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2008 Fiscal Year Final Research Report

Water Dynamics ; Fluctuations, Phase Transitions and Reactions

Research Project

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Project/Area Number 19350009
Research Category

Grant-in-Aid for Scientific Research (B)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionNagoya 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
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
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

    (17 results)

All 2009 2008 2007 Other

All Journal Article (7 results) (of which Peer Reviewed: 7 results) Presentation (9 results) Remarks (1 results)

  • [Journal Article] Proton Transfer Reactions in Reaction Center of Photosynthetic Bacteria, Rhodobacter sphaeroides2009

    • 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 water2009

    • 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 liquids2009

    • 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 Liquids2009

    • Author(s)
      A.Furukawa, K. Kim, S. Saito and H. Tanaka
    • Journal Title

      Phys. Rev. Lett 102

      Pages: 016001

    • Peer Reviewed
  • [Journal Article] Ultrafast intermolecular dynamics of liquid water : A theoretical study on two-dimensional infrared spectroscoy2008

    • Author(s)
      T. Yagasaki and S. Saito
    • Journal Title

      J. Chem. Phys 128

      Pages: 154521

    • Peer Reviewed
  • [Journal Article] Topological building blocks of hydrogen bond network in water2007

    • Author(s)
      M. Matsumoto, A. Baba and I. Ohmine
    • Journal Title

      J. Chem. Phys 127

      Pages: 134504 1-9

    • Peer Reviewed
  • [Journal Article] Proton Transfer and Associated Molecular Rearrangements in Photocycle of Photoactive Yellow Protein ; Role of Water Molecular Migration on Proton Transfer Reaction2007

    • Author(s)
      M. Kamiya, S.Saito and I. Ohmine
    • Journal Title

      J. Phys. Chem. B 111

      Pages: 2948-2956

    • Peer Reviewed
  • [Presentation] Intermolecular Dynamics of Water : Theoretical Studies of Heat Capacity and Nonlinear Infrared Spectroscopy2009

    • Author(s)
      S. Saito
    • Organizer
      India-Japan Workshop on Frontiers in Molecular Spectroscopy and Theory
    • Place of Presentation
      Kolkata
    • Year and Date
      20090307-09
  • [Presentation] Molecular Simulations of signal transduction protein Ras : Structural changes and fluctuations2009

    • Author(s)
      S. Saito
    • Place of Presentation
      Seoul
    • Year and Date
      20090227-0302
  • [Presentation] TCS-2009 ; Theoretical Chemistry Symposium2009

    • Author(s)
      I. Ohmine
    • Place of Presentation
      Bangalore, India
    • Year and Date
      20090117-21
  • [Presentation] TACC 2008, Theory and Applications of Computational Chemistry 20082008

    • Author(s)
      I. Ohmine
    • Place of Presentation
      Shanghai, China
    • Year and Date
      20080922-27
  • [Presentation] Ultrafast Intermolecular Dynamics of Water2008

    • Author(s)
      S. Saito
    • Organizer
      4th conference on coherent multi-dimensional spectroscopy
    • Place of Presentation
      Kyoto
    • Year and Date
      20080827-30
  • [Presentation] Second International Symposium on "Molecular Theory for Real Systems"2008

    • Author(s)
      I. Ohmine
    • Place of Presentation
      Okazaki, Japan
    • Year and Date
      20080804-06
  • [Presentation] Theoretical two-dimensional spectroscopy of water2007

    • 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
    • Year and Date
      20071121-25
  • [Presentation] International workshop on "Energy Landscape"2007

    • Author(s)
      I. Ohmine
    • Place of Presentation
      Petritoli, Italy
    • Year and Date
      20070722-28
  • [Presentation] Theoretical two-dimensional spectroscopy of water2007

    • Author(s)
      S. Saito
    • Place of Presentation
      Jeju, Korea
    • Year and Date
      20070705-07
  • [Remarks]

    • URL

      http://theochem.chem.nagoya-u.ac.jp/wiki/wiki.cgi

URL: 

Published: 2010-06-10   Modified: 2016-04-21  

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