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2011 Fiscal Year Final Research Report

Molecular interpretation of the hydrophobic hydration of the amino acid derivatives using IR and THz spectroscopies and DFT calculations

Research Project

  • PDF
Project/Area Number 21550011
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Physical chemistry
Research InstitutionUniversity of Fukui

Principal Investigator

MIZUNO Kazuko  福井大学, 大学院・工学研究科, シニアフェロー (10126641)

Project Period (FY) 2009 – 2011
Keywords弱い水素結合 / C-H…OH_2 / 分子間振動スペクトル
Research Abstract

We have found "strange water molecules" in aqueous solutions of organic compounds with a polar group like alcohols, amino acid derivatives, and proteins, where hydrogen bond donating strength of O-H groups is weakened, but the hydrogen bond accepting strength of the water oxygen is strengthened. We have demonstrated that strong co-operative hydrogen bonds are formed among HO-H…O and C-H…OH_2 hydrogen bonds, which leads to the formation of the strange water. We have identified the formation of the weak hydrogen bond C-H…OH_2 as the key role of the hydrophobic hydration of the solutes. We also observed inter-molelcular vibration spectra of C-H…O=C formed within aldehyde dimer and proved experimentally the presence of the weak hydrogen bonds.

  • Research Products

    (9 results)

All 2012 2011 2010 2009

All Journal Article (1 results) Presentation (8 results)

  • [Journal Article] THz TDS of weak intermolecular hydrogen bonds ; Observations of C-H…O=C in self-associated complexes of propionaldehyde2012

    • Author(s)
      K. Mizuno, T. Kikuchi, K. Murakami, H. Nagaoka, K. Fukui, K. Yamamoto, and M. Tani
    • Journal Title

      Proceedings of International Workshop on Far-Infrared Technologies 2012

      Volume: vol.4 Pages: 275-278

  • [Presentation] THz TDS of weak intermolecular hydrogen bonds ; Observations of C-H…O=C in self-associated complexes of propionaldehyde2012

    • Author(s)
      K. Mizuno, T. Kikuchi, K. Murakami, H. Nagaoka, K. Fukui, K. Yamamoto, and M. Tani
    • Organizer
      The 4th Inter-national Workshop on Far-Infrared Technologies
    • Place of Presentation
      Univ. of Fukui, Fukui
    • Year and Date
      2012-03-08
  • [Presentation] Why is 2, 2, 2-trifluoro-ethanol a much stronger helix-forming reagent than ethanol?; a molecular interpretation based on IR and(MD+DFT) simulation studies2011

    • Author(s)
      K. Mizuno
    • Organizer
      17th International Biophysic Conference
    • Place of Presentation
      National Conference Center, Beizing
    • Year and Date
      2011-12-01
  • [Presentation] Less polar but more bound water molecules found in binary aqueous mixtures of dimethyl sulfoxide2011

    • Author(s)
      K. Mizuno
    • Organizer
      第49回日本生物物理学会年会
    • Place of Presentation
      兵庫県立大学(姫路市)
    • Year and Date
      2011-09-17
  • [Presentation] IR and THz studies of hydrophobic hydration in binary aqueous solutions of some organic solutes2010

    • Author(s)
      K. Mizuno & T. Kikuchi
    • Organizer
      Pacifichem2010
    • Place of Presentation
      コンヴェンションセンター(ホノルル)
    • Year and Date
      2010-12-18
  • [Presentation] Roles of C-H…OH_2 hydrogen bonds in hydro-phobic hydration of ethanol2010

    • Author(s)
      K. Mizuno & K. Morimoto
    • Organizer
      Pacifichem2010
    • Place of Presentation
      コンヴェンションセンター(ホノルル)
    • Year and Date
      2010-12-18
  • [Presentation] 有機化合物の水和クラスターを形成している水分子の振動数計算2010

    • Author(s)
      諸寄卓之,水野和子,玉井良則
    • Organizer
      第24回分子シミュレーション討論会
    • Place of Presentation
      福井県県民ホール(福井)
    • Year and Date
      2010-11-25
  • [Presentation] [アルキルアルコール/水]と[フルオロアルコール/水]についてのv(O-H), v(H-O-H), v(C-H)三次元グラフの比較から得られる疎水性水和の原因2010

    • Author(s)
      水野和子,菊地拓也
    • Organizer
      第33回溶液化学シンポジウム
    • Place of Presentation
      京都大学(京都市)
    • Year and Date
      2010-11-17
  • [Presentation] 弱い水素結合C-H…OH_2が疎水性水和に果たす役割:水の変角振動バンドの測定2009

    • Author(s)
      水野和子
    • Organizer
      第32回溶液化学シンポジウム
    • Place of Presentation
      朱鷺メッセ(新潟)
    • Year and Date
      2009-11-18

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Published: 2013-07-31  

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