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生体分子およびその集合体の構造形成と揺らぎに対する溶媒効果の分子論

Research Project

Project/Area Number 15076205
Research Category

Grant-in-Aid for Scientific Research on Priority Areas

Allocation TypeSingle-year Grants
Review Section Science and Engineering
Research InstitutionKyoto University

Principal Investigator

松林 伸幸  Kyoto University, 化学研究所, 准教授 (20281107)

Project Period (FY) 2003 – 2007
Project Status Completed (Fiscal Year 2007)
Budget Amount *help
¥36,400,000 (Direct Cost: ¥36,400,000)
Fiscal Year 2007: ¥7,000,000 (Direct Cost: ¥7,000,000)
Fiscal Year 2006: ¥7,000,000 (Direct Cost: ¥7,000,000)
Fiscal Year 2005: ¥7,000,000 (Direct Cost: ¥7,000,000)
Fiscal Year 2004: ¥7,000,000 (Direct Cost: ¥7,000,000)
Fiscal Year 2003: ¥8,400,000 (Direct Cost: ¥8,400,000)
Keywords溶媒和自由エネルギー / 分布関数 / エネルギー表示 / 計算枇シミュレーション / 溶質-溶媒相互作用 / 分子集合体 / 構造揺らぎ / 水 / 計算機シミュレーション / 計算機シュミレーション
Research Abstract

本研究の目的は、溶媒効果の自由エネルギーの定量的解析である。リン脂質二重膜への物質結合を系統的に検討し、タンパク質の安定性に及ぼす水の効果を自由エネルギーに即して定量的に扱った。
1.2000原子程度からなるαラクトアルブミンの水和自由エネルギーを計算した。計算値は1500kcal/mol程度におよぶ大きなものであった。蛋白質配座を固定した場合、100ps程度の短時間MDによって、計算誤差は1%程度となることも分かった。さらに、アンフォールディング経路に沿った、溶媒効果の自由エネルギー安定化が見出され、分子内効果との競合を定量的に明らかにした。
2.1,2-dimyristoy1-sn-glycero-3-phosphatidylcholine (DMPC)膜への小分子結合の自由エネルギー解析を行った。疎水性分子の場合、膜中で大きな自由エネルギー安定化が起きるが、膜内部では強い局在化の傾向が無いことを示した。SDSミセルの場合には疎水性コアへの局在化を見出しており、DMPC頭部がいくつかのメチルやメチレン基を結合し親水性が「中途半端」であることによって、疎水性コアでの局在度がDMPCの場合に弱くなることを明らかにした。溶媒和自由エネルギーをDMPCからの寄与と水からの寄与に分割し、膜の界面領域にあるとき、水は溶質を安定化する方向に働くことを見出した。
3.溶質サイズ増加に伴う溶媒和自由エネルギーの極限値を、解析的に決定した。多くの近似理論では、極限値が純溶媒の圧縮率で表されるために、溶媒和自由エネルギーを溶質体積で割ったものは、真の値(1 atm)を過大評価することを見出した。理論改善の方途が、圧縮率支配の挙動を圧力支配の挙動に転換することにあることを明らかにした。

Report

(5 results)
  • 2007 Annual Research Report
  • 2006 Annual Research Report
  • 2005 Annual Research Report
  • 2004 Annual Research Report
  • 2003 Annual Research Report
  • Research Products

    (81 results)

All 2008 2007 2006 2005 2004 Other

All Journal Article (43 results) (of which Peer Reviewed: 12 results) Presentation (23 results) Book (3 results) Publications (12 results)

  • [Journal Article] Free Energy of Solvation in the Energetic Perspective2008

    • Author(s)
      Matubayasi, N.
    • Journal Title

      Computation in Modern Science and Engineering, Proceedings of International Conference on Computational Methods in Science and Engineering 2007 (ICCMSE 2007)

      Pages: 342-345

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect2008

    • Author(s)
      Giordani, C., Wakai, C., Yoshida, K., Okamura, E., Matubayasi, N. & Nakahara, M
    • Journal Title

      J. Phys. Chem. B 111(印刷中)

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Slowdown of H/D Exchange Reaction Rate and Water Dynamics in Ionic Liquids: Deactivation of Solitary Water Solvated by Small Anions in 1-Butyl-3-Methylimidazolium Chloride.2007

    • Author(s)
      Yasaka, Y., Wakai, C., Matubayasi, N. & Nakahara, M.
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 541-543

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Kinetic Study on Disproportionations of C1 Aldehydes in Supercritical Water: Methanol from Formaldehyde and Formic Acid2007

    • Author(s)
      Morooka, S., Matubayasi, N. & Nakahara, M.
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 2697-2705

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Chemical equilibrium of formaldehyde and methanediol in hot water: Free-energy analysis of the solvent effect.2007

    • Author(s)
      Matubayasi, N., Morooka, S., Nakahara, M. & Takahashi, H
    • Journal Title

      J. Mol. Liq. 134

      Pages: 58-63

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] High-sensitivity Raman Spectroscopy of Supercritical Water and Methanol over a Wide Range of Density2007

    • Author(s)
      Yasaka, Y., Kubo, M., Matubayasi, N. & Nakahara, M
    • Journal Title

      Bull. Chem. Soc. Japan 80

      Pages: 1764-1769

    • NAID

      10019847192

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Rotational dynamics of water and benzene controlled by anion field in ionic liquids: 1-buty1-3-methylimidazolium chloride and hexafluorophosphate.2007

    • Author(s)
      Yasaka, Y., Wakai, C., Matubayasi, N. & Nakahara, M
    • Journal Title

      J. Chem. Phys 127

      Pages: 1045068-1045068

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene2007

    • Author(s)
      Yoshida, K., Matubayasi, N. & Nakahara, M
    • Journal Title

      J. Chem. Phys 127

      Pages: 17450913-17450913

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Hydration Free Energy of Hard-Sphere Solute over a Wide Range of Size Studied by Various Types of Solution Theories.2007

    • Author(s)
      Matubayasi, N., Kinoshita, M. & Nakahara, M
    • Journal Title

      Condensed Matter Physics 10

      Pages: 471-480

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] A New High Temperature Multinuclear Magnetic Resonance Probe for Structure, Dynamics, and Reaction in Supercritical Water.2007

    • Author(s)
      Yoshida, K., Matubayasi, N., Nakahara, M., Ikeda, T. & Anai, T.
    • Journal Title

      JEOL News 42

      Pages: 16-20

    • Related Report
      2007 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 高温多核拡散NMRプローブ開発と超臨界水中の構造・ダイナミクス・反応研究への応用2007

    • Author(s)
      吉田 健、松林 伸幸、中原 勝、池田 武義、穴井 孝弘
    • Journal Title

      日本電子News 39

      Pages: 1-7

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] 高温多核拡散NMRプローブ開発と超臨界水中の構造・ダイナミクス・反応研究への応用2007

    • Author(s)
      中原 勝、松林 伸幸、八坂 能郎
    • Journal Title

      化学 62

      Pages: 12-16

    • Related Report
      2007 Annual Research Report 2006 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Slowdown of H/D Exchange Reaction Rate and Water Dynamics in Ionic Liquids: Deactivation of Solitary Water Solvated by Small Anions in 1-Buty1-3-Methylimidazolium Chloride.2007

    • Author(s)
      Yasaka, Y., Wakai, C., Matubayasi, N. & Nakahara, M.
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 541-543

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Rotational dynamics of water and benzene controlled by anion field in ionic liquids: 1-butyl-3-methylimidazolium chloride and hexafluorophosphate.2007

    • Author(s)
      Yasaka, Y., Wakai, C., Matubayasi, N. & Nakahara, M
    • Journal Title

      J. Chem. Phys 127

    • Related Report
      2006 Annual Research Report
  • [Journal Article] A New High Temperature Multinuclear Magnetic Resonance Probe for Structure, Dynamics,and Reaction in Supercritical Water.2007

    • Author(s)
      Yoshida, K., Matubayasi, N., Nakahara, M., Ikeda, T. & Anai, T.
    • Journal Title

      JEOL News 42

      Pages: 16-20

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Pair-correlation entropy of hydrophobic hydration : Decomposition into translational and orientational contributions and analysis of solute-size effects2006

    • Author(s)
      M.Kinoshita, N.Matubayasi, Y.Harano, M.Nakahara
    • Journal Title

      J.Chem.Phys. 124

      Pages: 24512-24512

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Preferential hydration of proteins : A Kirkwood-Buff approach2006

    • Author(s)
      S.Shimizu, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett. 420

      Pages: 518-522

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Free-energy analysis of solubilization in micelle2006

    • Author(s)
      N.Matubayasi, Kuo-Kan Liang, M.Nakahara
    • Journal Title

      J.Chem.Phys. 124(in press)

    • Related Report
      2005 Annual Research Report
  • [Journal Article] The Hofmeister effect and protein-salt interactions2006

    • Author(s)
      S.Shimizu, W.M.McLaren, N.Matubayasi
    • Journal Title

      J.Chem.Phys. 124(in press)

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Hydrothermal reactions of formaldehyde and formic acid : Free-energy analysis of equilibrium2005

    • Author(s)
      N.Matubayasi, M.Nakahara
    • Journal Title

      J.Chem.Phys. 122

      Pages: 74509-74509

    • Related Report
      2005 Annual Research Report
  • [Journal Article] An approach to the solvation free energy in terms of the distributions functions of the solute-solvent interaction energy2005

    • Author(s)
      N.Matubayasi, M.Nakahara
    • Journal Title

      J.Mol.Liq. 119

      Pages: 23-29

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Nuclear magnetic resonance and molecular dynamics simulation study on the reorientational relaxation of solutes in supercritical methanol2005

    • Author(s)
      T.Yamaguchi, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Mol.Liq. 119

      Pages: 119-123

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Real-time in-cell ^<19>F NMR study on uptake of fluorescent and nonfluorescent ^<19>F-octaarginines into human jurkat cells2005

    • Author(s)
      E.Okamura, K.Ninomiya, S.Futaki, Y.Nagai, T.Kimura, C.Wakai, N.Matubayasi, Y.Sugiura, M.Nakahara
    • Journal Title

      Chem.Lett. 34

      Pages: 1064-1065

    • NAID

      10016469741

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Mechanisms and Kinetics of Noncatalytic Ether Reaction in Supercritical Water. 1. Proton-Transferred Fragmentation of Diethyl Ether to Acetaldehyde in Competition with Hydrolysis2005

    • Author(s)
      Y.Nagai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A 109

      Pages: 3550-3557

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Mechanisms and Kinetics of Noncatalytic Ether Reaction in Supercritical Water. 2. Proton-Transferred Fragmentation of Dimethyl Ether to Formaldehyde in Competition with Hydrolysis2005

    • Author(s)
      Y.Nagai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A 109

      Pages: 3558-3564

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Hydrothermal Carbon-Carbon Bond Formation and Disproportionations of C1 Aldehydes : Formaldehyde and Formic Acid2005

    • Author(s)
      S.Morooka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A 109

      Pages: 6610-6619

    • Related Report
      2005 Annual Research Report
  • [Journal Article] A novel quantum mechanical/molecular mechanical approach to the free energy calculation for isomerization of glycine in aqueous solution2005

    • Author(s)
      H.Takahashi, Y.Kawashima, T.Nitta, N.Matubayasi
    • Journal Title

      J.Chem.Phys. 123

      Pages: 124504-124504

    • Related Report
      2005 Annual Research Report
  • [Journal Article] A new high-temperature multinuclear-magnetic-resonance probe and the self-diffusion of light and heavy water in sub- and supercritical conditions2005

    • Author(s)
      K.Yoshida, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Chem.Phys. 123

      Pages: 164506-164506

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Hydrothermal reactions of formaldehyde and formic acid : Free-energy analysis of equilibrium2005

    • Author(s)
      Matubayasi, N., Nakahara, M.
    • Journal Title

      J.Chem.Phys. 122

      Pages: 74509-74509

    • Related Report
      2004 Annual Research Report
  • [Journal Article] NMR Study on the Reorientational Relaxation in Supercritical Alcohols2004

    • Author(s)
      Yamaguchi, T., Matubayasi, N., Nakahara, M.
    • Journal Title

      J.Phys.Chem. A 108

      Pages: 1319-1324

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Carbon-Carbon Bond Formation in Glycolic Acid Generated Spontaneously from Dichloromethane in Hot Water2004

    • Author(s)
      Wakai, C., Morooka, S., Matubayasi, N., Nakahara, M.
    • Journal Title

      Chem.Lett. 33

      Pages: 302-303

    • NAID

      10012723021

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Synthesis of Dimethyl Ether from Supercritical Methanol in the Presence of Aluminum2004

    • Author(s)
      Usui, Y., Wakai, C., Matubayasi, N., Nakahara, M.
    • Journal Title

      Chem.Lett. 33

      Pages: 394-395

    • NAID

      10012846914

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Side-Chain Conformational Thermodynamics of Aspartic Acid Residue in the Peptides and Achatin-I in Aqueous Solution2004

    • Author(s)
      Kimura, T., Matubayasi, N., Nakahara, M.
    • Journal Title

      Biophysical J. 86

      Pages: 1124-1137

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Hot Water Induces an Acid-Catalyzed Reaction in Its Undissociated Form2004

    • Author(s)
      Nagai, Y., Matubayasi, N., Nakahara, M
    • Journal Title

      Bull.Chem.Soc. Japan 77

      Pages: 691-697

    • NAID

      10012848901

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Effect of Concentration, Acid, Temperature, and Metal on Competitive Reaction Pathways for Decarbonylation and Decarboxylation of Formic Acid in Hot Water2004

    • Author(s)
      Wakai C., Yoshida, K., Tsujino, Y., Matubayasi, N., Nakahara, M.
    • Journal Title

      Chem.Lett. 33

      Pages: 572-573

    • NAID

      10012943734

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Noncatalytic Disproportionation and Decarbonylation Reactions of Benzaldehyde in Supercritical Water2004

    • Author(s)
      Nagai, Y., Matubayasi, N., Nakahara, M
    • Journal Title

      Chem.Lett. 33

      Pages: 622-623

    • NAID

      10012944167

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Acid-Catalyzed Hydrothermal Formation of Carbon-Carbon Bond in Glycolic Acid from a Series of Formaldehyde Producers2004

    • Author(s)
      Morooka, S., Wakai, C., Matubayasi, N., Nakahara, M
    • Journal Title

      Chem.Lett. 33

      Pages: 624-625

    • NAID

      10012944179

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Noncatalytic kinetic study on site-selective H/D exchange reaction of phenol in sub- and supercritical water2004

    • Author(s)
      Kubo, M., Takizawa., Wakai, C., Matubayasi, N., Nakahara, M
    • Journal Title

      J.Chem.Phys. 121

      Pages: 960-969

    • Related Report
      2004 Annual Research Report
  • [Journal Article] NMR Study on the Binding of Neuropeptide Achatin-I to Phospholipid Bilayer : The Equilibrium, Location, and Peptide Conformation2004

    • Author(s)
      Kimura, T., Okamura, B., Matubayasi, N., Nakahara, M
    • Journal Title

      Biophysical J. 87

      Pages: 375-385

    • Related Report
      2004 Annual Research Report
  • [Journal Article] NMR Spectroscopic Evidence for an Intermediate of Formic Acid in the Water-Gas-Shift Reaction2004

    • Author(s)
      Yoshida, K., Wakai, C., Matubayasi, N., Nakahara, M.
    • Journal Title

      J.Phys.Chem. A 108

      Pages: 7479-7482

    • Related Report
      2004 Annual Research Report
  • [Journal Article] A quantum chemical approach to the free energy calculations in condensed systems : The QM/MM method combined with the theory of energy representation2004

    • Author(s)
      Takahashi, H., Matubayasi, N., Nakahara, M., Nitta, T
    • Journal Title

      J.Chem.Phys. 121

      Pages: 3989-3999

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Mechanisms and kinetics of acetaldehyde reaction in supercritical water : Noncatalytic disproportionation, condensation, and decarbonylation2004

    • Author(s)
      Y.Nagai, S.Morooka, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem. A 108

      Pages: 11635-11643

    • Related Report
      2004 Annual Research Report
  • [Journal Article] Limited slowdown of endocrine-disruptor diffusion in confined fluid lipid membranes2004

    • Author(s)
      E.Okamura, C.Wakai, N.Matubayasi, Y.Sugiura, M.Nakahara
    • Journal Title

      Phys.Chem.Lett. 93

      Pages: 248101-248101

    • Related Report
      2004 Annual Research Report
  • [Presentation] NMRとMDによる超臨界水のダイナミクスの研究2008

    • Author(s)
      松林 伸幸
    • Organizer
      日本学術振興会 蒸気性質第139委員会 第8期・第13回全体会議
    • Place of Presentation
      東京
    • Year and Date
      2008-01-28
    • Related Report
      2007 Annual Research Report
  • [Presentation] Elucidation of Protein-solvent-solute interactions via Free Energy Calculations2008

    • Author(s)
      Alastair Dewar, Seishi Shimizu, and Nobuyuki Matubayasi
    • Organizer
      BIOMOLECULAR SIMULATION 2008: frontiers of biomolecular simulation
    • Place of Presentation
      Bristol Zoo, UK
    • Related Report
      2007 Annual Research Report
  • [Presentation] Free-energy analysis of the solvent effect and interaction of functional molecules in solution2008

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      特定領域研究「水と生体分子が織り成す生命現象の化学」第5回公開ワークショップ
    • Place of Presentation
      奈良
    • Related Report
      2007 Annual Research Report
  • [Presentation] 溶媒和殼概念から見た超臨界水のダイナミクスのMDによる研究2008

    • Author(s)
      中原 勝、吉田 健、松林 伸幸
    • Organizer
      文部科学省「最先端・高性能スーパーコンピュータの開発利用」プロジェクト 次世代ナノ統合シミュレーションソフトウェアの研究開発 第2回公開シンポジウム
    • Place of Presentation
      岡崎
    • Related Report
      2007 Annual Research Report
  • [Presentation] 重水素化イオン液体中におけるイミダソリウムカチオンの立体構造及び液体構造の過渡的1H NOE法による解析2008

    • Author(s)
      若井 千尋、八坂 能郎、松林 伸幸、中原 勝
    • Organizer
      日本化学会第88春季年会
    • Place of Presentation
      東京
    • Related Report
      2007 Annual Research Report
  • [Presentation] イミダゾリウム系およびアルキルアンモニウム系イオン液体中での水およびベンゼンの回転ダイナミクスのNMRによる解析2008

    • Author(s)
      木村 浩、八坂 能郎、若井 千尋、松林 伸幸、中原 勝
    • Organizer
      日本化学会第88春季年会
    • Place of Presentation
      東京
    • Related Report
      2007 Annual Research Report
  • [Presentation] リン脂質二分子膜における分子間相互作用のNOE観測:ベシクルサイズ効果と温度効果2008

    • Author(s)
      新谷 恵、吉田 健、松林 伸幸、中原 勝
    • Organizer
      日本化学会第88春季年会
    • Place of Presentation
      東京
    • Related Report
      2007 Annual Research Report
  • [Presentation] Free energy of solvation in the energetic perspective2007

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      International Mini-Symposium on Liquids
    • Place of Presentation
      岡山大学創立五十周年記念館
    • Year and Date
      2007-05-11
    • Related Report
      2007 Annual Research Report
  • [Presentation] Free energy of solvation in the energetic perspective2007

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Multiscale Dynamics of Biomolecules 2007
    • Place of Presentation
      Taipei, Taiwan
    • Related Report
      2007 Annual Research Report
  • [Presentation] Anion-field Effect on Rotational Dynamics of Water and Benzene in Ionic Liquids: 1-Butyl-3-methylimidazolium Chloride and Hexafluorophosphate2007

    • Author(s)
      Chihiro Wakai, Yoshiro Yasaka, Nobuyuki Matubayasi, and Masaru Nakahara
    • Organizer
      The 2nd International Congress on Ionic Liquids (COIL-2)
    • Place of Presentation
      横浜
    • Related Report
      2007 Annual Research Report
  • [Presentation] Free Energy of Solvation in the Energetic Perspective2007

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      ICCMSE (International Conference of Computational Methods in Sciences and Engineering) 2007
    • Place of Presentation
      Corfu, Greece
    • Related Report
      2007 Annual Research Report
  • [Presentation] 高温高圧水中におけるギ酸を用いたC-C結合生成反応:アセトアルデヒドから乳酸への化学進化2007

    • Author(s)
      諸岡 紗以子、松林 伸幸、中原 勝
    • Organizer
      第48回高圧討論会
    • Place of Presentation
      倉吉パークスクエア
    • Related Report
      2007 Annual Research Report
  • [Presentation] Solution Chemistry of Supercritical Water through Development of High-Temperature NMR Spectroscopy and Solution Theory2007

    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] Free-Energy Analysis of Binding into Nanoscale Structures in Solution with the Method of Energy Representation2007

    • Author(s)
      Nobuyuki Matubayasi, Wataru Shinoda, Masaru Nakahara
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] Hydrothermal C-C Bond Formation with Formic Acid from C2 to C3 Compounds: Lactic Acid from Acetaldehyde2007

    • Author(s)
      Saiko Morooka, Nobuyuki Matubayasi, Masaru Nakahara
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] Self-diffusion and rotation in supercritical water and benzene and their dependencies on the solvation shell state and lifetime2007

    • Author(s)
      Ken Yoshida, Nobuyuki Matubayasi, and Masaru Nakahara
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] Rotaional Dynamics of Water in Imidazolium Ionic Liquids Controlled by Anion Field: Cl^- and PF_6^-2007

    • Author(s)
      Yoshiro Yasaka, Chihiro Wakai, Nobuyuki Matubayasi, Masaru Nakahara
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] Comparative Free-Energy Analysis of Aromatic Compounds Solvated in Octanol and Water2007

    • Author(s)
      Jianyi Wang, Nobuyuki Matubayasi, and Masaru Nakahara
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] NMR NOE study on vertical fluctuation and orientational relaxation of intermolecular correlation in lipid bilayer2007

    • Author(s)
      Ken Yoshida, Megumi Shintani, Nobuyuki Matubayasi, and Masaru Nakahara
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] Dynamics of Solvation of Water and Benzene in Imidazolium-Based and Pyrrolidinium-Based Ionic Liquids: The Effects of Local Electric Field2007

    • Author(s)
      Yoshiro Yasaka, Hiroshi Kimura, Chihiro Wakai, Nobuyuki Matubayasi, Masaru Nakahara
    • Organizer
      Joint Conference of JMLG/EMLG Meeting 2007 and 30th Symposium on Solution Chemistry of Japan
    • Place of Presentation
      Fukuoka University, Fukuoka
    • Related Report
      2007 Annual Research Report
  • [Presentation] 生体モデル膜への物質結合の自由エネルギー解析2007

    • Author(s)
      松林 伸幸、篠田 渉、中原 勝
    • Organizer
      第21回分子シミュレーション討論会
    • Place of Presentation
      金沢
    • Related Report
      2007 Annual Research Report
  • [Presentation] エネルギー表示法による溶液中での接触イオン対生成の自由エネルギー解析2007

    • Author(s)
      竹内 宗孝、松林 伸幸、梅林 泰宏、石黒 慎一
    • Organizer
      第21回分子シミュレーション討論会
    • Place of Presentation
      金沢
    • Related Report
      2007 Annual Research Report
  • [Presentation] 分子動力学計算による脂質二重層膜内コレステロールNMRスペクトルの分子機構の研究2007

    • Author(s)
      安藤 嘉倫、吉井範行、吉田健、松林伸幸、中原 勝、岡崎 進
    • Organizer
      第21回分子シミュレーション討論会
    • Place of Presentation
      金沢
    • Related Report
      2007 Annual Research Report
  • [Book] 水和の統計熱力学と超臨界水・熱水のエネルギー・環境化学2005

    • Author(s)
      松林 伸幸, 中原 勝
    • Total Pages
      76
    • Publisher
      現代化学
    • Related Report
      2005 Annual Research Report
  • [Book] 第5版実験化学講座第6巻 温度・熱、圧力2005

    • Author(s)
      松林 伸幸
    • Total Pages
      547
    • Publisher
      丸善
    • Related Report
      2005 Annual Research Report
  • [Book] 化学便覧基礎編II(日本化学会編)2004

    • Author(s)
      松林伸幸
    • Total Pages
      946
    • Publisher
      丸善
    • Related Report
      2004 Annual Research Report
  • [Publications] Y.Nagai, C.Wakai, N.Matubayasi, M.Nakahara: "Noncatalytic Cannizzaro-type Reaction of Acetaldehyde in Supercritical Water"Chemistry Letters. 32. 310-311 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] N.Matubayasi, M.Nakahara: "Theory of solutions in the energy representation. III. Treatment of the molecular flexibility"Journal of Chemical Physics. 119. 9686-9702 (2003)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Kimura N.Matubayasi, M.Nakahara: "Side-Chain Conformational Thermodynamics of Aspartic Acid Residue in the Peptides and Achatin-I in Aqueous Solution"Biophysical Journal. 86. 1124-1137 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Yamaguchi, N.Matubayasi, M.Nakahara: "NMR Study on the Reorientational Relaxation in Supercritical Alcohols"Journal of Physical Chemistry A. 108. 1319-1324 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] C.Wakai, S.Morooka, N.Matubayasi, M.Nakahara: "Carbon-Carbon Bond Formation in Glycolic Acid Generated Spontaneously from Dichloromethane in Hot Water"Chemistry Letters. 33. 302-303 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Y.Usui, C.Wakai, N.Matubayasi, M.Nakahara: "Synthesis of Dimethyl Ether from Supercritical Methanol in the Presence of Aluminum"Chemistry Letters. 33. 394-395 (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Y.Nagai, N.Matubayasi, M.Nakahara: "Hot Water Induces an Acid-Catalyzed Reaction in Its Undissociated Form"Bulletin of the Chemical Society of Japan. 77(in press). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] C.Wakai, K.Yoshida, Y.Tsujino, N.Matubayasi, M.Nakahara: "Effect of Concentration, Acid, Temperature, and Metal on Competitive Reaction Pathways for Decarbonylation and Decarboxylation of Formic Acid in Hot Water"Chemistry Letters. 33(in press). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] S.Morooka, C.Wakai, N.Matubayasi, M.Nakahara: "Acid-Catalyzed Hydrothermal Formation of Carbon-Carbon Bond in Glycolic Acid from a Series of Formaldehyde Producers"Chemistry Letters. 33(in press). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] Y.Nagai, N.Matubayasi, M.Nakahara: "Noncatalytic Disproportionation and Decarbonylation Reactions of Benzaldehyde in Supercritical Water"Chemistry Letters. 33(in press). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] T.Kimura, E.Okamura, N.Matubayasi, K.Asami, M.Nakahara: "NMR Study on the Binding of Neuropeptide Achatin-I to Phospholipid Bilayer : The Equilibrium, Location, and Peptide Conformation"Biophysical Journal. 86(in press). (2004)

    • Related Report
      2003 Annual Research Report
  • [Publications] 松林 伸幸: "化学便覧 基礎編II(日本化学会編)"丸善. II 130-II 144 (2004)

    • Related Report
      2003 Annual Research Report

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Published: 2003-04-01   Modified: 2018-03-28  

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