiationless relaxation process without any process through the S-1 state, and that the S-n --&gt; S-1 internal conversion does not have a 100% yield. The branching ratio of the process is estimated to be 20%. The presented result clarifies in detail the real meaning of Kasha's rule. (C) 2003 Elsevier Science B.V. All rights reserved.

    DOI: 10.1016/S0009-2614(03)00481-0

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  • Two-color far-field super-resolution microscope using a doughnut beam

    T Watanabe, Y Iketaki, T Omatsu, K Yamamoto, S Ishiuchi, M Sakai, M Fujii

    CHEMICAL PHYSICS LETTERS   371 ( 5-6 )   634 - 639   2003年4月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    We have demonstrated a realistic super-resolution scanning fluorescence microscope using conventional nanosecond lasers. This super-resolution microscope is based on the combination of two-color fluorescence dip spectroscopy and shape modulation to a doughnut beam. Only by introducing a doughnut erase beam, the resolution of the laser fluorescence microscope breaks the diffraction limit by two times without using any mechanical probe. (C) 2003 Elsevier Science B.V. All rights reserved.

    DOI: 10.1016/S0009-2614(03)00315-4

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  • Construction of a picosecond time-resolved IR dip spectrometer for studying structures and dynamics of solvated clusters 査読

    M Sakai, T Ueda, T Yamanaka, M Fujii

    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN   76 ( 3 )   509 - 514   2003年3月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:CHEMICAL SOC JAPAN  

    We have constructed a picosecond time-resolved IR dip spectrometer having a frequency resolution of &lt;20 cm(-1) and an instrument response time of 25 ps. In this system, the second harmonic of the idler wave from the OPA pumped at 800 nm and the remaining light from a regenerative amplifier (&lt;2.5 mJ/pulse) were differentially mixed in a KTA crystal to generate tunable high-power IR light (2750-4000 cm(-1); &gt;60 muJ). The picosecond time-resolved IR dip spectra of phenol-(H2O)(1) and carbazole-(H2O)(1) are presented to demonstrate the capability of the constructed system. The spectral changes show clear vibrational structures of not only S-0, but also S-1 in the 2800-3800 cm(-1) energy region. The system performance is also discussed.

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  • 蛍光Dip分光法の凝集相への応用

    渡邉武史, 池滝慶記, 藤井正明

    分光研究   52 ( 5 )   286 - 287   2003年

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    記述言語:日本語   出版者・発行元:The Spectroscopical Society of Japan  

    DOI: 10.5111/bunkou.52.286

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  • Self-stimulating, Transversely Diode-pumped Nd3+ : PbWO4 yellow laser.

    Akihide Hamano Yoshiyuki, Usuki Takeshi Watanabe, Masaaki Fujii Yoshinori, Iketaki Kimihisa Yamamoto, Takashige Omatsu

    Trends in Optics and Photonics   2003年

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  • Construction of a picosecond time-resolved IR dip spectrometer for hydrogen-bond clusters

    Makoto SAKAI, Tadashi, UEDA Takaya, YAMANAKA Masaaki FUJII

    Bull. Chem. Soc. Jpn   76   509   2003年

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  • Far-field super-resolution scanning fluorescence microscope by using up-conversion-depletion technique

    Takeshi Watanabe, Makoto, Sakai, Shun-ichi Ishiuchi Masaaki Fujii, Yoshinori Iketaki Takashige, Omatsu Kimihisa Yamamoto

    Trends in Optics and Photonics   2003年

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  • Pulsed field ionization-ZEKE spectroscopy of 4-aminobenzonitrile-H2O. Hydrogen-bonding interaction in the amino site 査読

    K Sakota, N Yamamoto, K Ohashi, M Saeki, S Ishiuchi, M Sakai, M Fujii, H Sekiya

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   5 ( 9 )   1775 - 1779   2003年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Pulsed field ionization (PFI)-zero-kinetic-energy (ZEKE) photoelectron spectra are measured for 4-aminobenzonitrile (4ABN) and "NH2-donor isomer'' of 4ABN-H2O 1 : 1 complex in which the oxygen atom of water is bonded to the amino hydrogen (K. Sakota, N. Yamamoto, K. Ohashi, H. Sekiya, M. Saeki, S. Ishiuchi, M. Sakai and M. Fujii, Chem. Phys. Lett., 2001, 341, 70.). We have investigated changes in intermolecular interaction and structure of the NH2-donor isomer upon photoionization. The adiabatic ionization potentials of 4ABN and NH2-donor isomer are determined to be 66 493 and 62 843 cm(-1), respectively. The oxygen atom of water is hydrogen bonded to an amino hydrogen atom in the D-0 state of NH2 donor isomer as well as in the S-1 and S-0 states. However, the hydrogen bond is suggested to be much stronger in the D-0 state thanin the S-1 state from a substantial decrease (3650 cm(-1)) in the adiabatic potential due to the formation of a hydrogen bond. Normal mode analysis has been made for the intermolecular vibrations in the D-0 state with the aid of density functional theory calculations at the B3LYP/aug-cc-pVDZ level. The observation of a prominent progression of the intermolecular stretch mode in the PFI-ZEKE spectrum via the electronic origin of the S-1-S-0 transition is consistent with the increased hydrogen bond strength in the D-0 state.

    DOI: 10.1039/b212035f

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  • S-1-S-0 electronic spectrum of jet-cooled m-aminophenol 査読

    M Shinozaki, M Sakai, S Yamaguchi, T Fujioka, M Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   5 ( 22 )   5044 - 5050   2003年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    The S-1 and S-0 states of m-aminophenol have been investigated using laser induced fluorescence and dispersed fluorescence spectroscopy in a supersonic jet. The dispersed fluorescence spectra, obtained by exciting the bands at 34 109 and 34 469 cm(-1), show the same vibronic structure, which suggests the coexistence of rotational isomers in m-aminophenol. A quantum chemical calculation also supports the coexistence of rotational isomers. From the relative intensities in the spectrum and the calculated stabilization energies of isomers, the bands are assigned to the origin of the cis- and trans-isomers, respectively. The dispersed fluorescence spectra obtained by exciting the S-1 vibronic bands were analyzed by comparing with the calculated vibrational frequencies and IR and Raman spectra. From the analysis, the S-1 vibronic bands have been assigned. It was found that a one-to-one correspondence between the S-1 and S-0 vibrations is broken, and vibrational mixing due to Fermi resonance or the Duschinsky effect is suggested.

    DOI: 10.1039/b309461h

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  • 2色レーザ光を用いたナノ空間超解像蛍光計測法 査読

    Y. Iketatki T, Watanabe, M, Sakai, S. Ishiuchi, T. Omatsu, K. Yamamoto, M. Fujii

    表面科学   24 ( 7 )   392 - 399   2003年

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    記述言語:日本語   出版者・発行元:The Surface Science Society of Japan  

    A super-resolution fluorescence microscopy using two-color laser beams was proposed. The microscopy is based on the combination of two-color fluorescence dip spectroscopy and a phase modulation technique for the laser beam. By applying the proposed technique to a laser-scanning microscope, a fluorescence image of a sample can be observed with a spatial resolution overcoming the optical diffraction limit. To demonstrate validity of the microscopy, we constructed a scanning microscope system using commercial nano-second pulse lasers. An image of micro beads containing dye molecules was observed by the microscopy. We succeeded in obtaining the image with a resolution overcoming the diffraction limit in nano-meter scale region. The experimental data showed that the resolution was improved three times at least. The microscopy is expected to be an appropriate analysis method for the samples with nano-meter scale structures.

    DOI: 10.1380/jsssj.24.392

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  • Hydrogen transfer in photo-excited phenol/ammonia clusters by UV-IR-UV ion dip spectroscopy and ab initio molecular orbital calculations. II. Vibrational transitions 査読

    S Ishiuchi, K Daigoku, M Saeki, M Sakai, K Hashimoto, M Fujii

    JOURNAL OF CHEMICAL PHYSICS   117 ( 15 )   7083 - 7093   2002年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    The vibrational spectra of phenol/ammonia clusters (1:2-5) in S-0 and those of their photochemical reaction products, (NH3)(n-1)NH4 (n=2-5), which are generated by excited-state hydrogen transfer, have been measured by UV-IR-UV ion dip spectroscopy. The geometries, IR spectra and normal modes of phenol-(NH3)(n) (n=1-5) have been examined by ab initio molecular orbital calculations, at the second-order Moller-Plesset perturbation theory level with large basis sets. For the n=2 and 3 reaction products, similar vibrational analyses have been carried out. From the geometrical information of reactants and products, it has been suggested that the reaction products have memories of the reactant's structure, which we call "memory effect." (C) 2002 American Institute of Physics.

    DOI: 10.1063/1.1508104

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  • IR-dip and IR-UV hole-burning spectra of jet-cooled 4-aminobenzonitrile-(H2O)(1). Observation of pi-type and sigma-type hydrogen-bonded conformers in the CN site

    K Sakota, N Yamamoto, K Ohashi, M Saeki, S Ishiuchi, M Sakai, M Fujii, H Sekiya

    CHEMICAL PHYSICS   283 ( 1-2 )   209 - 219   2002年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The IR-dip spectra and IR-UV hole-burning spectra of jet-cooled 4-aminobenzonitrile-water 1:1 complex have been measured to investigate the effects of the introduction of two substituents into the aromatic ring on the hydrogen-bonding interaction and stable structures of the complex. We have obtained a clear evidence for the observation of three structural isomers by comparing the experimental IR spectra with the theoretical ones. The water molecule is bonded to the NH2 site in isomer I, where the amino group can act as a proton donor and the amino hydrogen is bonded to the oxygen atom of water. Water is bonded to the CN site in isomers II and III. The structure of isomer II is very similar to benzonitrile-(H2O)(1), where the water hydrogen is bonded to the cyano nitrogen and the oxygen atom of water is bonded to the ortho hydrogen atom. The water hydrogen is linearly hydrogen-bonded to the cyano nitrogen in isomer III. The intermolecular hydrogen bond in isomer II is sigma-type, whereas that in isomer III is pi-type. The proton-donor conformer in the NH2 site and the sigma-type linear conformer in the CN site have not been observed in the aniline-(H2O)(1), and benzonitrile-(H2O)(1) complexes, respectively. The observation of three stable structures has been successfully explained by atomic charges on the constituent atoms obtained by natural population analysis. (C) 2002 Elsevier Science B.V. All rights reserved.

    DOI: 10.1016/S0301-0104(02)00501-3

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  • Hydrogen transfer in photoexcited phenol/ammonia clusters by UV-IR-UV ion dip spectroscopy and ab initio molecular orbital calculations. I. Electronic transitions

    S Ishiuchi, K Daigoku, M Saeki, M Sakai, K Hashimoto, M Fujii

    JOURNAL OF CHEMICAL PHYSICS   117 ( 15 )   7077 - 7082   2002年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    The electronic spectra of reaction products via photoexcited phenol/ammonia clusters (1:2-5) have been measured by UV-near-IR-UV ion dip spectroscopy. Compared with the electronic spectra of hydrogenated ammonia cluster radicals the reaction products have been proven to be (NH3)(n-1)NH4 (n=2-5), which are generated by excited-state hydrogen transfer in PhOH-(NH3)(n). By comparing the experimental results with ab initio molecular orbital calculations at multireference single and double excitation configuration interaction level, it has been found that the reaction products (NH3)(n-1)NH4 (for n=3 and 4), contain some isomers. (C) 2002 American Institute of Physics.

    DOI: 10.1063/1.1508103

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  • Picosecond time-resolved nonresonant ionization detected IR spectroscopy on 7-azaindole dimer

    M Sakai, S Ishiuchi, M Fujii

    EUROPEAN PHYSICAL JOURNAL D   20 ( 3 )   399 - 402   2002年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:SPRINGER-VERLAG  

    The picosecond time-resolved IR spectrum of the 7-azaindole dimer has been measured by picosecond time-resolved nonresonant ionization detected IR spectroscopy. This new time-resolved technique was developed by combining nonresonant ionization detected IR (NID-IR) spectroscopy with tunable picosecond IR and UV lasers. The time-resolved NID-IR spectrum from 2 600 cm(-1) to 3 800 cm(-1) shows a drastic change from 1.5 ps to 11 ps time evolution. A mode-specific vibrational redistribution has been suggested.

    DOI: 10.1140/epjd/e2002-00162-7

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  • Structure of hydrogen-bonded clusters of 7-azaindole studied by IR dip spectroscopy and ab initio molecular orbital calculation (vol 105A, pg 9371, 2001)

    H Yokoyama, H Wantanabe, T Omi, S Ishiuchi, M Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   106 ( 5 )   854 - 854   2002年2月

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    記述言語:英語   出版者・発行元:AMER CHEMICAL SOC  

    DOI: 10.1021/jp014309w

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  • OH- and CH-stretching overtone spectra of catechol

    HG Kjaergaard, DL Howard, DP Schofield, TW Robinson, S Ishiuchi, M Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   106 ( 2 )   258 - 266   2002年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    We have recorded the CH-, OH-, and OD-stretching fundamental and overtone spectra of catechol (1,2-dihydroxybenzene, pyrocatechol) and selectively deuterated catechol. Conventional and intracavity photo-acoustic spectroscopy were used to record room temperature spectra of catechol in solution and in the vapor phase, whereas nonresonant ionization detected spectroscopy was used to study catechol in a supersonic jet. The spectra can be explained in terms of a local mode model with one oscillator for each of the nonequivalent CH, OH, or OD bonds. Intensities of the CH-, OH-, and OD-stretching transitions were calculated with an anharmonic oscillator local mode model and ab initio determined dipole moment functions. Our simple calculations are in good agreement with the observed intensities. Line widths in the jet-cooled spectra are discussed in terms of intramolecular vibrational redistribution. The spectroscopic and theoretical results are in agreement with a relatively weak intramolecular hydrogen bond.

    DOI: 10.1021/jp0124847

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  • The PFI-ZEKE photoelectron spectrum of m-fluorophenol and its aqueous complexes: Comparing intermolecular vibrations in rotational isomers 査読

    K Yosida, K Suzuki, S Ishiuchi, M Sakai, M Fujii, CEH Dessent, K Muller-Dethlefs

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   4 ( 12 )   2534 - 2538   2002年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Pulsed field ionization zero kinetic energy (PFI-ZEKE) photoelectron spectroscopy has been applied to study the cationic ground states of the rotational isomers of m-fluorophenol and its hydrogen-bonded clusters with H2O and D2O. The cis- and trans- monomer isomers are assigned by comparing the observed ionization potentials with values obtained from ab initio calculations (HF/6-31G*). Both monomers display very similar vibrational frequencies, indicating that the geometric structures of the two cations are similar. In contrast, the cis- and trans- aqueous clusters display distinctive intermolecular vibrational frequencies (e.g. the intermolecular stretching vibrations appear at 239 and 228 cm(-1) in the cis- and trans- isomers respectively). The origin of the different intermolecular interactions in the isomeric clusters is discussed with reference to the ab initio calculations.

    DOI: 10.1039/b201107g

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  • Pulsed Field Ionization Zero Kinetic Energy Photoelectron Study on Methylanisole Molecules in a Supersonic Jet

    Keigo Yosida, Kazunari Suzuki, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fujii, Caroline E, H. Dessent, Klaus Muller-Dethlefs

    Phys. Chem. Chem. Phys.   4   2534 - 2538   2002年

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  • Structure of 1-naphthol/alcohol clusters studied by IR dip spectroscopy and ab initio molecular orbital calculations

    M Saeki, S Ishiuchi, M Sakai, M Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   105 ( 44 )   10045 - 10053   2001年11月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The structures of 1-naphthol/alcohol clusters, 1-NpOH(ROH)(n) (n = 1-3; ROH = MeOH, EtOH, and t-BuOH), have been investigated by resonant two-photon ionization (R2PI) spectroscopy and ion-detected IR dip spectroscopy. On the basis of the calculated spectra obtained by ab initio MO calculations, the spectra of 1-NpOH(MeOH)(n) was analyzed. The analysis elucidated that 1-NpOH(MeOH)(2,3) was a ring structure. From a similarity of the spectral pattern, the structures of 1-NpOH(EtOH)(n) and 1-NpOH(t-BuOH)(n) were also determined to be a ring conformation. From a frequency shift of the hydrogen-bonded OH stretching vibration, the hydrogen bonding is weakened by a steric hindrance due to an alkyl group of ROH. The difference in the solvation mechanism between 1-NpOH(MeOH)(n) and 1-NpOH(H2O)(n) is discussed.

    DOI: 10.1021/jp0112469

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  • Structure of hydrogen-bonded clusters of 7-azaindole studied by IR dip spectroscopy and ab initio molecular orbital calculation

    F Yokoyama, H Watanabe, T Omi, S Ishiuchi, M Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   105 ( 41 )   9366 - 9374   2001年10月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The IR spectrum of 7-azaindole monomer, 7-azaindole reactive and nonreactive dimers, and (7-azaindole)(H2O)(n) (n = 1-3) clusters in a supersonic jet from 2600 to 3800 cm(-1) have been measured using IR dip spectroscopy. The vibrational transitions in the ground state were clearly observed and were assigned to the CH and NH stretching vibrations of 7-azaindole and the OH stretching vibrations of water molecules in the clusters. The observed IR spectra of 7-azaindole monomer and (7-azaindole)(H2O)(n) (n = 1-3) clusters were compared to theoretical ones obtained by ab initio MO calculations. From a comparison, it is concluded that (7-azaindole)(H2O)(n) (n = 1-3) clusters have a ring structure due to a cyclic hydrogen-bond network. This conclusion is consistent with an analysis based on high-resolution spectroscopy. Similarly, the IR dip spectrum suggests that the 7-azaindole reactive dimer has a cyclic hydrogen-bond network, forming a symmetric planar structure. It is strongly suggested from the IR spectrum and the ab initio calculations that the nonreactive dimer contains a water molecule between 7-azaindole molecules.

    DOI: 10.1021/jp011245g

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  • レーザー二重共鳴法による気相分子・クラスターの高感度赤外分光計測

    藤井 正明

    レーザー学会学術講演会年次大会講演予稿集 = Annual meeting, of the Laser Society of Japan digest of technical papers   21   155 - 156   2001年1月

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    記述言語:日本語   出版者・発行元:The Laser Society of Japan  

    DOI: 10.2184/lsj.29.Supplement_155

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  • Structures of carbazole-(H2O)n (n = 1-3) clusters studied by IR dip spectroscopy and a quantum chemical calculation

    Makoto Sakai, Kota Daigoku, Shun-ichi Ishiuchi Morihisa Saeki Kenro Hashimoto, Masaaki Fujii

    J. Phys. Chem. A   105   8651   2001年

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  • Picosecond time-resolved infrared spectra of photo-excited phenol-(NH3)3 cluster

    Shun-ichi Ishiuchi Makoto, Sakai Kota, Daigoku, Tadashi Ueda Takaya Yamanaka, Kenro Hashimoto, Masaaki Fujii

    Chem. Phys. Lett.   347   87   2001年

  • Electronic and Infrared Spectra of Jet-cooled 4-aminiobenzonitrile-H2O. Change of NH2 from proton acceptor to proton donor by CN substitution

    Kenji Sakota, Norifumi Yamamoto, Kazuhiko Ohashi, Hiroshi Sekiya, Morihisa Saeki, Shun-ichi Ishiuchi Makoto, Sakai, Masaaki Fujii

    Chem. Phys. Lett.   341   70   2001年

  • Pulsed field ionization zero kinetic energy photoelectron study on methylanisole molecules in a supersonic jet 査読

    S Kinoshita, H Kojima, T Suzuki, T Ichimura, K Yoshida, M Sakai, M Fujii

    PHYSICAL CHEMISTRY CHEMICAL PHYSICS   3 ( 22 )   4889 - 4897   2001年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Pulsed field ionization zero kinetic energy (PFI-ZEKE) photoelectron spectra were measured for jet-cooled o-, m-, and p-methylanisoles for the first time. The low-frequency bands observed at around the origin band in the spectra were assigned to the methyl internal rotational bands of the cations. The potential curves and the Franck-Condon factors for the methyl internal rotational motion were calculated by the one-dimensional free-rotor approximation. The potential barrier height was found to change drastically on ionization, suggesting that the electronic structure should mainly affect the potential barrier of the methyl internal rotation.

    DOI: 10.1039/B105719G

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  • Butterfly vibration of the tetrafluorobenzene cation studied by pulsed field ionization-zero kinetic energy photoelectron spectroscopy

    K Takazawa, M Fujii

    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA   112 ( 1-3 )   241 - 245   2000年11月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Pulsed field ionization-zero kinetic energy photoelectron spectroscopy has been applied to 1,2,4,5-tetrafluorobenzene in a supersonic jet. The spectrum measured by selecting a specific vibronic level of the butterfly vibrational mode in S-1 by the first laser shows a well-resolved vibrational structure of the cation. A long progression has been assigned to the out-of-plane butterfly vibrational mode 11 with an even quantum number in the cation. From the harmonisity and Franck-Condon factor, it has been concluded that the molecular structure of the tetrafluorobenzene cation is hat, though that in S-1 is non-planer along the butterfly vibrational mode. The geometrical change upon ionization is discussed in terms of the electronic structure. (C) 2000 Elsevier Science B.V. All rights reserved.

    DOI: 10.1016/S0368-2048(00)00217-6

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  • Structure and dynamics of 9(10H)-acridone and its hydrated clusters. II. Structural characterization of hydrogen-bonding networks

    M Mitsui, Y Ohshima, S Ishiuchi, M Sakai, M Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   104 ( 38 )   8649 - 8659   2000年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The present paper represents fluorescence-detected infrared measurements of 9(10H)-acridone (AD) and 10 of its fluorescent hydrated clusters, AD-(H2O), (n = 1-5 and more), which have been performed by monitoring the fluorescence from their (1)(pi,pi*) electronic origin transitions reported in paper I. In the n = 1 and 2 clusters, free N-H stretching band has been identified in addition to O-H stretching bands characteristic to water molecules acting as single proton donors. As the next solvation step, the II-bonded O-H stretches are further developed in the red-shifted region and the N-H stretch becomes involved in the hydrogen-bonds for the n = 3-5 clusters. For n greater than or equal to 6, more than one pair of double-donor O-H stretches appear. These spectral features are well correlated to the stepwise evolution in the hydrogen-bonding networks in AD-(H2O)(n), which have been predicted by the (pi,pi*) spectral-shift analysis and DFT calculations presented in paper I: water units are bound to the C=O site for n = I and 2, a single water chain bridges between the C=O and N-H sites above the AD aromatic rings for n = 3-5, and water bridges become branched for n greater than or equal to 6 and probably form three-dimensional cages at higher aggregation levels. Differences in hydrogen-bonding topologies, stabilities, and dynamical behaviors among the conformers are discussed on the basis of the experimental observations, the DFT calculations, and comparison with other hydrated aromatic clusters.

    DOI: 10.1021/jp0010482

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  • Internal methyl group rotation in o-cresol studied by pulsed field ionization-ZEKE photoelectron spectroscopy

    K Suzuki, Y Emura, S Ishiuchi, M Fujii

    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA   108 ( 1-3 )   13 - 20   2000年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Pulsed field ionization-ZEKE photoelectron spectroscopy and (1+1) R2PI spectroscopy have been applied to cis- and trans-o-cresol. The internal rotational structure in S-1 has been re-assigned for the cis-isomer, and the potential curve for the internal rotation has been determined. In the PFI-ZEKE spectra recorded via different internal rotational levels in the S-1 state, well-resolved low-frequency bands have been observed. The low-frequency bands are assigned to the internal rotational motion of the methyl group in the cation. Level energies and relative transition intensities are reproduced well by a one-dimensional rotor model with a three-fold axis potential. Potential curves for the internal rotation have been determined for both cis- and trans-o-cresol cations. The barrier height for the internal rotation is different for the two isomers in the cation, while it becomes similar in S-1. Contributions of steric and electronic factors to the rotational barrier are discussed. (C) 2000 Elsevier Science B.V. All rights reserved.

    DOI: 10.1016/S0368-2048(00)00141-9

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  • Infrared dip spectra of photochemical reaction products in a phenol/ammonia cluster: examination of intracluster hydrogen transfer 査読

    Shun-ichi Ishiuchi Morihisa Saeki Makoto, Sakai, Masaaki Fujii

    Chem. Phys. Lett.   322 ( 1-2 )   27 - 32   2000年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    DOI: 10.1016/S0009-2614(00)00389-4

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  • Structural characterization of the acridine-(H2O)n (n=1-3) clusters by fluorescence-detected infrared spectroscopy

    M Mitsui, Y Ohshima, S Ishiuchi, M Sakai, M Fujii

    CHEMICAL PHYSICS LETTERS   317 ( 3-5 )   211 - 219   2000年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    The vibrational spectra of supersonically cooled acridine-(H2O)(n) (n = 1-3) clusters in the electronic ground state have been measured by fluorescence-detected infrared spectroscopy. The observed O-H stretching fundamentals of the solvent have been analyzed with the aid of density functional theory calculations, to assign the structures of the clusters. In the It = I cluster, the water molecule acts as a proton donor which is hydrogen-bonded to the N atom of acridine. The second (third) water in the higher clusters is further hydrogen-bonded to the first (second) one to form a linear 'water chain', which surrounds an of the acridine molecule approximately in the plane of the aromatic ring. (C) 2000 Elsevier Science B.V. All rights reserved.

    DOI: 10.1016/S0009-2614(99)01386-X

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  • 赤外レーザーによる高振動状態の観測と分子切断

    藤井 正明

    レーザー学会学術講演会年次大会講演予稿集 = Annual meeting, of the Laser Society of Japan digest of technical papers   20   191 - 192   2000年1月

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    記述言語:日本語   出版者・発行元:The Laser Society of Japan  

    DOI: 10.2184/lsj.28.Supplement_191

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  • Pulsed field ionization-ZEKE spectroscopy of cresoles and their aqueous complexes: Internal rotation of methyl group and intermolecular vibrations 査読

    Kazunari Suzuki, Shun-Ichi Ishiuchi, Masaaki Fujii

    Faraday Discussions   115   229 - 243   2000年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:Royal Society of Chemistry  

    Pulsed field ionization-ZEKE photoelectron spectroscopy and (1 + 1) R2PI spectroscopy have been applied to the cis- and trans-m-cresol · H2O clusters. The internal rotational structure in the S1 state has been re-assigned, and the potential curve has been determined for the cluster. The PFI-ZEKE spectra of the cis- and trans-isomers show low-frequency bands up to 1000 cm-1 above the adiabatic ionization potential IP0. The low-frequency bands are assigned to the internal rotation of the methyl group, the intermolecular stretching and their combination bands in the m-cresol · H2O cluster cation. Level energies and relative transition intensities are reproduced well by a one-dimensional rotor model with a three-fold axis potential. Potential curves for the internal rotation have been determined for both cis- and trans-isomers of m-cresol · H2O cations. The effect of the cluster formation upon the internal methyl rotation, and the interaction between the methyl rotation and the intermolecular vibration are discussed.

    DOI: 10.1039/b001093f

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  • Pulsed field ionization-ZEKE spectroscopy of cresoles and their aqueous complexes: Internal rotation of methyl group and intermolecular vibrations

    K Suzuki, S Ishiuchi, M Fujii

    FARADAY DISCUSSIONS   115   229 - 243   2000年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ROYAL SOC CHEMISTRY  

    Pulsed field ionization-ZEKE photoelectron spectroscopy and (1 + 1) R2PI spectroscopy have been applied to the cis- and trans-m-cresol . H2O clusters. The internal rotational structure in the S-1 state has been re-assigned, and the potential curve has been determined for the cluster. The PFI-ZEKE spectra of the cis- and trans-isomers show low-frequency bands up to 1000 cm(-1) above the adiabatic ionization potential IP0. The low-frequency bands are assigned to the internal rotation of the methyl group, the intermolecular stretching and their combination bands in the m-cresol . H2O cluster cation. Level energies and relative transition intensities are reproduced well by a one-dimensional rotor model with a three-fold axis potential. Potential curves for the internal rotation have been determined for both cis- and trans-isomers of m-cresol . H2O cations. The effect of the cluster formation upon the internal methyl rotation, and the interaction between the methyl rotation and the intermolecular vibration are discussed.

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  • Structure of 1-naphthol-water clusters studied by IR dip spectroscopy and ab initio molecular orbital calculations 査読

    R Yoshino, K Hashimoto, T Omi, S Ishiuchi, M Fujii

    JOURNAL OF PHYSICAL CHEMISTRY A   102 ( 31 )   6227 - 6233   1998年7月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The IR spectrum of cis-1-naphthol, trans-1-naphthol, and 1-naphthol .(H2O)(n) (n = 1-3) clusters has been measured by the LR dip spectroscopy in a supersonic jet. The spectra show clear vibrational structures of the monomers and the clusters in the energy region from 3000 to 3800 cm(-1). Observed vibrational transitions are assigned to the OH stretching vibrations of l-naphthol and waters in the clusters. The size dependence of the IR bands and the cluster geometries are analyzed by using the ab initio MO method at the MP2/6-31G level. From the comparison between the observed and calculated IR spectra, we have concluded that the l-naphthol acts as the proton donor and a cyclic hydrogen-bond network is formed in the n = 2 and 3 clusters.

    DOI: 10.1021/jp9815006

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  • Nonresonant ionization detected IR spectrum of jet-cooled phenol. Ionization mechanism and its application to overtone spectroscopy

    S Ishiuchi, H Shitomi, K Takazawa, M Fujii

    CHEMICAL PHYSICS LETTERS   283 ( 3-4 )   243 - 250   1998年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    Vibrational transitions of jet-cooled phenol have been detected by nonresonant two-photon ionization due to a UV laser from 3400 to 14000 cm(-1). The UV frequency dependence of the IR-UV double resonance signals is used for discussion on the mechanism of ionization. The spectrum shows a well-resolved structure due to the first to the fourth quantum of OH stretching vibrations, CH overtones and various combination vibrations. The vibrational frequency, anharmonicity and the dissociation energy of the OH stretching mode has been measured. The bandwidth of the OH overtone is found to decrease with increase in the vibrational quantum number. (C) 1998 Elsevier Science B.V.

    DOI: 10.1016/S0009-2614(97)01351-1

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  • Overtone spectroscopy of jet-cooled phenol studied by nonresonant ionization detected IR spectroscopy 査読

    S Ishiuchi, M Fujii

    RESONANCE IONIZATION SPECTROSCOPY   454   137 - 142   1998年

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    記述言語:英語   掲載種別:研究論文(国際会議プロシーディングス)   出版者・発行元:AMER INST PHYSICS  

    Vibrational transitions of jet-cooled phenol-h(6) and phenol-d(5) have been measured from 2400 cm(-1) to 14000 cm(-1) by nonresonant ionization detected IR spectroscopy. The spectrum shows a well-resolved structure due to the first to the fourth quantum of OH stretching vibrations, CII and CD overtones and various kinds of combination vibrations. It is found that the bandwidth of the OH overtone in phenol-h(6) decreases with increase in the vibrational quantum number, while that in phenol-d(5) decreases. The origin of the bandwidth is discussed in terms of intramolecular vibrational redistribution.

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  • 非線形分光法:原理と応用 IV.高励起電子状態の2波長二重共鳴分光

    藤井 正明

    分光研究 = Journal of the spectroscopical research of Japan   46 ( 4 )   211 - 220   1997年8月

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    記述言語:日本語   出版者・発行元:The Spectroscopical Society of Japan  

    DOI: 10.5111/bunkou.46.211

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    その他リンク: https://jlc.jst.go.jp/DN/JALC/00048345293?from=CiNii

  • レーザーによる高振動励起分子の観測と反応制御の可能性

    藤井 正明

    レーザー研究   27 ( 6 )   404 - 410   1996年6月

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    記述言語:日本語   出版者・発行元:The Laser Society of Japan  

    New spectroscopic technique which detects IR transition with high sensitivity is introduced asa tool to study laserreaction control by vibrational excitation. This spectroscopy, nonresonant ionization detectedIR spectroscopy isIR-UV double resonance spectroscopy which detects a vibrationally excited molecule by selective ionizationdue to UV laser. Vibrational transitions of jet-cooled phenol have been detected by Nonresonant IonizationDetected (NID) -IR spectroscopy from 3400 cm-1 to 14000 cm-1. The bandwidth of the OH overtone is foundto decrease with increase in the vibrational quantum number. Relaxation of the vibrationally excited moleculeand its application to reaction control are discussed.

    DOI: 10.2184/lsj.27.404

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    その他リンク: https://jlc.jst.go.jp/DN/JALC/00061251687?from=CiNii

  • Overtone spectroscopy in nitrous oxide 査読

    Alain Campargue, Dmitri Permogorov, Mohamed Bach, Mohammed Abbouti Temsamani, Jean Vander Auwera, Michel Herman, Masaaki Fujii

    The Journal of Chemical Physics   103 ( 14 )   5931 - 5938   1995年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The near infrared and visible absorption spectrum of nitrous oxide 14N2 16O has been recorded by Fourier transform absorption spectroscopy, between 6500 and 11 000 cm-1, and by Intracavity Laser Absorption Spectroscopy, between 11700 and 15 000 cm -1. Nineteen new bands are observed and, altogether, 34 cold and 10 hot bands are rotationally analyzed. The related upper term values, vibrational assignments, and principal rotational constants, as well as the relative band intensities are quantitatively discussed in terms of the formation of vibrational clusters, on the basis of the effective Hamiltonian developed by J. L. Teffo, V. I. Perevalov and O. M. Lyulin [J. Mol. Spectrosc. 168, 390 (1994)]. © 1995 American Institute of Physics.

    DOI: 10.1063/1.470473

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  • Electronic spectra of o-, m- and p-tolunitrile-substituent effect on internal rotation of the methyl group 査読

    Masaaki Fujii, Masayo Yamauchi, Ken Takazawa, Mitsuo Ito

    Spectrochimica Acta Part A: Molecular Spectroscopy   50 ( 8-9 )   1421 - 1433   1994年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The S1 ← S0 fluorescence excitation spectra and the S1→S0 dispersed fluorescence spectra of o-, m-and p-tolunitrile were measured in supersonic jets. Low-frequency bands due to internal rotation of the methyl group were observed in m- and p-tolunitrile. Observed band positions and relative intensities of the internal rotational bands were reproduced by a calculation using a free rotor basis set. From the analysis, the potential curve of the internal rotation was determined in both S1 and S0. It was found that the barrier height increases in going from S0 to S1 in m-tolunitrile, while it decreases in p-tolunitrile. In contrast, no low-frequency band was found in o-tolunitrile. It is concluded that the potential curve in o-tolunitrile does not change in going from S0 to S1. The change of the barrier height by electronic excitation in tolunitriles differs greatly from that observed in other toluene derivatives. It is suggested that the electronic properties of a substituent are important for the methyl rotation in the excited state. © 1994.

    DOI: 10.1016/0584-8539(94)E0052-C

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  • OH STRETCHING VIBRATIONS OF PHENOL-(H2O)N(N=1-3) COMPLEXES OBSERVED BY IR-UV DOUBLE-RESONANCE SPECTROSCOPY 査読

    S TANABE, T EBATA, M FUJII, N MIKAMI

    CHEMICAL PHYSICS LETTERS   215 ( 4 )   347 - 352   1993年12月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    OH stretching vibrations of jet-cooled phenol and phenol-(H2O)(n) (n = 1-3) complexes were investigated by IR-W double-resonance spectroscopy. The stretching vibrations of the H2O moieties as well as that of the phenol moiety were observed for the complexes. A remarkable red-shift with increase of n was found for the phenolic OH vibration. The symmetric (v(1)) vibrations of the H2O moieties exhibit large red-shifts and splittings, while the antisymmetric (v(3)) vibrations show small red-shifts with small splittings. The spectral feature of the H2O moieties in the complexes was found to be quite similar to that of the pure (H2O)(n). The result suggests the complexes have structures such that the hydrogen bond is formed between phenol and the (H2O)(n) clusters.

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  • INTERNAL-ROTATION OF THE METHYL-GROUP IN FLUOROTOLUENE CATIONS AS STUDIED BY PULSED-FIELD IONIZATION-ZERO KINETIC-ENERGY SPECTROSCOPY 査読

    K TAKAZAWA, M FUJII, M ITO

    JOURNAL OF CHEMICAL PHYSICS   99 ( 5 )   3205 - 3217   1993年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER INST PHYSICS  

    Pulsed field ionization spectra of o-, m-, and p-fluorotoluenes were observed. The spectrum shows a well-resolved structure due to internal rotation of the methyl group in fluorotoluene cations. Observed level energies and relative intensities were reproduced by a one-dimensional periodic potential with a free-rotor basis set. The analysis shows a great increase in the rotational barrier by ionization for all the fluorotoluenes. It was also found that rotational constant of the internal rotation decreases significantly when the barrier height increases drastically by ionization. From the correlation between the barrier height and the internal rotational constant, the increase of the rotational barrier is explained by the increase of the steric hindrance due to the geometrical change by ionization. The vibronic coupling between very high Rydberg states through the methyl rotational motion was suggested by the strong appearance of the a2-a1 forbidden transition in the PFI spectrum.

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  • PULSED-FIELD-IONIZATION SPECTROSCOPY FOR THE STUDY OF MOLECULAR CATIONS 査読

    K TAKAZAWA, M FUJII, T EBATA, M ITO

    CHEMICAL PHYSICS LETTERS   189 ( 6 )   592 - 597   1992年2月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    It is shown that pulsed-field-ionization (PFI) spectroscopy using usual MPI apparatus without any magnetic shielding gives the spectra of molecular cations comparable to those obtained by ZEKE spectroscopy which requires a thorough magnetic shielding. The electrons detected by PFI spectroscopy were proved to come from very high Rydberg states of a neutral molecule near the convergence limit. The potential of PFI spectroscopy for the study of the vibrational structures of cations is demonstrated for the cations of DABCO, 1,2,4,5-tetrafluorobenzene and m-fluorotoluene.

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  • ELECTRONIC-SPECTRA OF ORTHO-DIFLUOROBENZENE, META-DIFLUOROBENZENE, AND PARA-DIFLUOROBENZENE CATIONS - STRIKING SIMILARITY IN VIBRONIC COUPLING BETWEEN THE NEUTRAL MOLECULE AND ITS CATION 査読

    Y TSUCHIYA, K TAKAZAWA, M FUJII, M ITO

    JOURNAL OF PHYSICAL CHEMISTRY   96 ( 1 )   99 - 104   1992年1月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    The D(pi,pi) &lt;-- D0 transitions of m- and omicron-difluorobenzene (DFB) cations prepared by two-color REMPI have been observed by dissociation spectroscopy. All the spectra due to the transitions from different vibrational levels in D0 showed well-resolved vibrational structures. The spectral analysis indicates the existence of a strong vibronic coupling between the D(pi,pi) state and a nearby D(sigma,pi) state for both m- and omicron-DFB cations. The D(pi,pi) state was found to be the lowest excited state, contrary to the generally accepted criterion that the lowest excited state of the nonemissive fluorobenzene cation is D(sigma,pi). It was found that the out-of-plane vibration responsible for the vibronic coupling is exactly the same as that of the corresponding neutral molecule in S1 for all the difluorobenzene (ortho, meta, and para) cations, indicating similarity in their electronic states.

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  • Two-color double resonance spectroscopy via à 1A u state of acetylene: 3p Rydberg state and its Renner-Teller effect 査読

    Makoto Takahashi, Masaaki Fujii, Mitsuo Ito

    The Journal of Chemical Physics   96 ( 9 )   6486 - 6494   1992年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The two-color double resonance multiphoton ionization spectra due to the transitions from various rovibrational levels of the à 1A u state of acetylene to the 3p Rydberg state have been measured. The observed spectra showed large dependence on the quantum number K. It was concluded from the spectral analysis that the geometry of the 3p Rydberg state is linear. The spectra also showed a long progression of the trans-bending vibration, supporting the linear structure. The trans-bending progression belonging to the 1Δg electronic state showed the Renner-Teller splittings. The observed splittings were reproduced by the calculation using the formulas for a linear triatomic molecule in a Δ electronic state. © 1992 American Institute of Physics.

    DOI: 10.1063/1.462587

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  • Electronic spectra of fluorobenzene cations as studied by mass-selected ion dip spectroscopy 査読

    Masaaki Fujii, Yuko Tsuchiya, Mitsuo Ito

    Journal of Molecular Structure   249 ( 1 )   55 - 68   1991年8月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The application of mass-selected ion dip spectroscopy to the study of the electronic excited state of benzene cation and its fluorine substituted cations is described. The emissive property of the fluorinated benzene cation is discussed in terms of its electronic structure and the vibronic coupling. The importance of the pseudo Jahn-Teller interaction between the ground state and low-lying σπ state for the relaxation process of the ππ state is suggested. © 1991.

    DOI: 10.1016/0022-2860(91)85054-7

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  • Predissociation of the acetylene à 1Au, state and its mechanism 査読

    Akimitsu Haijima, Masaaki Fujii, Mitsuo Ito

    The Journal of Chemical Physics   92 ( 2 )   959 - 968   1990年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The fluorescence excitation spectrum, the MPI spectrum, and the absorption spectrum of acetylene were observed for the à 1A u←X̃1Σg + band system in a static gas cell and in a supersonic jet. A sudden and drastic decrease in fluorescence quantum yield, Φf, was found between the V 4K2 (46 339 cm-1) and 21V 3K0 (46 673 cm-1) sublevels. The decrease in Φf, is concluded to be due to the predissociation into C 2H + H. J dependence of Φf was found for the V 4K1 vibronic sublevel, while it is absent for the level lying above V4K1. From the observed J dependence, the predissociation mechanism was concluded to be vibrational predissociation by tunneling through a potential barrier. © 1990 American Institute of Physics.

    DOI: 10.1063/1.458078

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  • Predissociation of acetylene in à 1Au state 査読

    Masaaki Fujii, Akimitsu Haijima, Mitsuo Ito

    Chemical Physics Letters   150 ( 6 )   380 - 385   1988年9月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The fluorescence excitation spectrum, the MPI spectrum, and the absorption spectrum of acetylene due to the à 1Au←X̃ transition were observed in a gas and in a supersonic jet. A sudden decrease in the fluorescence quantum yield Φf was found above the V4 K2 (46339 cm-1) vibronic sublevel. The decrease is due to predissociation into C2H + H. A K and J dependence on Φf was also found. © 1988.

    DOI: 10.1016/0009-2614(88)80423-8

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  • Jahn-Teller splitting induced by penetration of the 4p Rydberg electron in 1,4-diazabicyclo[2.2.2]octane 査読

    Masaaki Fujii, Yuko Tsuchiya, Mitsuo Ito

    Journal of Physical Chemistry   92 ( 9 )   2398 - 2400   1988年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The two-color fluorescence dip spectra of 1,4-diazabicyclo[2.2.2]octane (DABCO) in the vapor and in the supersonic jet have been observed by using various vibronic levels in S1 as intermediate states. Jahn-Teller splitting was found for the 4p Rydberg state, and the splitting rapidly decreases with an increase of the principal quantum number. This is a new type of Jahn-Teller splitting which is induced by the penetration of the Rydberg electron into the ion core. © 1988 American Chemical Society.

    DOI: 10.1021/j100320a002

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  • Keto-enol tautomer of uracil and thymine 査読

    Yuko Tsuchiya, Teruhiko Tamura, Masaaki Fujii, Mitsuo Ito

    Journal of Physical Chemistry   92 ( 7 )   1760 - 1765   1988年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    The fluorescence excitation and dispersed fluorescence spectra of jet-cooled uracil, thymine, and their derivatives have been observed. Two band systems having well-resolved vibrational structures were found for uracil and thymine in the frequency region from 31 000 to 38 000 cm-1, which corresponds to the region of the long tail in the vapor absorption spectrum. The shorter wavelength band system (system I) was identified as the S1(n,π*) ← S0 transition of the diketo tautomer, while the longer wavelength system (system II) was assigned to the S1(n,π*) ← S0 transition of one of the keto-enol tautomers. Successful detection of a very small amount of the keto-enol tautomer is due to a high fluorescence yield of the keto-enol tautomer. The nature of the S1,(n,π*) states of the tautomers and the hydrogen-bonded complexes with water are also discussed. © 1988 American Chemical Society.

    DOI: 10.1021/j100318a013

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  • Selection rule and efficiency for autoionization of diazabicyclooctane as studied by two-color double-resonance spectroscopy 査読

    Masaaki Fujii, Kenji Sato, Katsumi Kimura

    Journal of Physical Chemistry   91 ( 26 )   6507 - 6510   1987年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)  

    Photoelectron spectra due to autoionization for two series of high Rydberg states have been observed for diazabicyclooctane (DABCO) in a supersonic jet. The selection rule of the autoionization has been found to be Δv = -1 for each vibrational mode involved in the Rydberg states, consistent with Berry's theory available for the vibrational autoionization of a polyatomic molecule. The relative autoionization efficiencies Φa for the high Rydberg series have also been determined from two-color MPI and fluorescence dip spectra. The irregular variation of Φa with the principal quantum number n has been found for the two Rydberg series, suggesting the irregular variation in their nonradiative rates. © 1987 American Chemical Society.

    DOI: 10.1021/j100310a017

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  • 2-COLOR MULTIPHOTON IONIZATION SPECTRA OF JET-COOLED PARA-DIFLUOROBENZENE - S AND D RYDBERG STATES 査読

    M FUJII, T KAKINUMA, N MIKAMI, M ITO

    CHEMICAL PHYSICS LETTERS   127 ( 4 )   297 - 302   1986年6月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

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  • SENSITIZED PHOSPHORESCENCE EXCITATION-SPECTRA OF COMPLEXES OF GLYOXAL, PYRAZINE, AND PHENOL - GREAT ENHANCEMENT OF PHOSPHORESCENCE YIELD BY COMPLEXATION 査読

    A GOTO, M FUJII, N MIKAMI, M ITO

    JOURNAL OF PHYSICAL CHEMISTRY   90 ( 11 )   2370 - 2374   1986年5月

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

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  • HIGHER SINGLET AND TRIPLET N,PI-STAR STATES OF GLYOXAL VAPOR 査読

    A GOTO, M FUJII, N MIKAMI, M ITO

    CHEMICAL PHYSICS LETTERS   119 ( 1 )   17 - 21   1985年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

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  • 二波長イオン化法によるリュードベリ状態の無ふく射過程の状況

    藤井 正明, 三上 直彦, 伊藤 光男

    分光研究   34 ( 6 )   379 - 380   1985年

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    記述言語:日本語   出版者・発行元:The Spectroscopical Society of Japan  

    DOI: 10.5111/bunkou.34.379

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  • RYDBERG STATES (N=4-29) OF AZABICYCLO [2.2.2] OCTANE AS STUDIED BY 2-COLOR FLUORESCENCE DIP AND MULTIPHOTON IONIZATION SPECTROSCOPIES

    M FUJII, N MIKAMI, M ITO

    CHEMICAL PHYSICS   99 ( 1 )   193 - 206   1985年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    DOI: 10.1016/0301-0104(85)80118-X

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  • 2-COLOR MULTIPHOTON IONIZATION AND FLUORESCENCE DIP SPECTRA OF DIAZABICYCLO[2.2.2]OCTANE IN A SUPERSONIC FREE JET - RYDBERG STATES (N=5-39) AND AUTOIONIZATION

    M FUJII, T EBATA, N MIKAMI, M ITO

    JOURNAL OF PHYSICAL CHEMISTRY   88 ( 19 )   4265 - 4271   1984年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:AMER CHEMICAL SOC  

    DOI: 10.1021/j150663a016

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  • MODE-DEPENDENT INTRAMOLECULAR VIBRATIONAL REDISTRIBUTION IN THE S1 STATE OF JET-COOLED PARA-DIFLUOROBENZENE

    M FUJII, T EBATA, N MIKAMI, M ITO, SH KABLE, WD LAWRANCE, TB PARSONS, AEW KNIGHT

    JOURNAL OF PHYSICAL CHEMISTRY   88 ( 14 )   2937 - 2940   1984年

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    記述言語:英語   出版者・発行元:AMER CHEMICAL SOC  

    DOI: 10.1021/j150658a005

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  • ROTATIONAL ENERGY-TRANSFER IN NO (A2-SIGMA+, V = 0 AND 1) STUDIED BY 2-COLOR DOUBLE-RESONANCE SPECTROSCOPY

    T EBATA, Y ANEZAKI, M FUJII, N MIKAMI, M ITO

    CHEMICAL PHYSICS   84 ( 1 )   151 - 157   1984年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    DOI: 10.1016/0301-0104(84)80012-9

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  • 2-COLOR MULTIPHOTON IONIZATION OF DIAZABICYCLOOCTANE IN A SUPERSONIC FREE JET

    M FUJII, T EBATA, N MIKAMI, M ITO

    CHEMICAL PHYSICS LETTERS   101 ( 6 )   578 - 582   1983年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    DOI: 10.1016/0009-2614(83)87036-5

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  • ELECTRONIC-SPECTRA OF JET-COOLED AZULENE

    M FUJII, T EBATA, N MIKAMI, M ITO

    CHEMICAL PHYSICS   77 ( 2 )   191 - 200   1983年

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    記述言語:英語   掲載種別:研究論文(学術雑誌)   出版者・発行元:ELSEVIER SCIENCE BV  

    DOI: 10.1016/0301-0104(83)85076-9

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  • HIGH RYDBERG STATES OF NO STUDIED BY 2-COLOR MULTIPHOTON SPECTROSCOPY

    T EBATA, Y ANEZAKI, M FUJII, N MIKAMI, M ITO

    JOURNAL OF PHYSICAL CHEMISTRY   87 ( 24 )   4773 - 4776   1983年

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    記述言語:英語   出版者・発行元:AMER CHEMICAL SOC  

    DOI: 10.1021/j150642a001

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MISC

  • IR super-resolution microscopy

    Makoto Sakai, Masaaki Fujii

    Kobunshi   64 ( 9 )   588 - 589   2015年9月

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    記述言語:日本語   掲載種別:書評論文,書評,文献紹介等   出版者・発行元:Society of Polymer Science  

    For many years, spatial resolution was the most critical problem in IR microscopy. This is because the spatial resolution of a conventional IR microscope is restricted by the diffraction limit, which is almost the same as the wavelength of IR light, ranging from 2.5 to 25 urn. In the recent years, we have developed two novel types of far-field IR super-resolution microscopes using 2-color laser spectroscopies, transient fluorescence detected IR spectroscopy and vibrational sum-frequency generation (VSFG) spectroscopy. Applying these methods, in which both transient fluorescence and VSFG signal have a wavelength in the visible region, the image is observed at the resolution of visible light, which is about 10 times smaller than that of IR light, that is, IR super-resolution. By using these techniques, we can map the specific IR absorption with a sub-micrometer spatial resolution, visualization of the molecular structure includung molecular orientations in a non-uniform environment becomes a possibility.

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  • トラック間非同期瓦記録用繰り返し適応ITIキャンセラ

    藤井 正明

    電子情報通信学会技術研究報告. MR, 磁気記録   111 ( 233 )   43 - 50   2011年10月

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    記述言語:英語   出版者・発行元:一般社団法人電子情報通信学会  

    高密度記録を実現する瓦記録方式においてはトラック間非同期書き込みに起因するクロック周波数差が存在するため幅広再生ヘッドにより読み出される再生信号は時変トラック間干渉(ITI)を受ける。本稿では符号間干渉と時変トラック間干渉に対処する繰り返し適応ITIキャンセラを提案する。繰り返し適応ITIキャンセラは、マルチトラックソフト干渉キャンセラ、2次元パーシャルレスポンス(TDPR)フィルタ、チャネル推定器を1次元/2次元切り替えmax-log-MAP検出器の各状態においてper-survivor processingを行い時変ITIに追従させながらLDPC復号器から書き込み信号のソフトレプリカを生成して繰り返しソフト干渉キャンセルを行う。また、チャネル内挿とTDPRフィルタ間欠制御により演算量の削減を行う。計算機シミュレーションにより提案方式はトラック間クロック周波数差0.02%においてオフトラック率が50%程度までITIが無い場合のビット誤り率に近い信号検出・復号特性が得られ、また、BER特性の劣化を0.6dB程度許容することにより演算量を大幅に削減できることを示す。

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  • 多元LDPC符号化2次元磁気記録用繰り返しITIキャンセラ

    藤井 正明

    電子情報通信学会技術研究報告. MR, 磁気記録   111 ( 233 )   51 - 58   2011年10月

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    記述言語:英語   出版者・発行元:一般社団法人電子情報通信学会  

    高密度記録を実現する2次元磁気記録方式においては幅広再生ヘッドをトラック中央に沿って走査して読み出された再生信号は両側隣接トラックからトラック間干渉(ITI)を受ける。本稿では多元LDPC符号化2次元磁気記録用に符号間干渉と両側隣接トラック間干渉に対処する繰り返しマルチトラックITIキャンセラを提案する。繰り返しITIキャンセラは、マルチトラックソフト干渉キャンセラ、2次元パーシャルレスポンスフィルタ、雑音予測max-log-MAP検出器及び多元LDPC復号器から構成され、2次元記録領域内のマルチトラック信号が1つの符号語から構成されることを利用して、繰り返しソフト干渉キャンセルを行う。計算機シミュレーションにより提案方式は両側オフトラック率が50%程度までITIが無い場合のフレーム誤り率に近い信号検出・復号特性が得られることを示す。

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  • C-7-2 多元LDPC符号化2次元磁気記録用繰り返しITIキャンセラ(C-7.磁気記録・情報ストレージ,一般セッション)

    藤井 正明

    電子情報通信学会ソサイエティ大会講演論文集   2011 ( 2 )   25 - 25   2011年8月

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    記述言語:日本語   出版者・発行元:一般社団法人電子情報通信学会  

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  • CS-3-4 トラック間非同期瓦記録用繰り返し適応ITIキャンセラ(CS-3.情報ストレージのための最新要素技術と動向,シンポジウムセッション)

    藤井 正明

    電子情報通信学会総合大会講演論文集   2011 ( 2 )   "S - 13"   2011年2月

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    記述言語:日本語   出版者・発行元:一般社団法人電子情報通信学会  

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  • Real time observation of excited state hydrogen transfer reaction in phenol-(NH3)(n) (n=4, 5) clusters by ps time resolved infrared spectroscopy

    Miyazaki, Mitsuhiko, Ishiuchi, Shun-ichi, Sakai, Makoto, Fujii, Masaaki

    Abstracts of Papers of the American Chemical Society   238   2009年

  • 周波数選択性フェージングチャネルにおけるアダプティブアレーとMLSEの結合処理方式の特性に関する一検討

    藤井 正明

    電子情報通信学会技術研究報告. RCS, 無線通信システム   96 ( 212 )   21 - 26   1996年8月

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    記述言語:日本語   出版者・発行元:一般社団法人電子情報通信学会  

    本稿では, アダプティブアレーとMLSEの結合処理によりMLSEの等化可能範囲を越える遅延波をアダブティブアレーで抑圧する方法について検討している. 提案方式は, アダプティブアレーで直接波と1シンボル遅延波の合成信号を希望波として取り込んでMLSEで合成し, アレー出力を入力としてMLSEが生成するレプリカをアダプテイブアレー制御用参照信号として不要波を抑圧するよう動作する. そのため, 提案方式は, アダブテイブアレーに対してパスダイバーシチ効果を得ることができ, また, MLSEの等化可能範囲を越える遅延波が存在する場合にMLSEに対してBER特性を改善できることが明らかとなった.

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  • アダプティブアレーアンテナとMLSEの結合処理におけるブランチメトリック合成の効果に関する一検討

    藤井正明

    1996年電子情報通信学会総合大会, 3月   501 - 501   1996年

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    記述言語:日本語   出版者・発行元:一般社団法人電子情報通信学会  

    本稿ではアダプティブアレーアンテナとMLSEの結合処理方式においてブランチメトリック合成(BMC)に拡張した場合の到来角度に対するビット誤り率(BER)特性改善効果について計算機シミュレーションにより検討したので報告する。

    CiNii Books

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  • アダプティブアレーアンテナとMLSEの結合処理によるマルチパス分離・合成法に関する一検討

    藤井 正明

    電子情報通信学会技術研究報告. RCS, 無線通信システム   95 ( 390 )   1 - 6   1995年11月

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    記述言語:日本語   出版者・発行元:一般社団法人電子情報通信学会  

    本稿では、アダプティブアレーアンテナとMLSEの結合処理により複数希望波を分離合成する方法について検討している。提案方式は、アダプティブアレーアンテナで遅延時間の異なる複数波の合成信号を希望波として取り込んでMLSEで合成し、アレー出力を入力としてMLSEが生成するレプリカをアダプティブアレーアンテナ制御用参照信号として不要波を抑圧するよう動作する。そのため、提案方式は、従来方式に比較して到来波間の遅延時間差が長く、到来波間の角度の狭い複数の信号が存在する場合においてもBER特性を改善できることが明らかとなった。

    CiNii Books

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▼全件表示

講演・口頭発表等

  • Double Ion Trap Laser Spectroscopy on Biological Motif for Molecular & Ion Recognition– Temperature Effect 招待

    Masaaki Fujii

    8th Asian Spectroscopy Conference  2023年9月 

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  • Hydration-Induced Protomer Switching in p-Aminobenzoic Acid Studied by Cold Double Ion Trap Infrared Spectroscopy 招待

    Masaaki Fujii

    Seminar in Xantheas Lab of PNNL  2023年5月 

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  • Ion recognition mechanism beyond the size-matching model – Cold ion trap- IR spectroscopy of valinomycin - alkali metal ion complexes 招待

    Masaaki Fujii

    Physical Chemistry Seminar at the University of Washington  2023年5月 

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  • Ion Transportation in the Magnesium Channel: Insights From the Stepwise Hydration of [CH3COOMg]+ 招待

    Masaaki Fujii

    Symposium “40 years of gas phase laser spectroscopy: an ongoing story”  2022年9月 

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  • Double Ion Trap Laser Spectroscopy on Biological Motif for Molecular Recognition - Temperature Effect 招待

    Masaaki Fujii

    Gordon Research Conference : Molecular & Ionic Clusters  2022年8月 

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  • Ionisation induced solvent switching – Manchester • Berlin • Tokyo International collaboration 招待

    Masaaki Fujii

    Tokyo Institute of Technology and University of Manchester Joint Seminar  2021年11月 

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  • Cold Ion Trap Infrared Spectroscopy on Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in K+ Channels - Ion Selectivity and Hydration 招待

    Masaaki Fujii

    11th Asian Photochemistry Conference (APC 2021)  2021年11月 

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  • Cold Ion Trap Infrared Spectroscopy of Alkali Metal Ions Complexes with a Partial Peptide of the Selectivity Filter in Potassium Channels 招待

    Masaaki Fujii

    IUPAC | CCCE 2021  2021年8月 

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  • Revealing the role of excited state proton transfer (ESPT) in excited statehydrogen transfer (ESHT): systematic study in phenol–(NH3)n clusters 招待

    Masaaki Fujii

    36th Symposium on Chemical Kinetics and Dynamics  2021年6月 

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  • Panel Discussion "Building a “world research hub”: beyond Covid-19" 招待

    Masaaki Fujii

    Tokyo Tech World Research Hub Initiative (WRHI) Online International Symposium  2020年11月 

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  • Microsolvation and Hydrogen-Bonding 招待

    Masaaki Fujii

    Gordon Research Conferences: Molecular and Ionic Clusters 2020  2020年1月 

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  • Bottom-up Approach to Molecular Recognition in Biological Systems: ESI / Cold Ion Trap Spectroscopy 招待

    Masaaki Fujii

    International Symposium Frontiers in Cluster Science: Structure and Dynamics  2019年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Bottom-up approach to ion-selectivity in biological system by electrospray-cold ion trap laser spectroscopy 招待

    Masaaki Fujii

    Seminar in YP Lab  2019年10月 

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    会議種別:口頭発表(招待・特別)  

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  • Bottom-Up Approach to the Molecular Recognition of Adrenaline Receptor by Electrospray-Cold Ion Trap IR Laser Spectroscopy 招待

    Masaaki Fujii

    10th International Conference on Advanced Vibrational Spectroscopy (ICAVS10)  2019年7月 

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    会議種別:口頭発表(招待・特別)  

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  • Overview : Non-covalent Interactions: A Challenge to Experiment and Theory 招待

    Masaaki Fujii

    Manchester International Symposium: “Highly Excited States, Many-body and Non-covalent Interactions”  2019年6月 

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    会議種別:口頭発表(招待・特別)  

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  • Bottom-Up Approach to Biological Molecular Recognition - Electrospray-Cold Ion Trap Laser Spectroscopy on Binding Motif of Adrenergic Receptor 招待

    Masaaki Fujii

    Seminar in DICP  2018年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Chiral recognition in protonated molecular clusters studied by mass-coupled IR-UV double resonance spectroscopy with cold ion trap 招待

    Masaaki Fujii

    22nd International Mass Spectrometry Conference 2018 (IMSC2018)  2018年8月 

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    会議種別:口頭発表(招待・特別)  

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  • Cluster and Condensed Phase Dynamics 招待

    Masaaki Fujii

    Gordon Research Conferences: Molecular and Ionic Clusters 2018  2018年2月 

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    会議種別:口頭発表(招待・特別)  

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  • Time-resolved IR/NIR spectroscopy on excited state hydrogen transfer in phenol-ammonia clusters - electron-proton decoupling and effect of triplet state 招待

    Masaaki Fujii

    W?rzburg seminar  2017年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Electrosplay / cold ion trap laser spectroscopy on bomolecules - Bottom-up approach to molecular recognition in biological systems 招待

    Masaaki Fujii

    SEMINAIRE ISMO  2017年10月 

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    会議種別:口頭発表(招待・特別)  

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  • Bottom-up Spectroscopic Approach to Molecular Recognition in Neurotransmitter Systems ? ESI / Cold Ion Trap Laser Spectroscopy of Molecular Complex of Adrenaline Receptor Pocket 招待

    Masaaki Fujii

    The 6th Asian Spectroscopy Conference (ASC2017)  2017年9月 

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    会議種別:口頭発表(招待・特別)  

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  • ESI / cold ion trap laser spectroscopy on biomolecules - Bottom-up approach to molecular recognition in neurotransmitter systems 招待

    Masaaki Fujii

    Research Seminar  2017年8月 

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    会議種別:口頭発表(招待・特別)  

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  • Watching Water Migration around Aromatic Molecules at the Single-Molecular Level by picosecond time-resolved IR-UV double resonance spectroscopy 招待

    Masaaki Fujii

    International Workshop “Present and Future of Ultrafast Spectroscopy”  2017年3月 

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    会議種別:口頭発表(招待・特別)  

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  • Electrosplay / cold ion trap laser spectroscopy on partial peptide of adrenaline receptor and its complex with neurotransmitters - Bottom-up approach to molecular recognition in biological system 招待

    Masaaki Fujii

    Winter School the Brain Korea 21 Plus(BK21+) program  2017年2月 

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    会議種別:口頭発表(招待・特別)  

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  • Watching Water Migration around Aromatic Molecules at the Single-Molecular Level 招待

    Masaaki Fujii

    Division C Seminar  2016年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Ionization Induced π-H Site Switching in?Resorcinol-Ar Clusters 招待

    Masaaki Fujii

    AG Dopfer Group Seminar  2016年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Probing solvation dynamics at a single molecular level 招待

    Masaaki Fujii

    International symposium: Recent Progress in Molecular Spectroscopy and Dynamics  2016年7月 

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    会議種別:口頭発表(招待・特別)  

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  • Vibrational spectroscopy on partial peptides SIVSF of adrenaline receptor 招待

    Masaaki Fujii

    251th American Chemical Society National Meeting & Exposition  2016年3月 

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    会議種別:口頭発表(招待・特別)  

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  • Picosecond Time-Resolved IR/NIR Spectroscopy on Intra-Cluster Structural Dynamics 招待

    Masaaki Fujii

    Gordon Research Conferences: Molecular and Ionic Clusters 2016  2016年1月 

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    会議種別:口頭発表(招待・特別)  

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  • Watching solvent migration dynamics in clusters by picosecond time-resolved IR spectroscopy 招待

    Masaaki Fujii

    The 2015 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2015)  2015年12月 

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    会議種別:口頭発表(招待・特別)  

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  • Vibrational imaging by two-color infrared microscope 招待

    Masaaki Fujii

    The 2015 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2015)  2015年12月 

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    会議種別:口頭発表(招待・特別)  

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  • Water Migration Dynamics Studied by Picosecond Time-Resolved IR Spectroscopy 招待

    Masaaki Fujii

    PIIM Seminar  2015年10月 

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    会議種別:口頭発表(招待・特別)  

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  • Gas Phase Spectroscopy of Neurotransmitters and Partial Peptides of Receptor by IR-UV Double Resonance Spectroscopy 招待

    Masaaki Fujii

    The Australasian Spectroscopy Conferences (The 11th Australian Conference on Vibrational Spectrosocpy: ACOVS11 and the 5th Asian Spectroscopy Conference: ASC5)  2015年9月 

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    会議種別:口頭発表(招待・特別)  

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  • ESI / Cold Ion Trap Machine 招待

    Masaaki Fujii

    TU Berlin AG Dopfer seminar  2015年6月 

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    会議種別:口頭発表(招待・特別)  

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  • Mid-infrared spectroscopy for ground and excited state proton transfer in phenol/naphthol?ammonia clusters 招待

    Masaaki Fujii

    248th ACS National Meeting  2014年8月 

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    会議種別:口頭発表(招待・特別)  

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  • Conformational Reduction of Catecholamines Studied by Laser-Desorption Supersonic Jet Spectroscopy 招待

    Masaaki Fujii

    Conference on Isolated Biomolecules and Biomolecular Interactions 2014  2014年5月 

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    会議種別:口頭発表(招待・特別)  

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  • 多波長レーザー赤外分光法の開発と気相クラスター内ダイナミクスの直接観測 招待

    藤井 正明

    日本化学会第94春季年会  2014年3月 

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    会議種別:口頭発表(招待・特別)  

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  • イオン化で誘起される水の運動を観る−水和クラスターのピコ秒時間分解赤外分光 招待

    藤井 正明

    分子研・計算分子科学研究拠点(TCCI) 第3回実験化学との交流シンポジウム  2013年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Time-Resolved Vibrational Spectroscopy on Water Migration Dynamics in Molecular Clusters 招待

    藤井 正明

    Seventh International Conference on Advanced Vibrational Spectroscopy  2013年8月 

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    会議種別:口頭発表(招待・特別)  

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  • Water migration dynamics studied by picosecond time-resolved IR spectroscopy 招待

    藤井 正明

    The XVIth International Conference on Time-Resolved Vibrational Spectroscopy (TRVS 2013)  2013年5月 

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    会議種別:口頭発表(招待・特別)  

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  • Resonant enhanced multiphoton ionization and its application to Laser-SNMS 招待

    藤井 正明

    The Scientific International Symposium on SIMS and Related Techniques Based on Ion-Solid Interactions  2013年4月 

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    会議種別:口頭発表(招待・特別)  

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  • Water Migration Dynamics Studied by Picosecond Time-Resolved IR Spectroscopy 招待

    藤井 正明

    Workshop on Structure and Dynamics of Water in Gas, Liquid and Solid Phases  2012年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Watching Water Migration around a Peptide Bond - Picosecond Time Resolved IR Spectroscopy on Acetanilide-Water Clusters 招待

    藤井 正明

    Research Seminar in School of Chemistry  2012年10月 

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    会議種別:口頭発表(招待・特別)  

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  • 単一微粒子内部構造解析装置による越境汚染微粒子の起源・履歴解明の高精度化 招待

    藤井 正明

    日本分析化学会第61年会  2012年9月 

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    会議種別:口頭発表(招待・特別)  

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  • Conformational study on neurotransmitters by laser-desorption supersonic jet spectroscopy 招待

    藤井 正明

    Annual Meeting on Photochemistry 2012 (2012光化学討論会)  2012年9月 

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    会議種別:口頭発表(招待・特別)  

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  • レーザーイオン化SIMSによるディーゼル微粒子分析

    三澤健太郎, 坂本哲夫, 藤谷雄二, 藤井正明

    日本分析化学会年会講演要旨集  2012年9月 

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    開催年月日: 2012年9月    

    記述言語:日本語  

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  • B-5-98 多素子アンテナアレー用マルチビーム指向性制御方式(B-5. 無線通信システムB(無線アクセスネットワーク),一般セッション)

    藤井 正明

    電子情報通信学会ソサイエティ大会講演論文集  2012年8月  一般社団法人電子情報通信学会

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    開催年月日: 2012年8月    

    記述言語:日本語  

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  • Why a soft molecule work as a key - Conformational study on neurotransmitters by laser spectroscopy 招待

    藤井 正明

    s?minaire au laboratoire PIIM  2012年7月 

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    会議種別:口頭発表(招待・特別)  

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  • 単一微粒子測定装置による越境微粒子の内部構造解明 招待

    藤井 正明

    酸性雨問題研究会、第37回酸性雨問題研究会シンポジウム  2012年6月 

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    会議種別:口頭発表(招待・特別)  

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  • Ionization-induced dynamics in solvated clusters studied by picosecond time-resolved IR spectroscopy: Monitoring a migrating solvent 招待

    藤井 正明

    Seminar der Abteilung Molek?lphysik  2012年6月 

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    会議種別:口頭発表(招待・特別)  

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  • Toward Understanding of Molecular Recognition System in Neurotransmission ? Laser Desorption Spectroscopy on Catecholamines and Development of Super-Resolution IR Microscopy 招待

    藤井 正明

    Chemistry Department Seminar, Ajou University  2012年2月 

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    会議種別:口頭発表(招待・特別)  

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  • Toward Understanding of Molecular Recognition System in Neurotransmission ? Laser Desorption Spectroscopy on Catecholamines and Development of Super-Resolution IR Microscopy 招待

    藤井 正明

    Chemistry Department Seminar, Chungbuk National University  2012年2月 

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    会議種別:口頭発表(招待・特別)  

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  • Water migration dynamics in ionic clusters 招待

    藤井 正明

    Gordon Research Conferences: Molecular and Ionic Clusters 2012  2012年2月 

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    会議種別:口頭発表(招待・特別)  

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  • 3A0913 エアロゾル3粒径分離フィルターパックによる大気汚染物質の観測(II)(1空間-3地区・街区/5物質-4繊維状物質/2手法-4データ解析,一般研究発表)

    村野 健太郎, 高見 昭憲, 藤井 正明

    大気環境学会年会講演要旨集  2012年  大気環境学会

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    開催年月日: 2012年    

    記述言語:日本語  

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    その他リンク: http://search.jamas.or.jp/link/ui/2013114271

  • 2E0926 高分解能TOF-SIMSによる微小粒子の構造解析(1空間-5東アジア,一般研究発表)

    間山 憲仁, 三浦 祐哉, 吉野 彩子, 三澤 健太郎, 坂本 哲夫, 高見 昭憲, 畠山 史郎, 坂東 博, 村野 健太郎, 藤井 正明

    大気環境学会年会講演要旨集  2012年  大気環境学会

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    開催年月日: 2012年    

    記述言語:日本語  

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  • 2E1000 構造解析に基づいた微小粒子の生成、変質過程の推定(1空間-5東アジア,一般研究発表)

    高見 昭憲, 間山 憲仁, 坂本 哲夫, 大石 乾詞, 伊礼 聡, 三好 猛雄, 村野 健太郎, 畠山 史郎, 吉野 彩子, 坂東 博, 定永 靖宗, 三澤 健太郎, 藤井 正明

    大気環境学会年会講演要旨集  2012年  大気環境学会

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    開催年月日: 2012年    

    記述言語:日本語  

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  • 2E1013 NOy、ガス状汚染物質、後方流跡線から見た福江での観測概要(1空間-5東アジア,一般研究発表)

    坂東 博, 増井 嘉彦, 紫合 英樹, 定永 靖宗, 米村 正一郎, 畠山 史郎, 村野 健太郎, 高見 昭憲, 坂本 哲夫, 三澤 健太郎, 藤井 正明

    大気環境学会年会講演要旨集  2012年  大気環境学会

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    開催年月日: 2012年    

    記述言語:日本語  

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  • 2E0939 レーザーイオン化TOF-SIMSによる大気微粒子の構造解析(1空間-5東アジア,一般研究発表)

    三澤 健太郎, 間山 憲仁, 大石 乾詞, 坂本 哲夫, 高見 昭憲, 村野 健太郎, 吉野 彩子, 畠山 史郎, 坂東 博, 藤井 正明

    大気環境学会年会講演要旨集  2012年  大気環境学会

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    開催年月日: 2012年    

    記述言語:日本語  

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  • 神経伝達物質のレーザー蒸発気相分光−コンフォーメーションと分子認識 招待

    藤井 正明

    分子アンサンブル2011シンンポジウム  2011年11月 

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    会議種別:口頭発表(招待・特別)  

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  • 生体分子の気相分光法の開発と分子認識機構へのアプローチ 招待

    藤井 正明

    共同利用研究 分子研研究会「実験と理論による高次分子システムの機能発現の分子論的理解」  2011年11月 

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    会議種別:口頭発表(招待・特別)  

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  • Structural Flexibility of Catecholamines Studied by Laser Desorption Supersonic Jet Laser Spectroscopy 招待

    藤井 正明

    CLUPS Seminar  2011年10月 

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    会議種別:口頭発表(招待・特別)  

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  • 生体分子の気相分光法の開発と分子認識機構へのアプローチ 招待

    藤井 正明

    日本化学会第91春季年会  2011年3月 

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  • ZGP/PPLN/色素レーザーによる中赤外波長可変レーザーを用いた超音速分子線レーザー分光 招待

    藤井 正明

    第4回光材料・応用技術研究会  2011年3月 

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  • 高次分子システム研究のためのバーチャル研究所(高次分子システム研究所) 招待

    藤井 正明

    学協会連携分子研研究会「物理化学・生物化学の更なる発展のための提案と方策」  2011年3月 

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    会議種別:口頭発表(招待・特別)  

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  • レーザー蒸発気相分光による神経伝達物質のコンフォーメーションと分子認識 招待

    藤井 正明

    分子アンサンブル2010シンポジウム  2010年11月 

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  • ZGP/PPLN/色素レーザーによる中赤外波長可変レーザーを用いた超音速分子線レーザー分光 招待

    藤井 正明

    日本光学会年次学術講演会、Optics & Photonics Japan 2010  2010年11月 

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  • ZGP/PPLN/色素レーザーによる中赤外波長可変レーザーを用いた超音速分子線レーザー分光

    宮崎充彦, 斎川次郎, 石月秀貴, 平等拓範, 藤井正明

    Optics &amp; Photonics Japan講演予稿集  2010年11月 

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    開催年月日: 2010年11月    

    記述言語:日本語  

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  • Ionization induced dynamics of PhOH…Ar clusters 招待

    藤井 正明

    International Symposium "frontiers in Photon Science"  2010年10月 

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  • 過般型レーザーイオン化分析装置による自動車排出ガス中の有害有機物リアルタイム評価法の研究 招待

    藤井 正明

    JRTT基礎的研究成果発表会  2010年9月 

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  • Ionization-induced site-switching in phenol-Rg clusters 招待

    Masaaki Fujii

    Special Seminar, Institut f?r Optik und Atomare Physik, TU Berlin  2010年6月 

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  • Real-time observation of photo-induced conformational dynamics in benzene dimer by picosecond time-resolved pump-probe spectroscopy

    Masaaki Fujii

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY  2010年3月  AMER CHEMICAL SOC

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    開催年月日: 2010年3月    

    記述言語:英語  

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  • 収束イオンビーム/レーザーイオン化法による単一微粒子の履歴解析装置 招待

    藤井 正明

    先端計測分析技術・機器開発事業5周年記念シンポジウム  2009年12月 

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  • Gas Phase Spectroscopy of Neurotransmitters and their Relevant Molecules 招待

    藤井 正明

    The Second Asian Spectroscopy Conference  2009年12月 

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  • FIB‐TOF‐SIMS/SNMSによる石炭灰単一微粒子内元素分布の観察

    林俊一, 久保田直義, 石月秀貴, 平等拓範, 石垣直也, 東條公資, 井戸豊, 坂本哲夫, 藤井正明

    日本分析化学会年会講演要旨集  2009年9月 

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    開催年月日: 2009年9月    

    記述言語:日本語  

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  • Developments of 2-color IR super-resolution microscopes and their applications to cells 招待

    藤井 正明

    International symposium of Post-Silicon Materials and Devices Research Alliance Project  2009年9月 

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  • Real time observation of excited state hydrogen transfer reaction in phenol-(NH3)(n) (n=4, 5) clusters by ps time resolved infrared spectroscopy

    Mitsuhiko Miyazaki, Shun-ichi Ishiuchi, Makoto Sakai, Masaaki Fujii

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY  2009年8月  AMER CHEMICAL SOC

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    開催年月日: 2009年8月    

    記述言語:英語  

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  • レーザーイオン化による高感度リアルタイム分析 招待

    藤井 正明

    レーザー学会 第10回「マイクロ固体フォトニクス専門委員会」  2009年3月 

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  • ZnGeP2を用いた波長可変中赤外光源の開発と超音速ジェット赤外分光への応用

    宮崎充彦, 齊川次郎, 藤井正明, 石月秀貴, 平等拓範

    日本化学会講演予稿集  2009年3月 

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    開催年月日: 2009年3月    

    記述言語:日本語  

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  • Strategic prolems in photon science (Chair) 招待

    藤井 正明

    Discussion Foresight Workshop "International Collaborations in Photon Science"  2009年3月 

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  • 車の排ガスのその場高感度分析 招待

    藤井 正明

    第3回四大学連合文化講演会  2008年11月 

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  • 分子クラスターから細胞に至る分子認識系の光励起ダイナミクスと素過程解明 招待

    藤井 正明

    特定領域研究「高次系分子科学」第2回公開シンポジウム  2008年11月 

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  • 燃焼排ガス中有害微量物質の計測技術 招待

    藤井 正明

    第2回統合研究院「環境プロジェクト・ワークショップ」低リスク社会の実現に向けて  2008年10月 

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  • クラスター内反応の時間分解赤外分光 招待

    藤井 正明

    第2回分子科学討論会  2008年9月 

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  • Hydrogen-Bonded Networks (Overview) 招待

    藤井 正明

    Gordon Research Conferences: Molecular and Ionic Clusters 2008  2008年9月 

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  • Real-time observation of ionization induced site switching in phenol-rare gas clusters by picosecond time-resolved IR dip spectroscopy 招待

    藤井 正明

    The 236th ACS National Meeting  2008年8月 

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  • PHYS 49-Real-time observation of ionization induced site switching in phenol-rare gas clusters by picosecond time-resolved IR dip spectroscopy

    Masaaki Fujii

    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY  2008年8月  AMER CHEMICAL SOC

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    開催年月日: 2008年8月    

    記述言語:英語  

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  • レーザー多光子イオン化による高感度リアルタイム環境分析の最前線 招待

    藤井 正明

    2008年レーザー学会東京支部セミナー  2008年7月 

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  • リアルタイム環境分析法と単一微粒子の履歴解析装置 招待

    藤井 正明

    光産業技術振興協会マンスリーセミナー  2008年6月 

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  • 2波長レーザー分光法に基づく超解像光学顕微鏡の開発 招待

    藤井 正明

    京都工芸繊維大学機器分析センター市民講座・先端技術講座  2008年3月 

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  • オキシダント生成物質の高感度リアルタイム計測 招待

    藤井 正明

    第1回統合研究院「環境プロジェクト・ワークショップ」  2008年2月 

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  • Ionization induced isomerization dynamics in aromatic clusters 招待

    Masaaki Fujii

    Gordon Research Conference: Photoions, Photoionizaton & Photodetachment  2008年1月 

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  • State-selective dynamics of ecited state hydrogen transfer in phenol / ammonia clusters studied by picosecond time-resolved three-colour spectroscopy 招待

    Masaaki Fujii

    Photon Science Institute Seminar Series 2007/2008  2008年1月 

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  • レーザー多光子イオン化による環境分析の最前線 招待

    藤井 正明

    (財)光産業技術振興協会平成19年度「多元技術融合光プロセス研究会」第4回研究交流会  2008年1月 

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  • 1E1700-1 レーザー多光子イオン化による自動車排気未規制物質の分子選択リアルタイム分析(自動車から排出される未規制有害成分の計測方法と排出実態把握,5.自動車環境分科会,分科会)

    松本 淳, 三澤 健太郎, 石内 俊一, 藤井 正明, 林 俊一, 須崎 光太郎, 山田 裕之, 後藤 雄一

    大気環境学会年会講演要旨集  2008年  大気環境学会

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    開催年月日: 2008年    

    記述言語:日本語  

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  • 超解像レーザー分光法による極小空間ダイナミクス評価法の開発 招待

    藤井 正明

    ポストシリコン物質・デバイス創製基盤技術アライアンス成果報告会  2007年12月 

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  • Real-time Obscrvation of Excited State Hydrogen transfer in H-bonded Clusters by UV-IR-UV Picoscond Time-resolved IR Spectroscopy 招待

    Masaaki Fujii

    Molecular Science and Chemical Biology of Biomolecular Function  2007年11月 

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  • Super-resolution Infrared Microscopy based on Two-color Double-resonant Spectroscopy 招待

    Masaaki Fujii

    The 20th International Conference on Raman Spectroscopy (ICORS 2006)  2006年8月 

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  • Vibrational Relaxation of 7-Azaindole Dimer in Gas and Solution Studied by Picosecond Time-Resolved IR-UV Double Resonance Spectroscopy 招待

    Masaaki Fujii

    International Workshop on Time-Resolved Spectroscopy (IWTS-2006)  2006年8月 

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  • Two-Color Picosecond Time-resolved Infrared Super-resolution Microscopy and its Application to Cell 招待

    Masaaki Fujii

    KAKENHI International Symposium on “Molecular Nano Dynamics”  2006年6月 

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  • Picosecond time-resolved IR spectroscopy on intracluster reactions 招待

    Masaaki Fujii

    Sendai International Symosium on Molecular Cluster Spectroscopy  2006年5月 

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  • Real-time observation of ionization induced site switching in aromatic clusters 招待

    Masaaki Fujii

    Gordon Research Conference, Molecular & Ionic Clusters  2006年2月 

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  • Excited state hydrogen transfer in phenol/ammonia clusters studied by nanosecond hole burning and picosecond pump-probe spectroscopy by Proton Trnsfer/Transport of H-Bonded Solids, Liquids, Clusters and Interfaces (#40) [1A] 招待

    Masaaki Fujii

    The 2005 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2005)  2005年12月 

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  • Infrared dip spectroscopy of phenol-argon(1:2)cluster cation: lionization induced site switching and its dynamics by Frontiers in Structural and Functional Studies of Atomic and Molecular Clusters and Nano-particles (#110) [3A] 招待

    Masaaki Fujii

    The 2005 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2005)  2005年12月 

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  • Overtone spectroscopy as a probe to distinguish rotational isomers by Vibrational Overtones: Spectroscopy, Dynamics and Environmental 招待

    Masaaki Fujii

    The 2005 International Chemical Congress of Pacific Basin Societies (PACIFICHEM 2005)  2005年12月 

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  • Vibrational relaxation of 7-azaindole dimer studied by picosecond time-resolved transient fluorescence detected IR spectroscopy 招待

    Masaaki Fujii

    ICONO/LAT 2005 Conference  2005年5月 

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  • 超音速分子ジェット多光子吸収イオン化質量分析装置を基本とした高温炉内微量ガスリアルタイムモニタリング分析装置の開発 : 高感度 Daly 検出器の試作

    林 俊一, 鈴木 哲也, 石内 俊一, 藤井 正明

    材料とプロセス : 日本鉄鋼協会講演論文集 = Current advances in materials and processes : report of the ISIJ meeting  2005年3月 

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    開催年月日: 2005年3月    

    記述言語:日本語  

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  • Picosecond Time-resolved Infrared Spectra of Photochemically Reactive Clusters 招待

    Masaaki Fujii

    International Symposium on Bio-conjugated Materials and Molecular Devices  2004年12月 

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  • IR Dip Spectroscopy of the Phenol -Ar2 Cluster Cation: When does Ar Move 招待

    Masaaki Fujii

    Gordon Research Conference on Molecular and Ionic Clusters  2004年9月 

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  • 超音速分子ジェット多光子吸収イオン化質量分析装置を基本とした高温炉内微量ガスリアルタイムモニタリング分析装置の開発

    林 俊一, 鈴木 哲也, 草野 英昭, 石内 俊一, 酒井 誠, 藤井 正明

    材料とプロセス : 日本鉄鋼協会講演論文集 = Current advances in materials and processes : report of the ISIJ meeting  2004年9月 

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    開催年月日: 2004年9月    

    記述言語:日本語  

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  • Pico-second Time-Resolved IR spectroscopy of Solvated Clusters in Gas and Solution 招待

    Masaaki Fujii

    Seminaire du Laboratoire, Laboratoire de Photophysiqne Moleculaire  2004年3月 

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  • 4-color Hole Burning Spectroscopy of Phenol/Ammonia Clusters 招待

    Masaaki Fujii

    Seminaire du Laboratoire, Laboratoire de Photophysiqne Moleculaire  2004年3月 

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  • Picosecond time-resolved IR spectroscopy on 7-azaindole dimer-Bridge from cluster to solution 招待

    Masaaki Fujii

    International Symposium on Functional Clusters and Cluster-Based Nano-Materials  2003年12月 

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  • Picosecond time-resolved IR spectroscopy of solvated cluster in gas and solution 招待

    Masaaki Fujii

    Japan-Korea Joint Seminar on Frontiers of Advanced Molecular Science: Spectroscopy of Ultra-Resolution in Time, Space and Energy  2003年11月 

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  • Hydrogen Atom Transfer in Molecular System 招待

    Masaaki Fujii

    New Frontiers in Chemical Dynamics and Femtochemistry ? An international symposium to mark the opening of the York Centre for Laser Spectroscopy and Photochemistry (YCLS)  2003年10月 

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  • Picosecond time-resolved infrared spectra of photochemically reactive clusters 招待

    Masaaki Fujii

    XXIst International Conference on Photochemistry  2003年7月 

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  • 超音速分子ジェット多光子吸収イオン化質量分析装置を基本とした高温炉内微量ガス分析技術の開発

    林 俊一, 鈴木 哲也, 佐伯 盛久, 石内 俊一, 酒井 誠, 藤井 正明

    材料とプロセス : 日本鉄鋼協会講演論文集 = Current advances in materials and processes : report of the ISIJ meeting  2003年3月 

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    開催年月日: 2003年3月    

    記述言語:日本語  

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  • Ion Detected Molecular Vibration and its Dynamics 招待

    Masaaki Fujii

    Department and Laser and Applications Research Theme Seminar  2002年11月 

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  • Pico-second Time-Resolved IR Spectroscopy on Photochemically Reactive Clusters 招待

    Masaaki Fujii

    Laser and Applications Research Theme Meeting  2002年11月 

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  • Pico-second Time-Resolved IR Spectroscopy on Photochemically Reactive Clusters 招待

    Masaaki Fujii

    Kobe International Symposium 2002: Molecular Structure and Dynamics  2002年10月 

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  • Pico-second Time-Resolved IR Spectroscopy on Photochemically Reactive Clusters 招待

    Masaaki Fujii

    IMS Research Symposium “Current Status and Prospects of Dynamics of Photon, Electron and Heavy-Particle Collisions”  2002年7月 

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  • Pico-second Time-Resolved IR Spectroscopy on photochemically Reactive Clusters 招待

    Masaaki Fujii

    Gordon Research Conference on Molecular Ionic Cluster  2002年1月 

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  • Hydrogen transfer in photo-excited phenol / ammonia clusters by UV-IR-UV ion dip spectroscopy and ab initio MO calculations II : Vibrational Transitions

    J. Chem. Phys.  2002年 

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  • Hydrogen transfer in photo-excited phenol / ammonia clusters by UV-IR-UV ion dip spectroscopy and ab initio MO calculations I : Electronic Transitions

    J. Chem. Phys.  2002年 

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  • Spectroscopic study of a mixed cluster of 1-naphthol dimer and ammonia ? Promotion of dimer formation supported by ammonia 招待

    Masaaki Fujii

    COE Satellite Meeting on Solvated Cluster  2001年10月 

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  • Excited state hydrogen transfer in phenol / ammonia clusters studied by picosecond time-resolved IR dip spectroscopy 招待

    Masaaki Fujii

    COE Satellite Meeting on Solvated Cluster  2001年10月 

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  • Structure & Dynamics of Phenol / Naphthol Aqueous Cluster Studied by Laser Spectroscopy 招待

    Masaaki Fujii

    Okazaki COE Conference on Reaction in Aqueous Media  2001年10月 

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  • Structure and Solvation of Doubly Hydrogen-Bonded Molecular Pair Studied by IR Dip Spectroscopy 招待

    Masaaki Fujii

    International Symposium of the Volkswagenstiftung on Isolated Molecules of Biological Interest  2001年6月 

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  • Hydrogen Transfer Reaction in a Phenol / Ammonia Cluster Studiedby UV-IR?UV Dip Spectroscopy 招待

    Masaaki Fujii

    10th International Conference on Time-Resolved Vibrational Spectroscopy  2001年3月 

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  • PFIーZEKE Spectroscopy of Meta?substituted Phenol Derivatives Aqueous Cluster ? rotational isomer and large amplitude motions in cluster cation 招待

    Masaaki Fujii

    IMS Mini-Sympoium “Photoionization”  2001年3月 

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  • Structure of 1-Naphthol-Water Clusters Studied by IR Dip Spectroscopy and Ab Initio Molecular Orbital Calculation

    J. Phys. Chem. A,  1998年 

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  • IR-UV二重共鳴分光法によるフルオロフェノールの回転異性体の研究-水和クラスターの倍音分光

    蔀洋司, 石内俊一, 藤井正明

    分子構造総合討論会講演要旨集  1996年 

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    開催年月日: 1996年    

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  • イオン化検出赤外分光法による孤立フェノールの高振動状態の研究

    石内俊一, 蔀洋司, 高沢健, 藤井正明

    化学反応討論会講演要旨集  1996年 

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    開催年月日: 1996年    

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  • フェノール水和クラスターのIR-UV二重共鳴スペクトル-OH伸縮倍音の観測

    石内俊一, 蔀洋司, 藤井正明, 岩崎純史, 江幡孝之, 三上直彦

    分子構造総合討論会講演要旨集  1996年 

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    開催年月日: 1996年    

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▼全件表示

受賞

  • フンボルト賞

    2019年6月   アレクサンダー・フォン・フンボルト財団   分子クラスターのピコ秒時間分解振動分光並びに気相分光の生体分子システムへの応用

    藤井 正明

  • 第9回(2018年度)分子科学会学会賞

    2018年9月   分子科学会   気相多波長レーザー分光法の開発と複雑分子系への応用

    藤井 正明

  • 日本分光学会賞

    2015年6月   日本分光学会   先端的多色レーザー分光法の開発とその応用

    藤井 正明

  • 日本化学会第31回学術賞

    2013年11月   日本化学会   多波長レーザー赤外分光法の開発と気相クラスター内ダイナミクスの直接観測

    藤井 正明

  • 大気環境学会論文賞学術部門

    2011年9月   大気環境学会   レーザー多光子イオン化法を用いたモード走行中自動車排気ガスに関する個別成分のリアルタイム分析とOHラジカル反応性の評価、大気環境学会誌、45(5), 205-211 (2010)

    松本 淳, 三澤 健太郎, 石内 俊一, 藤井 正明, 林 俊一, 田中 光太郎, 山田 裕之, 後藤 雄一

  • 第40回市村学術賞貢献賞

    2008年4月  

  • 手島記念研究論文賞

    2007年2月  

  • 分子科学奨励森野基金

    1996年  

  • Morino Foundation for Molecular Science

    1996年  

  • 山下太郎学術奨励賞

    1992年  

  • 日本化学会第41回進歩賞

    1992年  

  • Award by Yamashita Memorial Foundation for Science and Engineering

    1992年  

  • Award for the Young Chemist, Chemical Society of Japan

    1992年  

▼全件表示

共同研究・競争的資金等の研究課題

  • ESI冷却イオントラップ分光法によるアドレナリン受容体の分子認識機構の解明

    研究課題/領域番号:20H00372  2020年4月 - 2024年3月

    日本学術振興会  科学研究費助成事業 基盤研究(A)  基盤研究(A)  東京工業大学

    藤井 正明

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    配分額:44720000円 ( 直接経費:34400000円 、 間接経費:10320000円 )

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  • 冷却イオントラップ分光による天然変性タンパク質複合体へのボトムアップアプローチ

    研究課題/領域番号:20K20446  2020年4月 - 2023年3月

    日本学術振興会  科学研究費助成事業  挑戦的研究(開拓)  東京工業大学

    藤井 正明, 石内 俊一, 平田 圭祐, 宮崎 充彦

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    配分額:26000000円 ( 直接経費:20000000円 、 間接経費:6000000円 )

    1)YEMPS-ドーパおよびノルアドレナリン複合体のの冷却イオントラップ赤外分光
    天然変性タンパク質であるα-シヌクレインのドーパミン結合部位にはドーパミン誘導体であるドーパやノルアドレナリンも結合することが分かっている。そこで,YEMPS配列の部分ペプチドAc-YEMPS-NHMe(以降YEMPS)とプロトン付加ドーパおよびプロトン付加ノルアドレナリンの複合体をエレクトロスプレーで気相中に取り出し,冷却イオントラップ中の極低温下で赤外スペクトルを測定した。ドーパミン複合体の場合と同様に,プロトン化アミノ基がYEMPSと優先的に結合するのを阻害するために,18C6クラウンエーテルでプロトン化アミノ基を包接保護した。その結果,これら2つの複合体でも,YEMPSとカテコールOH基が結合した構造を形成させることができた。YEMPSの2 次構造を明らかにするために,ペプチド結合のC=O伸縮振動(amide-I)を測定したところ,1650 cm-1にバンドが観測され,α-ヘリックス構造が形成されていることが確認された。従って,ドーパミンと同様に,ドーパやノルアドレナリンも複合体形成によりYEMPSにヘリックス構造を誘起することが分かった。
    <BR>
    2)異性体分離したスペクトル測定法の検討
    クラウンエーテルを付加した複合体ではUVスペクトルの測定が困難なため,UVスペクトルを用いた異性体分離ができない。そこで,IRスペクトルのみを用いて異性体分離したスペクトルを測定する方法であるIR-IR dip分光法を用いる必要があるが,これを実現するためには,1本目のIR照射と2本目のIR照射の間で質量分析する必要があり,現有装置では困難である。そのため,冷却イオントラップの後の線形飛行時間方質量分析器を2段の質量分析器に改造する必要があり,最適な方法をイオン軌道シミュレーションを用いて確立した。

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  • 冷却イオントラップ分光による天然変性タンパク質複合体へのボトムアップアプローチ

    研究課題/領域番号:19H05527  2019年6月 - 2022年3月

    日本学術振興会  科学研究費助成事業 挑戦的研究(開拓)  挑戦的研究(開拓)  東京工業大学

    藤井 正明, 宮崎 充彦, 石内 俊一

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    配分額:26000000円 ( 直接経費:20000000円 、 間接経費:6000000円 )

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  • 理論と実験の協奏による柔らかな分子系の機能の科学

    研究課題/領域番号:18H05201  2018年4月 - 2019年3月

    日本学術振興会  科学研究費助成事業 新学術領域研究(研究領域提案型)  新学術領域研究(研究領域提案型)  国立研究開発法人理化学研究所

    田原 太平, 藤井 正明, 北尾 彰朗, 水谷 泰久, 神取 秀樹

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    配分額:3900000円 ( 直接経費:3000000円 、 間接経費:900000円 )

    研究成果の取りまとめを以下に3つを骨子として行った。
    1. 成果公開シンポジウムの開催:5年間の成果を取りまとめ、それを広く発信するために、2018年6月6日-7日の2日間に渡り、埼玉県和光市の理化学研究所和光キャンパス鈴木梅太郎ホールで成果公開シンポジウムを開催した。全ての研究成果を概観できるポスターセッションでの発表を全班員が行うとともに、計画班員および特に顕著な研究活動を行った公募班員が口頭発表を行った。これらをもとに今後の展開のための議論を行うとともに、本領域で構築された研究ネットワークを強化することができた。
    2. 研究成果に関する最終報告書の作成と配布:5年間の研究成果を取りまとめた領域の最終報告書を製作した。その準備のために、田原、北尾、水谷、神取、藤井が数回一同に集まって議論と作業を行った。完成した最終報告書と関連資料をCD化して各方面に配布し、成果の公開を行った。
    3. ホームページを利用した研究成果の発信:本領域では5年にわたり、研究論文、新聞発表、受賞、国際会議運営、若手研究者の海外派遣などを記事としたニュースレターを毎月1号発行し、配信してきた。2018年9月に全体のまとめのニュースレターの最終号を発行し、あわせてこれをホームページに掲載することで成果の発信を行なった。ホームページは国際発信の最も効率的な重要な手段であるので、成果取りまとめに合わせてこれを更新した。
    これら研究成果の取りまとめは、新学術領域「柔らかな分子系」の推進を総括班として担った田原(領域代表;本取りまとめ研究の研究代表者)、北尾、水谷、神取、藤井(班長および事務局;同研究分担者)が中心となり、「柔らかな分子系」の計画班員の補佐を受けて実行した。また、柔らかな分子系の公募班員全員にも参画してもらった。研究取りまとめの事務作業は「柔らかな分子系」の事務局を引き続き維持してそこで進めた。

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  • 電子・核運動共役測定による水素・プロトン移動反応中の電子デカップリング効果の解明

    研究課題/領域番号:15H02157  2015年4月 - 2019年3月

    日本学術振興会  科学研究費助成事業 基盤研究(A)  基盤研究(A)  東京工業大学

    藤井 正明, 宮崎 充彦

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    配分額:44850000円 ( 直接経費:34500000円 、 間接経費:10350000円 )

    気相溶媒和クラスターのフェムト秒時間分解紫外‐近赤外‐紫外分光装置を開発し、フェノール‐(アンモニア)5クラスターにおける励起状態水素移動反応メカニズムの研究を行った。
    反応ダイナミクスは、350 fs程度の電子移動と20 ps程度のプロトン移動反応と100倍以上の速度差がある二つの過程に分かれることがわかった。水素原子の移動反応であるにもかかわらず、電子と水素原子核の移動は全く異なる時間スケールで進行するデカップリングがあることを明らかにした。
    そのメカニズムには電荷分離状態が関与しており、溶媒和の程度によりデカップリングの程度に大きな変化が生じることを明らかにした。

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  • アミノ酸イオンクラスターにおけるキラル分子認識の研究

    研究課題/領域番号:16F16035  2016年7月 - 2018年3月

    日本学術振興会  科学研究費助成事業 特別研究員奨励費  特別研究員奨励費  東京工業大学

    藤井 正明, BOUCHET AUDE

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    配分額:2300000円 ( 直接経費:2300000円 )

    特定の分子を認識して結合する分子認識は超分子や生体分子が機能を発揮する上で極めて重要な役割を果たしており、その分子レベルでのメカニズムの理解は化学、生化学、ナノテクノロジーなど広い領域に対する基礎を与える。特に生体分子の場合、右手系と左手系が重ねあわせられない光学異性(キラリティー)は分子認識に強い影響を及ぼしている。このようなキラリティーに由来する分子認識機構を明らかにするため、キラル分子の分子クラスターに対して赤外分光法など分光学的な手段を適用して構造を決定し、分子認識メカニズムを分子論的に解明した。特に本研究ではエレクトロスプレーレーザー赤外分光装置を用いて電荷を帯びたキラル分子クラスターを生成し、その構造を中性状態と比較してキラル分子認識に対する電荷効果および溶媒効果を明らかにした。
    具体的には中性状態の分光データーがすでに測定されているアミノインダノン分子をエレクトロスプレー冷却イオントラップレーザー分光装置に導入してホモキラル・ヘテロキラルダイマーの赤外解離スペクトルを測定し、キラル分子認識に対するプロトン付加効果を明らかにし、中性ダイマーを解析したパリ第11大学A. Zehnacker-Retien教授 と共著論文を出版した。さらにグルタミン酸分子とアルカリ金属のダイマーの構造を赤外分光により解析し、ベルリン工科大・O. Dopfer教授のグループと共著論文を出版した。Bouchet博士の仏国Lille大准教授採用に伴い期間を短縮したが、任期中に成果を合計3報の論文として国際学術誌に発表しており、十分な成果をあげたと考えられる。

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  • 理論と実験の協奏による柔らかな分子系の機能の科学の国際活動支援

    研究課題/領域番号:15K21740  2015年11月 - 2018年3月

    日本学術振興会  科学研究費助成事業 新学術領域研究(研究領域提案型)  新学術領域研究(研究領域提案型)  国立研究開発法人理化学研究所

    田原 太平, 神取 秀樹, 水谷 泰久, 北尾 彰朗, 藤井 正明, 森田 明弘, 林 重彦, 高橋 聡, 村橋 哲郎, 中西 尚志

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    配分額:20800000円 ( 直接経費:16000000円 、 間接経費:4800000円 )

    「柔らかな分子系」では次世代の研究を支える若手の人材育成のため国際活動支援班を組織し、①若手海外派遣プログラム、②共同研究のための研究者派遣および外国人研究者の招へいを行った。①については総括班予算によりすでに平成25年度から行ってきたが、本予算により20名の若手を国際会議に派遣した。派遣に際しては研究室訪問など積極的な研究交流を強く推奨したが、その成果は報告を義務付けた領域ニュースレターでの若手の活き活きとした姿からうかがい知ることができる。②については6件の派遣と7件の招へいを行い、その結果としてNat. Commun., PNASなどに6報の国際共同研究論文を発表することができた。

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  • 理論と実験の協奏による柔らかな分子系の機能の科学

    研究課題/領域番号:25104001  2013年6月 - 2018年3月

    日本学術振興会  科学研究費助成事業 新学術領域研究(研究領域提案型)  新学術領域研究(研究領域提案型)  国立研究開発法人理化学研究所

    田原 太平, 藤井 正明, 北尾 彰朗, 水谷 泰久, 神取 秀樹

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    配分額:115440000円 ( 直接経費:88800000円 、 間接経費:26640000円 )

    「柔らかな分子系」では計1066報の論文発表に代表される大変高い研究成果があがった。この内56報は共同研究の成果であり、様々な企画を通じて行った努力によって理論、計測、創成を融合した研究が実現できた。国際学会で班員による13の基調講演を含む456もの招待講演が行われ、英国王立化学会の学術雑誌、Phys. Chem. Chem. Phys.に複雑分子系研究に関する特集号を発刊し、強力な国際発信ができた。若手研究者の育成を行い、大学の教授、准教授、助教を始めとした職に73名がついた。これらによって複雑系の分子科学の新しい学術領域と分野横断的研究ネットワークを予想を超えた高いレベルで創造できた。

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  • 気相分光による水素結合系の構造多様性と水和ダイナミクスの解明

    研究課題/領域番号:25104008  2013年6月 - 2018年3月

    日本学術振興会  科学研究費助成事業 新学術領域研究(研究領域提案型)  新学術領域研究(研究領域提案型)  東京工業大学

    藤井 正明, 宮崎 充彦, 石内 俊一, 石川 春樹

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    配分額:89180000円 ( 直接経費:68600000円 、 間接経費:20580000円 )

    エレクトロスプレー・冷却イオントラップ分光装置を開発し、分子認識に関わるタンパク質の部分配列と種々のリガンドとの相互作用を分子レベルで明らかにした。また、それら柔らかい分子の構造に対する水和効果を、水分子の個数や配向を厳密に規定できる水和クラスターを用いて、分子レベルで解明した。さらに、生体分子のアルカリ金属イオン錯体のコンフォメーションを異性体選別赤外分光により解明し、種々のアルカリ金属イオンに対して特異的なコンフォメーションを取ること明らかにした。以上の成果を通じて、生体分子の相互作用中心のみを切り出した系に対する精密な分光研究、すなわち、ボトムアップ・アプローチの有用性が示された。

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  • 分子高次系機能解明のための分子科学―先端計測法の開拓による素過程的理解

    研究課題/領域番号:19056014  2007年 - 2012年

    日本学術振興会  科学研究費助成事業 特定領域研究  特定領域研究  東京工業大学

    藤井 正明, 関谷 博, 田原 太平, 水谷 泰久

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    配分額:56400000円 ( 直接経費:56400000円 )

    平成23年度までの5年間で得られた特定領域研究「分子高次系機能解明のための分子科学-先端計測法の開拓による素過程的理解-」(領域番号477)の研究成果を取りまとめ、新たな研究領域「高次系分子科学」としてのアピールを行うために公開シンポジウムを5月25、26日の2日間、東京工業大学すずかけ台キャンパスにおいて開催した。全ての研究を概観できる様にまとめのポスターセッションを班員にお願いすると共に、本領域研究5年間の中で特に顕著な成果を上げた研究を選んで口頭発表を行った。各研究者には本公開シンポジウム参加の為の旅費が無いため、国内評価委員や遠方からの一般参加者と共に必要に応じて旅費を支援した。その甲斐もあり、100名を大きく上回る参加者を数え、白熱した討論も行うことができ盛況のうちに公開シンポジウムを終えた。なお、公開シンポジウムの運営には、受付、会場設営などにアルバイトを雇用して対応した。
    さらに、公開シンポジウム開催と合わせて本特定領域研究5年間の成果を取りまとめた全体の終了報告書を日本語と英語で作成し、公開シンポジウム参加者並びに関係する各方面に配布して研究成果の公開を進めた。従来より、研究論文、新聞発表、受賞、国際会議運営などに関しではニュースレターに記事として掲載し、毎月1号のペースでメールマガジンとして配信してきた経緯があり、平成24年度も引き続き、取りまとめられた研究成果をメールマガジンとして配信した。また、ホームページにも従来通りニュースレターを掲載した。ホームページは国際発信の重要な手段でもあるため、成果取りまとめに合わせて更新し、成果集の英文内容を反映させた。

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  • 表面ナノ加工基板を用いた表面支援レーザー脱離イオン化質量分析システム

    研究課題/領域番号:21310072  2009年 - 2011年

    日本学術振興会  科学研究費助成事業 基盤研究(B)  基盤研究(B)  北海道大学

    米澤 徹, 藤井 正明, 石内 俊一, 荒川 隆一, 川崎 英也

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    配分額:18460000円 ( 直接経費:14200000円 、 間接経費:4260000円 )

    低分子の解析に最適なナノ基板を用いる表面支援LDI(SALDI)システムの開拓を行った。合金からのDealloy法によって、電気化学的エッチングによりナノポーラス白金基板の作製を行い、成功した。また、合金組成の違いによって、ナノポーラス構造が大きく変化していることを見出した。この基板をSALDIに用いたが、有機化合物の脱離・イオン化は熱拡散により困難であった。それに対し、半導体微粒子の集積法によるLDI用試料基板形成を行い、LDI質量分析に用いたところ、効率よく化合物が脱離・イオン化されることが明確となった。

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  • 分子クラスターから細胞に至る分子認識系の光励起ダイナミクスと素過程解明

    研究課題/領域番号:19056002  2007年 - 2011年

    日本学術振興会  科学研究費助成事業 特定領域研究  特定領域研究  東京工業大学

    藤井 正明, 酒井 誠, 石内 俊一, 橋本 健朗, 三澤 健太郎, 宮〓 充彦

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    配分額:83300000円 ( 直接経費:83300000円 )

    レーザー蒸発法の改良を進め、金ナノ粒子やカーボンブラックが生体試料の有効な脱離補助物質である事を見出した。これを用いて神経伝達関連物質の紫外及び赤外スペクトルを系統的に測定し、その構造を決定した。アセトアニリド-水クラスターの光イオン化による水分子の再配向ダイナミクスをピコ秒時間分解赤外分光により、初めて分子論的に捉えることに成功した。振動和周波分光法と顕微鏡を融合させ、回折限界を14倍超える赤外超解像顕微鏡の開発に成功し、細胞への適用を行なった。

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  • 分子高次系機能解明のための分子科学―先端計測法の開拓による素過程的理解

    研究課題/領域番号:477  2007年 - 2011年

    日本学術振興会  科学研究費助成事業 特定領域研究  特定領域研究  東京工業大学

    藤井 正明

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  • 収束イオンビ-ム/レーザーイオン化法による単一微粒子の履歴解析装置

    2004年10月 - 2010年3月

    科学技術振興機構  先端計測分析技術・機器開発プログラム 

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  • 2波長ピコ秒赤外超解像顕微鏡の開発と単一細胞への応用

    研究課題/領域番号:16072207  2004年 - 2006年

    日本学術振興会  科学研究費助成事業 特定領域研究  特定領域研究  東京工業大学

    藤井 正明, 酒井 誠, 池滝 慶記

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    配分額:37300000円 ( 直接経費:37300000円 )

    新規な赤外顕微分光法を開発に成功した。これは、従来振動緩和の研究手段として用いられていた過渡蛍光検出赤外分光法をレーザー顕微鏡に応用したものである。第1の赤外レーザー光によって特定の振動に赤外励起した分子のみを第2の可視レーザー光により選択的に電子励起することで生じるS1からの蛍光(過渡蛍光)を検出する。この時、過渡蛍光は赤外光と可視光の重なり部分でのみ発生する。赤外光および可視光はそれぞれの波長に依存する回折限界以下に集光できないが、重なり部分の過渡蛍光発生領域は原理上、可視光の回折限界まで収縮可能である。即ち、赤外の振動情報を可視光の回折限界に依存する空間分解能で取り出す赤外超解像顕微分光が実現可能である。
    ローダミン6G溶液を用いて赤外超解像顕微分光の原理検証実験を行い、溶液において赤外の回折限界を遥かに凌駕した赤外超解像の観測に成功した。さらに、赤外超解像顕微鏡法が微小試料や細胞に適用可能かどうかも検証した。まず、微小試料として蛍光ビーズを取り上げ赤外超解像法を適用した結果、明瞭な過渡蛍光の観測に成功した。過渡蛍光像から空間分解能を見積もったところ、1-colorの蛍光像と赤外超解像がほぼ同じ空間分解能(6.8μm)で観測されていることが分かった。これは、赤外超解像の空間分解能が可視光で決まり、赤外の影響はほとんどないことを意味している。また、実験時における赤外の回折限界(16.6μm)で蛍光強度をシミュレーションした結果より、実測値は遙かに高分解能である。即ち、赤外の回折限界を突破した赤外超解像である。さらに、時間分解測定、波長依存測定、赤外波長の長波長化といった赤外超解像顕微鏡法の性能評価を行うと共に、この手法をシロイヌナズナの根毛細胞に適用し、細胞への応用の有効性も実証することに成功した。

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  • 2波長レーザー振動分光法と量子化学計算による反応活性クラスターの研究

    研究課題/領域番号:11304043  1999年 - 2001年

    日本学術振興会  科学研究費助成事業 基盤研究(A)  基盤研究(A)  岡崎国立共同研究機構

    藤井 正明, 酒井 誠, 橋本 健朗

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    配分額:39300000円 ( 直接経費:38100000円 、 間接経費:1200000円 )

    反応活性な多量体クラスターを分光可能な偉内部温度で生成できるリフレクトロン飛行時間型質量分析器付き分子線分光用真空槽を設計製作した。生成した反応活性なクラスターの基底状態および励起状態/反応生成物の振動スペクトルを新規開発した種々の赤外-紫外多重共鳴分光法により測定し、量子化学計算との比較より構造決定して、サイズ依存性等について論じた。最も顕著な例は、新規開発した紫外-赤外-紫外3重共鳴法によりフェノール/(アンモニア)2〜5クラスターについて光励起で生成した反応生成物の赤外スペクトルの測定に初めて成功したことである。この赤外スペクトルによりプロトン移動に加えて水素原子移動反応(OH基の中性ラジカル開裂)という新規反応チャンネルの存在の実証に成功した。さらに生成物の近赤外スペクトルを同様の手法で測定し、測定したスペクトルと水素原子付加アンモニアクラスターの電子遷移が一致する事からも水素原子移動を証明、酸塩基対での中性ラジカル開裂反応の存在を確固たる物とした。理論計算(ab initio MO)による種々の安定構造に対する比較から開裂機構にはクラスター初期構造の影響が残るというメモリー効果を見出し、開裂機構と電子状態との関係を検討した。さらに、波長可変ピコ秒レーザーを用いる時間分解赤外ピコ秒スペクトルの測定を同クラスターに対して適用し、反応生成物の赤外スペクトルの超高速時間変化を観測した。これは気相クラスターのピコ秒時間分解赤外分光の世界初の成功例である。この結果からより詳細な反応機構について、異性体の存在を含めて論じた。
    上記の系に加えて、種々のナフトール溶媒和クラスター、カルバゾール溶媒和クラスター、7-アザインドール2量体とその溶媒和クラスター等に対しても赤外-紫外2重共鳴分光法による赤外スペクトル測定に成功し、理論計算との比較から構造と光化学の関係やクラスター生成への影響を明らかにした。

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  • 固体色素中における色素凝集体の分光特性を利用した高機能レーザー

    研究課題/領域番号:11555010  1999年 - 2001年

    日本学術振興会  科学研究費助成事業 基盤研究(B)  基盤研究(B)  千葉大学

    尾松 孝茂, 池滝 慶記, 藤井 正明, 立田 光廣

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    配分額:11400000円 ( 直接経費:11400000円 )

    本研究の目的は、複数の有機色素を共分散させたポリマー(固体色素)が示す不均一な蛍光スペクトルに注目し、可視域で多波長が同時発振、かつ、それぞれの波長が独立に掃引できる固体色素レーザー設計の指針を明らかにすることである。
    初年度(平成11年度)は、比較的大きな誘導放出断面積を示すローダミン6G色素を分散させたPMMA固体色素を作製し、そのレーザー利得特性を測定した。その結果、シングルパス利得が70倍を超える性能の高い固体色素を作製することに成功した。この固体色素の高いレーザー利得から誘起される大きな飽和利得効果を用いて、縮退四光波混合による位相共役波発生を行った。その時の位相共役波反射率は入射光エネルギーの200倍を超える高い値が得られた。
    次年度(平成12年度)は、固体色素へ入射する光に対するレーザー利得の偏向特性を詳細に解析し、飽和利得効果による偏光ホログラムが記録可能であることを明らかにした。
    最終年度(平成13年度)は、分散させる色素をローダミン6GからDCM, Nile-Blueに変えて固体色素を製作した。DCMの発光スペクトルとNile-Blue色素の吸収スペクトルが重なっていることから、励起状態DCMから基底状態Nile-Blueへ効率の良いエネルギー移譲が起こり、600nm、670nmの二波長同時レーザー発振を確認した。それぞれ、励起光から見た変換効率2.4%、1.6%であった。また、飽和利得効果の時問応答性を調べるため、ピコ秒レーザーを用いて前進縮退四光波混合を行い、自己回折光の発生を確認した。利得飽和が起こる時間は3ps以内、また、回折効率は5%であった。
    これらの成果を踏まえ、今後、高効率化、発振波長範囲の拡大を行う。また、高励起時にポリマーに現れる熱レンズ効果の解消のため、飽和利得効果による位相共役器固体色素レーザーの開発も重要な課題である。

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  • イオン化検出法による高感度赤外分光法の開発と分子・クラスターの高振動状態の研究

    研究課題/領域番号:09440206  1997年 - 1998年

    日本学術振興会  科学研究費助成事業 基盤研究(B)  基盤研究(B)  岡崎国立共同研究機構

    藤井 正明

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    配分額:14600000円 ( 直接経費:14600000円 )

    イオン化を利用した高感度赤外分光法を独自に開発した。このイオン化検出赤外分光法は赤外-紫外二重共鳴分光法の一種であり、赤外レーザーで生じる振動励起分子だけを紫外レーザーで選択的に非共鳴イオン化することで赤外吸収を測定した。選択的イオン化は、振動励起分子のイオン化に要するエネルギーが通常の分子に比べて大幅に低下する事を利用し、紫外レーザーの波長を適切に選択して実現した。この方法を赤外吸収がよく研究されておりイオン化効率の高いフェノール、ナフトール、アミン分子に適用し、試料濃度が極めて希薄な超音速ジェット中で赤外吸収を測定することに成功した。特にフェノールに関しては4倍音までの高次倍音の測定に超音速ジェット中で初めて成功し、この分光法が従来の赤外分光法に比べて極めて高感度であることを実証した。さらに高振動状態になるほど線巾が減少することを見出し、回転構造の寄与も検討した上で高振動状態の分子内緩和速度が減少していることを明らかにした。これは1つの化学結合にエネルギーが集中した高振動状態が長寿命になることに対応し、高振動分子による選択的反応の可能性を示唆する。また種々の同位体置換したフェノールのイオン化検出赤外スペクトルを測定し、高振動状態でも緩和がランダムな経路ではなく、特定の高次結合音振動(Door way state)を一旦経由して緩和することを明らかにした。Door way stateとしてはCH振動とCC振動の結合音が考えられる。また、アミン分子DABCOに対しても本分光法を適用し、赤外吸収のみならず振動励起分子の電子遷移を観測することで分子内振動緩和過程に於て振動の対称性が保存されることを明らかにした。さらに、ナフトール分子に関しては水、アンモニアとの溶媒和クラスターの赤外吸収の観測に成功しており、これを元にクラスター構造の解析及びその反応性との関連を検討した。

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  • 赤外-紫外二重共鳴分光法による水素結合両性クラスターの高振動状態の研究

    研究課題/領域番号:09216219  1997年    

    日本学術振興会  科学研究費助成事業 重点領域研究  重点領域研究  岡崎国立共同研究機構

    藤井 正明

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    配分額:1200000円 ( 直接経費:1200000円 )

    IR Dip分光法を水素結合両性分子である7-アザインドール及びその水和クラスターに適用し、NH,OH振動の倍音準位の観測に成功した。6900cm^<-2>に観測されたバンドをNH伸縮振動の2倍音2υ_<NH>と帰属し、NH伸縮振動の基音の振動数3520cm^<-1>と合わせて振動数ω_0=3590cm^<-1>,非調和性ω_<0χ0>=-70cm^<-1>を得た。これにより解離エネルギーD_0=ω_0^2/4ω_<0χ0>=46000cm^<-1>と求めた。一方、7-アザインドール・(H_2O)_1クラスターに対しては6637cm^<-1>に