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

• Project/Area Number: 15076205
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Kyoto 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: ¥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。

Research Products

• [Journal Article] Free Energy of Solvation in the Energetic Perspective (2008)
  • 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
  • Peer Reviewed
• [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect (2008)
  • Author(s): Giordani, C., Wakai, C., Yoshida, K., Okamura, E., Matubayasi, N. & Nakahara, M
  • Journal Title: J. Phys. Chem. B 111(印刷中)
  • 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
  • Peer Reviewed
• [Journal Article] Kinetic Study on Disproportionations of C1 Aldehydes in Supercritical Water: Methanol from Formaldehyde and Formic Acid (2007)
  • Author(s): Morooka, S., Matubayasi, N. & Nakahara, M.
  • Journal Title: J. Phys. Chem. A 111 Pages: 2697-2705
  • 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
  • Peer Reviewed
• [Journal Article] High-sensitivity Raman Spectroscopy of Supercritical Water and Methanol over a Wide Range of Density (2007)
  • Author(s): Yasaka, Y., Kubo, M., Matubayasi, N. & Nakahara, M
  • Journal Title: Bull. Chem. Soc. Japan 80 Pages: 1764-1769
  • NAID: 10019847192
  • 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
  • Peer Reviewed
• [Journal Article] Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene (2007)
  • Author(s): Yoshida, K., Matubayasi, N. & Nakahara, M
  • Journal Title: J. Chem. Phys 127 Pages: 17450913-17450913
  • 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
  • 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
  • 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
  • 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
  • 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
• [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
• [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
• [Journal Article] Pair-correlation entropy of hydrophobic hydration : Decomposition into translational and orientational contributions and analysis of solute-size effects (2006)
  • Author(s): M.Kinoshita, N.Matubayasi, Y.Harano, M.Nakahara
  • Journal Title: J.Chem.Phys. 124 Pages: 24512-24512
• [Journal Article] Preferential hydration of proteins : A Kirkwood-Buff approach (2006)
  • Author(s): S.Shimizu, N.Matubayasi
  • Journal Title: Chem.Phys.Lett. 420 Pages: 518-522
• [Journal Article] Free-energy analysis of solubilization in micelle (2006)
  • Author(s): N.Matubayasi, Kuo-Kan Liang, M.Nakahara
  • Journal Title: J.Chem.Phys. 124(in press)
• [Journal Article] The Hofmeister effect and protein-salt interactions (2006)
  • Author(s): S.Shimizu, W.M.McLaren, N.Matubayasi
  • Journal Title: J.Chem.Phys. 124(in press)
• [Journal Article] Hydrothermal reactions of formaldehyde and formic acid : Free-energy analysis of equilibrium (2005)
  • Author(s): N.Matubayasi, M.Nakahara
  • Journal Title: J.Chem.Phys. 122 Pages: 74509-74509
• [Journal Article] An approach to the solvation free energy in terms of the distributions functions of the solute-solvent interaction energy (2005)
  • Author(s): N.Matubayasi, M.Nakahara
  • Journal Title: J.Mol.Liq. 119 Pages: 23-29
• [Journal Article] Nuclear magnetic resonance and molecular dynamics simulation study on the reorientational relaxation of solutes in supercritical methanol (2005)
  • Author(s): T.Yamaguchi, N.Matubayasi, M.Nakahara
  • Journal Title: J.Mol.Liq. 119 Pages: 119-123
• [Journal Article] Real-time in-cell ^<19>F NMR study on uptake of fluorescent and nonfluorescent ^<19>F-octaarginines into human jurkat cells (2005)
  • 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
• [Journal Article] Mechanisms and Kinetics of Noncatalytic Ether Reaction in Supercritical Water. 1. Proton-Transferred Fragmentation of Diethyl Ether to Acetaldehyde in Competition with Hydrolysis (2005)
  • Author(s): Y.Nagai, N.Matubayasi, M.Nakahara
  • Journal Title: J.Phys.Chem.A 109 Pages: 3550-3557
• [Journal Article] Mechanisms and Kinetics of Noncatalytic Ether Reaction in Supercritical Water. 2. Proton-Transferred Fragmentation of Dimethyl Ether to Formaldehyde in Competition with Hydrolysis (2005)
  • Author(s): Y.Nagai, N.Matubayasi, M.Nakahara
  • Journal Title: J.Phys.Chem.A 109 Pages: 3558-3564
• [Journal Article] Hydrothermal Carbon-Carbon Bond Formation and Disproportionations of C1 Aldehydes : Formaldehyde and Formic Acid (2005)
  • Author(s): S.Morooka, C.Wakai, N.Matubayasi, M.Nakahara
  • Journal Title: J.Phys.Chem.A 109 Pages: 6610-6619
• [Journal Article] A novel quantum mechanical/molecular mechanical approach to the free energy calculation for isomerization of glycine in aqueous solution (2005)
  • Author(s): H.Takahashi, Y.Kawashima, T.Nitta, N.Matubayasi
  • Journal Title: J.Chem.Phys. 123 Pages: 124504-124504
• [Journal Article] A new high-temperature multinuclear-magnetic-resonance probe and the self-diffusion of light and heavy water in sub- and supercritical conditions (2005)
  • Author(s): K.Yoshida, C.Wakai, N.Matubayasi, M.Nakahara
  • Journal Title: J.Chem.Phys. 123 Pages: 164506-164506
• [Journal Article] Hydrothermal reactions of formaldehyde and formic acid : Free-energy analysis of equilibrium (2005)
  • Author(s): Matubayasi, N., Nakahara, M.
  • Journal Title: J.Chem.Phys. 122 Pages: 74509-74509
• [Journal Article] NMR Study on the Reorientational Relaxation in Supercritical Alcohols (2004)
  • Author(s): Yamaguchi, T., Matubayasi, N., Nakahara, M.
  • Journal Title: J.Phys.Chem. A 108 Pages: 1319-1324
• [Journal Article] Carbon-Carbon Bond Formation in Glycolic Acid Generated Spontaneously from Dichloromethane in Hot Water (2004)
  • Author(s): Wakai, C., Morooka, S., Matubayasi, N., Nakahara, M.
  • Journal Title: Chem.Lett. 33 Pages: 302-303
  • NAID: 10012723021
• [Journal Article] Synthesis of Dimethyl Ether from Supercritical Methanol in the Presence of Aluminum (2004)
  • Author(s): Usui, Y., Wakai, C., Matubayasi, N., Nakahara, M.
  • Journal Title: Chem.Lett. 33 Pages: 394-395
  • NAID: 10012846914
• [Journal Article] Side-Chain Conformational Thermodynamics of Aspartic Acid Residue in the Peptides and Achatin-I in Aqueous Solution (2004)
  • Author(s): Kimura, T., Matubayasi, N., Nakahara, M.
  • Journal Title: Biophysical J. 86 Pages: 1124-1137
• [Journal Article] Hot Water Induces an Acid-Catalyzed Reaction in Its Undissociated Form (2004)
  • Author(s): Nagai, Y., Matubayasi, N., Nakahara, M
  • Journal Title: Bull.Chem.Soc. Japan 77 Pages: 691-697
  • NAID: 10012848901
• [Journal Article] Effect of Concentration, Acid, Temperature, and Metal on Competitive Reaction Pathways for Decarbonylation and Decarboxylation of Formic Acid in Hot Water (2004)
  • Author(s): Wakai C., Yoshida, K., Tsujino, Y., Matubayasi, N., Nakahara, M.
  • Journal Title: Chem.Lett. 33 Pages: 572-573
  • NAID: 10012943734
• [Journal Article] Noncatalytic Disproportionation and Decarbonylation Reactions of Benzaldehyde in Supercritical Water (2004)
  • Author(s): Nagai, Y., Matubayasi, N., Nakahara, M
  • Journal Title: Chem.Lett. 33 Pages: 622-623
  • NAID: 10012944167
• [Journal Article] Acid-Catalyzed Hydrothermal Formation of Carbon-Carbon Bond in Glycolic Acid from a Series of Formaldehyde Producers (2004)
  • Author(s): Morooka, S., Wakai, C., Matubayasi, N., Nakahara, M
  • Journal Title: Chem.Lett. 33 Pages: 624-625
  • NAID: 10012944179
• [Journal Article] Noncatalytic kinetic study on site-selective H/D exchange reaction of phenol in sub- and supercritical water (2004)
  • Author(s): Kubo, M., Takizawa., Wakai, C., Matubayasi, N., Nakahara, M
  • Journal Title: J.Chem.Phys. 121 Pages: 960-969
• [Journal Article] NMR Study on the Binding of Neuropeptide Achatin-I to Phospholipid Bilayer : The Equilibrium, Location, and Peptide Conformation (2004)
  • Author(s): Kimura, T., Okamura, B., Matubayasi, N., Nakahara, M
  • Journal Title: Biophysical J. 87 Pages: 375-385
• [Journal Article] NMR Spectroscopic Evidence for an Intermediate of Formic Acid in the Water-Gas-Shift Reaction (2004)
  • Author(s): Yoshida, K., Wakai, C., Matubayasi, N., Nakahara, M.
  • Journal Title: J.Phys.Chem. A 108 Pages: 7479-7482
• [Journal Article] A quantum chemical approach to the free energy calculations in condensed systems : The QM/MM method combined with the theory of energy representation (2004)
  • Author(s): Takahashi, H., Matubayasi, N., Nakahara, M., Nitta, T
  • Journal Title: J.Chem.Phys. 121 Pages: 3989-3999
• [Journal Article] Mechanisms and kinetics of acetaldehyde reaction in supercritical water : Noncatalytic disproportionation, condensation, and decarbonylation (2004)
  • Author(s): Y.Nagai, S.Morooka, N.Matubayasi, M.Nakahara
  • Journal Title: J.Phys.Chem. A 108 Pages: 11635-11643
• [Journal Article] Limited slowdown of endocrine-disruptor diffusion in confined fluid lipid membranes (2004)
  • Author(s): E.Okamura, C.Wakai, N.Matubayasi, Y.Sugiura, M.Nakahara
  • Journal Title: Phys.Chem.Lett. 93 Pages: 248101-248101
• [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
• [Presentation] Elucidation of Protein-solvent-solute interactions via Free Energy Calculations (2008)
  • Author(s): Alastair Dewar, Seishi Shimizu, and Nobuyuki Matubayasi
  • Organizer: BIOMOLECULAR SIMULATION 2008: frontiers of biomolecular simulation
  • Place of Presentation: Bristol Zoo, UK
• [Presentation] Free-energy analysis of the solvent effect and interaction of functional molecules in solution (2008)
  • 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
• [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
• [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
• [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
• [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
• [Presentation] Free energy of solvation in the energetic perspective (2007)
  • 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
• [Presentation] Free energy of solvation in the energetic perspective (2007)
  • Author(s): Nobuyuki Matubayasi
  • Organizer: Multiscale Dynamics of Biomolecules 2007
  • Place of Presentation: Taipei, Taiwan
• [Presentation] Anion-field Effect on Rotational Dynamics of Water and Benzene in Ionic Liquids: 1-Butyl-3-methylimidazolium Chloride and Hexafluorophosphate (2007)
  • 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
• [Presentation] Free Energy of Solvation in the Energetic Perspective (2007)
  • Author(s): Nobuyuki Matubayasi
  • Organizer: ICCMSE (International Conference of Computational Methods in Sciences and Engineering) 2007
  • Place of Presentation: Corfu, Greece
• [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
• [Presentation] Solution Chemistry of Supercritical Water through Development of High-Temperature NMR Spectroscopy and Solution Theory (2007)
  • 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
• [Presentation] Free-Energy Analysis of Binding into Nanoscale Structures in Solution with the Method of Energy Representation (2007)
  • 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
• [Presentation] Hydrothermal C-C Bond Formation with Formic Acid from C2 to C3 Compounds: Lactic Acid from Acetaldehyde (2007)
  • 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
• [Presentation] Self-diffusion and rotation in supercritical water and benzene and their dependencies on the solvation shell state and lifetime (2007)
  • 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
• [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
• [Presentation] Comparative Free-Energy Analysis of Aromatic Compounds Solvated in Octanol and Water (2007)
  • 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
• [Presentation] NMR NOE study on vertical fluctuation and orientational relaxation of intermolecular correlation in lipid bilayer (2007)
  • 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
• [Presentation] Dynamics of Solvation of Water and Benzene in Imidazolium-Based and Pyrrolidinium-Based Ionic Liquids: The Effects of Local Electric Field (2007)
  • 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
• [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
• [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
• [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
• [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
• [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
• [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
• [Publications] Y.Nagai, C.Wakai, N.Matubayasi, M.Nakahara: "Noncatalytic Cannizzaro-type Reaction of Acetaldehyde in Supercritical Water"Chemistry Letters. 32. 310-311 (2003)
• [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)
• [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)
• [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)
• [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)
• [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)
• [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)
• [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)
• [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)
• [Publications] Y.Nagai, N.Matubayasi, M.Nakahara: "Noncatalytic Disproportionation and Decarbonylation Reactions of Benzaldehyde in Supercritical Water"Chemistry Letters. 33(in press). (2004)
• [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)
• [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)