Water Dynamics ; Fluctuations, Phase Transitions and Reactions

• Project/Area Number: 19350009
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical chemistry
• Research Institution: Nagoya University
• Principal Investigator: OHMINE Iwao Nagoya University, 大学院・理学研究科, 教授 (60146719)
• Co-Investigator(Kenkyū-buntansha): SAITO Shinji 自然科学研究機構, 分子科学研究所, 教授 (70262847)
• Project Period (FY): 2007 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥18,070,000 (Direct Cost: ¥13,900,000、Indirect Cost: ¥4,170,000); Fiscal Year 2008: ¥8,970,000 (Direct Cost: ¥6,900,000、Indirect Cost: ¥2,070,000); Fiscal Year 2007: ¥9,100,000 (Direct Cost: ¥7,000,000、Indirect Cost: ¥2,100,000)
• Keywords: 水, 水素結合ネットワーク / 揺らぎ / 氷化 / 融解 / 生体高分子反応 / プロトン移動 / イオンチャネル / 水 / 氷 / 水素結合ネットワーク / 水素結合 / 相転移 / 水和 / 単体高分子反応

Research Abstract

水の構造揺らぎ、それが相転移に及ぼす影響を解析し、また生体分子の反応過程における、水分子と蛋白質に因って作られる水素結合構造の揺らぎとその効果、などを調べ、
1)氷の融解、氷化過程を新しいネットワーク解析法を用いて、その分子機構を明らかにした.
2)モデルイオンチャネル系でエントロピー(長時間支配)とエネルギー(短時間支配)のバランスによって効率の良いイオン輸送が行われていることを明らかにした.
3)光励起黄色蛋白質の光サイクルの解明、光合成の反応中心で生じる光駆動プロトン取り込み機構を解明した.

Research Products

• [Journal Article] Proton Transfer Reactions in Reaction Center of Photosynthetic Bacteria, Rhodobacter sphaeroides (2009)
  • Author(s): Yu Kaneko, Shigehiko Hayashi and Iwao Ohmine
  • Journal Title: J, Phys. Chem. B (in press)
  • Peer Reviewed
• [Journal Article] Molecular dynamics simulation of nonlinear spectroscopies of intermolecular motions in liquid water (2009)
  • Author(s): T. Yagasaki and S. Saito
  • Journal Title: Acc. Chem Res (in press)
  • Peer Reviewed
• [Journal Article] Multiple time scales hidden in heterogeneous dynamics of glass-forming liquids (2009)
  • Author(s): K. Kim and S. Saito
  • Journal Title: Phys. Rev. E (Rapid Communication) (in press)
  • Peer Reviewed
• [Journal Article] Anisotropic Cooperative Structural Rearrange-ments in Sheared Supercooled Liquids (2009)
  • Author(s): A.Furukawa, K. Kim, S. Saito and H. Tanaka
  • Journal Title: Phys. Rev. Lett 102 Pages: 16001-16001
  • Peer Reviewed
• [Journal Article] Proton Transfer Reactions in Reaction Center of Photosynthetic Bacteria, Rhodobacter sphaeroides (2009)
  • Author(s): Yu Kaneko, Shigehiko Hayashi, Iwao Ohmine
  • Journal Title: Journal of Physical Chemistry B (掲載確定印刷中)
  • Peer Reviewed
• [Journal Article] Ultrafast intermolecular dynamics of liquid water : A theoretical study on two-dimensional infrared spectroscoy (2008)
  • Author(s): T. Yagasaki and S. Saito
  • Journal Title: J. Chem. Phys 128 Pages: 154521-154521
  • Peer Reviewed
• [Journal Article] Topological building blocks of hydrogen bond network in water (2007)
  • Author(s): M. Matsumoto, A. Baba and I. Ohmine
  • Journal Title: J. Chem. Phys 127 Pages: 1345041-9
  • Peer Reviewed
• [Journal Article] Proton Transfer and Associated Molecular Rearrangements in Photocycle of Photoactive Yellow Protein ; Role of Water Molecular Migration on Proton Transfer Reaction (2007)
  • Author(s): M. Kamiya, S.Saito and I. Ohmine
  • Journal Title: J. Phys. Chem. B 111 Pages: 2948-2956
  • Peer Reviewed
• [Journal Article] "Topological building blocks of hydrogen bond network in water" (2007)
  • Author(s): M. Matsumoto, A. Baba, and I. Ohmine
  • Journal Title: J. Chem. Phys. 127 Pages: 134504-134504
  • Peer Reviewed
• [Presentation] Intermolecular Dynamics of Water : Theoretical Studies of Heat Capacity and Nonlinear Infrared Spectroscopy (2009)
  • Author(s): S. Saito
  • Organizer: India-Japan Workshop on Frontiers in Molecular Spectroscopy and Theory
  • Place of Presentation: Kolkata
• [Presentation] Molecular Simulations of signal transduction protein Ras : Structural changes and fluctuations (2009)
  • Author(s): S. Saito
  • Place of Presentation: Seoul
• [Presentation] TCS-2009 ; Theoretical Chemistry Symposium (2009)
  • Author(s): I. Ohmine
  • Place of Presentation: Bangalore, India
• [Presentation] 水の多様性の発現機構の研究 (2008)
  • Author(s): 大峯 巖, (名大院理)
  • Organizer: 日本化学会
  • Place of Presentation: 立教大学池袋キャンパス
  • Year and Date: 2008-03-29
• [Presentation] TACC 2008, Theory and Applications of Computational Chemistry 2008 (2008)
  • Author(s): I. Ohmine
  • Place of Presentation: Shanghai, China
• [Presentation] Ultrafast Intermolecular Dynamics of Water (2008)
  • Author(s): S. Saito
  • Organizer: 4th conference on coherent multi-dimensional spectroscopy
  • Place of Presentation: Kyoto
• [Presentation] Second International Symposium on "Molecular Theory for Real Systems" (2008)
  • Author(s): I. Ohmine
  • Place of Presentation: Okazaki, Japan
• [Presentation] Water Dynamics ; Fluctuation, Phase Transition and Reactions (2008)
  • Author(s): 大峰巌
  • Organizer: TACC2008 ; Theory and Applications of Computational Chemistry 2008
  • Place of Presentation: 中国 上海
• [Presentation] Theoretical two-dimensional spectroscopy of water (2007)
  • Author(s): S. Saito
  • Organizer: Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan 'Molecular Approaches to Complex Liquids System'
  • Place of Presentation: Fukuoka
• [Presentation] International workshop on "Energy Landscape" (2007)
  • Author(s): I. Ohmine
  • Place of Presentation: Petritoli, Italy
• [Presentation] Theoretical two-dimensional spectroscopy of water (2007)
  • Author(s): S. Saito
  • Place of Presentation: Jeju, Korea
• [Remarks]
  • URL: http://theochem.chem.nagoya-u.ac.jp/wiki/wiki.cgi