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Matubayasi Nobuyuki  松林 伸幸

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… Alternative Names

MATUBAYASI Nobuyuki  松林 伸幸

松林 信幸  マツバヤシ ノブユキ

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Researcher Number 20281107
Other IDs
External Links
Affiliation (Current) 2020: 大阪大学, 基礎工学研究科, 教授
Affiliation (based on the past Project Information) *help 2014 – 2020: 大阪大学, 基礎工学研究科, 教授
2016: 大阪大学, 大学院基礎工学研究科, 教授
2006 – 2013: Kyoto University, 化学研究所, 准教授
2003 – 2006: 京都大学, 化学研究所, 助教授
1998 – 2002: 京都大学, 化学研究所, 助手
Review Section/Research Field
Principal Investigator
Physical chemistry / Science and Engineering / Complex systems / Bioinformatics/Life informatics / System genome science / Life / Health / Medical informatics / Biological physics/Chemical physics/Soft matter physics / Basic Section 62010:Life, health and medical informatics-related
Except Principal Investigator
Physical chemistry / Physical chemistry … More / Chemistry related to living body / Science and Engineering / Complex systems / Biological physics/Chemical physics/Soft matter physics Less
Keywords
Principal Investigator
分布関数 / エネルギー表示 / 自由エネルギー / 溶液理論 / 溶媒和 / 分子シミュレーション / 溶媒和自由エネルギー / 溶質-溶媒相互作用 / 水 / 計算機シミュレーション … More / 構造エネルギー / 化学ポテンシャル / 超臨界水 / 分子集合体 / 構造揺らぎ / タンパク質構造 / コンピュータシミュレーション / ゆらぎ / MDシミュレーション / 共溶媒 / 分子間相互作用 / 部分モル比熱 / 水和殻 / 積分方程式 / 疎水性水和 / エネルギーゆらぎ / 局所性 / 親水性水和 / 水素結合 / 計算枇シミュレーション / 計算機シュミレーション / ATP / 水和 / 加水分解 / F1タンパク質 / 水和・溶媒和 / 基質結合 / 脂質二重膜 / NOE / ペプチド / NMR / バイセル / 分子動力学シミュレーション / 曲率 / ナフタレン誘導体 / 脂質 / 二重膜 / ミセル / NOESY / 分配係数 / エネルギー / 相関解析 / 生体分子 / 液体論 / パスウェイ / 相関 / 生物物理 / 応用数学 / 計算物理 / 自己組織化 / 構造ゆらぎ / 変性 / 分布関数理論 / 静電相互作用 / 分散引力 / 排除体積項 / 共溶媒効果 / 尿素 / コンピュータシミュレーシ ョン / 排除体積効果 / 水溶液 / energy representation / distribution function / chemical potential / solvation free energy / solute-solvent interaction / computer simulation / hydrophobicity / supercritical fluid / 輸送係数 / 時間相関関数 / 空間分割 / 電気伝導度 / Green-Kubo式 / 粘度 / 緩和弾性率 / イオン対 / 年度 / 凝集 / 多変量解析 / 変分原理 … More
Except Principal Investigator
核磁気共鳴 / NMR / 超臨界水 / supercritical water / 拡散定数 / イオン液体 / 液体構造 / 化学力学変換 / 水和自由エネルギー / 水の並進エントロピー / タンパク質の水和 / 溶媒和 / 水のエントロピー / アクトミオシン / 亜臨界水 / 計算機シミュレーション / 無触媒反応 / エーテル / subcritical water / リン脂質二分子膜 / 熱揺らぎ / 膜輸送 / 内分泌撹乱物質 / 拡散 / イオンチャネル / 麻酔剤 / 膜 / NOESY / コレステロール / DPPC / DMPC / 分子シミュレーション / 緩和時間 / 曲率 / イオン透過 / ダイナミクス / 分子動力学計算 / 水和とＡＴＰ / 生命エネルギー / エネルギー変換 / 多体効果 / ハイパーモバイル水 / ATPエネルギー / ATP加水分解反応 / ATP駆動タンパク質 / 水和エントロピー / 自由エネルギー / 水和 / 加水分解自由エネルギー / 化学力学エネルギー変換 / F1ATPase / ABCトランスポーター / 水和自由エネルギー変化 / 並進エントロピー / ベンゼン / NOE / 水 / 化学シフト / NMR緩和 / 双極子モーメント / 解離プロトン / 回転ダイナミクス / 速度定数 / ギ酸 / 水素結合 / 水熱反応 / 水性ガスシフト反応 / ジクロロメタン / その場観察 / プロトンNMR / chemical shift / NMR relaxation / computer simulation / dipole moment / noncatalytic reactions / dissociated proton / 酸触媒反応 / カニッツァーロ反応 / 反応速度定数 / ラマン分光法 / noncatalytic reaction / NMR spectroscopy / hvdration / acid-catalyzed reaction / ether / Cannizzaro reaction / 高分解能NMR / イオン / 輸送現象 / 窒化アルミ / 高温高圧 / 電気伝導度 / 超臨海水 / diffusion / high-resolution NMR / ion / transport phenomena / ceramic / high-temperature and high-pressure / electric conductivity / actomyosin / ATP energy / hydration free energy / driving force / hydration control / water entropy / polymorphism / Ca ion control / 筋収縮機構 / 分子モーター / アクチンの構造多形 / タンパク質分子モーター / エントロピー駆動 / 水和制御 Less

  • Research Projects

    (19 results)

  • Research Products

    (1,196 results)

  • Co-Researchers

    (31 People)

  •  Exploring a Guideline for Inhibiting the Peptide Aggregation through All-Atom Analysis of Cosolvent EffectPrincipal InvestigatorOngoing

    • Principal Investigator
      松林 伸幸
    • Project Period (FY)
      2019 – 2021
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Review Section
      Basic Section 62010:Life, health and medical informatics-related
    • Research Institution
      Osaka University

  •  Driving myosin by polymorphism and hydration-state control of actin filaments

    • Principal Investigator
      Suzuki Makoto
    • Project Period (FY)
      2016
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Biological physics/Chemical physics/Soft matter physics
    • Research Institution
      Tohoku University

  •  Spatial-Decomposition Analysis of Transport CoefficientsPrincipal Investigator

    • Principal Investigator
      Matubayasi Nobuyuki
    • Project Period (FY)
      2015 – 2018
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      Biological physics/Chemical physics/Soft matter physics
    • Research Institution
      Osaka University

  •  All-Atom Analysis of Cosolvent Effect on Protein Structure through Free-Energy CalculationPrincipal Investigator

    • Principal Investigator
      Matubayasi Nobuyuki
    • Project Period (FY)
      2014 – 2017
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Life / Health / Medical informatics
    • Research Institution
      Osaka University

  •  Conversion of Interaction Energies of Protein Induced by Solvent WaterPrincipal Investigator

    • Principal Investigator
      MATUBAYASI Nobuyuki
    • Project Period (FY)
      2011 – 2014
    • Research Category
      Grant-in-Aid for Challenging Exploratory Research
    • Research Field
      System genome science
    • Research Institution
      Osaka University
      Kyoto University

  •  MD and NMR Analysis of Drug Distribution and Aggregationin Lipid BilayerPrincipal Investigator

    • Principal Investigator
      MATUBAYASI Nobuyuki
    • Project Period (FY)
      2009 – 2012
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Bioinformatics/Life informatics
    • Research Institution
      Kyoto University

  •  NMR及びMDシミュレーションによるイオン液体の液体構造と反応の解析

    • Principal Investigator
      若井 千尋
    • Project Period (FY)
      2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University

  •  溶液理論と分子シミュレーションの融合による機能性分子の膜結合の分子論的解析Principal Investigator

    • Principal Investigator
      松林 伸幸
    • Project Period (FY)
      2008
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University

  •  Organizing study of ATP energy research project

    • Principal Investigator
      SUZUKI Makoto
    • Project Period (FY)
      2008 – 2013
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Complex systems
    • Research Institution
      Tohoku University

  •  Free-Energy Analysis of ATP HydrolysisPrincipal Investigator

    • Principal Investigator
      MATUBAYASI Nobuyuki
    • Project Period (FY)
      2008 – 2012
    • Research Category
      Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
    • Review Section
      Complex systems
    • Research Institution
      Kyoto University

  •  NOE study on ionic salvation for water and benzene in ionic liquids

    • Principal Investigator
      WAKAI Chihiro
    • Project Period (FY)
      2008 – 2010
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyoto University

  •  Dynamic and Multinuclear NMR Studies of Molecular Transport and Distribution in Biomembrane

    • Principal Investigator
      NAKAHARA Masaru
    • Project Period (FY)
      2006 – 2008
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyoto University

  •  熱揺らぎに基づくリン脂質二分子膜中のイオンの輸送機構

    • Principal Investigator
      NAKAHARA Masaru
    • Project Period (FY)
      2004
    • Research Category
      Grant-in-Aid for Exploratory Research
    • Research Field
      Chemistry related to living body
    • Research Institution
      Kyoto University

  •  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Principal Investigator

    • Principal Investigator
      松林 伸幸
    • Project Period (FY)
      2003 – 2007
    • Research Category
      Grant-in-Aid for Scientific Research on Priority Areas
    • Review Section
      Science and Engineering
    • Research Institution
      Kyoto University

  •  Development of multinuclear, high-temperature, and diffusion NMR probe and dynamics of supercritical aqueous solutions

    • Principal Investigator
      NAKAHARA Masaru
    • Project Period (FY)
      2003 – 2005
    • Research Category
      Grant-in-Aid for Scientific Research (A)
    • Research Field
      Physical chemistry
    • Research Institution
      KYOTO UNIVERSITY

  •  Mechanisms of Noncatalytic Organic Chemical Reactions in Super- and Subcritical Water

    • Principal Investigator
      NAKAHARA Masaru
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research (B)
    • Research Field
      Physical chemistry
    • Research Institution
      KYOTO UNIVERSITY

  •  Mechanisms of Noncatalytic Organic Chemical Reactions in Super- and Subcritical WaterPrincipal Investigator

    • Principal Investigator
      MATUBAYASI Nobuyuki
    • Project Period (FY)
      2001 – 2002
    • Research Category
      Grant-in-Aid for Scientific Research (C)
    • Research Field
      Physical chemistry
    • Research Institution
      KYOTO UNIVERSITY

  •  疎水性水和および親水性水和における比熱の理論Principal Investigator

    • Principal Investigator
      松林 伸幸
    • Project Period (FY)
      1999 – 2000
    • Research Category
      Grant-in-Aid for Encouragement of Young Scientists (A)
    • Research Field
      Physical chemistry
    • Research Institution
      Kyoto University

  •  Aqueous Solution Chemistry at Supercritical Conditions

    • Principal Investigator
      NAKAHARA Masaru
    • Project Period (FY)
      1998 – 2000
    • Research Category
      Grant-in-Aid for Scientific Research (A).
    • Research Field
      Physical chemistry
    • Research Institution
      KYOTO UNIVERSITY

All 2020 2019 2018 2017 2016 2015 2014 2013 2012 2011 2010 2009 2008 2007 2006 2005 2004 2003 Other

All Journal Article Presentation Book Patent

  • [Book] ポストリチウムに向けた革新的二次電池の材料開発　第1章3節　MDシミュレーションと空間分割表式による電気伝導度の全原子解析2018
    • Author(s)
      松林 伸幸（境 哲男監修）
    • Total Pages
      344
    • Publisher
      エヌ・ティー・エス
    • ISBN
      9784860435233
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Book] The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery, Chapter 16: Novel Intermolecular Surface Force Unveils the Driving Force of the Actomyosin System2018
    • Author(s)
      Makoto Suzuki, George Mogami, Takahiro Watanabe, Nobuyuki Matubayasi
    • Total Pages
      353
    • Publisher
      Springer Nature Singapore Pte Ltd.
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Book] The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery, Chapter 3: Spatial Distribution of Ionic Hydration Energy and Hyper-Mobile Water2018
    • Author(s)
      George Mogami, Makoto Suzuki, Nobuyuki Matubayasi
    • Total Pages
      353
    • Publisher
      Springer Nature Singapore Pte Ltd.
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Book] The Role of Water in ATP Hydrolysis Energy Transduction by Protein Machinery, Chapter 10: All-Atom Analysis of Free Energy of Protein Solvation Through Molecular Simulation and Solution Theory2018
    • Author(s)
      Nobuyuki Matubayasi
    • Total Pages
      353
    • Publisher
      Springer Nature Singapore Pte Ltd.
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Book] ポストリチウムに向けた革新的二次電池の材料開発　第1章3節　MDシミュレーションと空間分割表式による電気伝導度の全原子解析2018
    • Author(s)
      松林 伸幸（境 哲男監修）
    • Total Pages
      344
    • Publisher
      エヌ・ティー・エス
    • ISBN
      9784860435233
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Book] Development of a Massively Parallel QM/MM Approach Combined with a Theory of Solutions2015
    • Author(s)
      H. Takahashi and N. Matubayasi
    • Total Pages
      43
    • Publisher
      Quantum Modeling of Complex Molecular Systems
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Book] Development of a Massively Parallel QM/MM Approach Combined with a Theory of Solutions2015
    • Author(s)
      H. Takahashi and N. Matubayasi
    • Total Pages
      43
    • Publisher
      Quantum Modeling of Complex Molecular Systems
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Book] 超臨界水と脂質膜, 巨大分子系の計算化学 超大型計算機時代の理論化学の新展開11章,CSJカレントレビュー2012
    • Author(s)
      松林 伸幸
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Book] 巨大分子系の計算化学 超大型計算機時代の理論化学の新展開 11章 超臨界水と脂質膜2012
    • Author(s)
      松林 伸幸
    • Total Pages
      201
    • Publisher
      化学同人
    • Data Source
      KAKENHI-PROJECT-23651202

  • [Book] 超臨界水と脂質膜,巨大分子系の計算化学超大型計算機時代の理論化学の新展開11章2012
    • Author(s)
      松林伸幸
    • Publisher
      CSJカレントレビュー, 化学同人
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Book] 巨大分子系の計算化学超大型計算機時代の理論化学の新展開11章超臨界水と脂質膜2012
    • Author(s)
      松林伸幸
    • Total Pages
      201
    • Publisher
      化学同人
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Book] Advances in Quantum Chemistry(Development of a Quantum Chemical Method Combined with a Theory of Solutions-Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations)2010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Book] Advances in Quantum Chemistry(Development of a Quantum Chemical Method Combined with a Theory of Solutions-Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations)(vol 59)2010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Publisher
      Academic Press
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Book] Development of a Quantum Chemical Method Combined with a Theory of Solutions -- Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations,Advances in Quantum Chemistry, vol 592010
    • Author(s)
      H. Takahashi, N. Matubayasi, and M. Nakano
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Book] Advances in QuantumChemistry, vol592010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakan
    • Publisher
      Development of a Quantum ChemicalMethod Combined with a Theory ofSolutions -- Free-Energy Calculation forChemical Reactions by Condensed PhaseSimulations
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Book] Advances in Quantum Chemistry2010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Total Pages
      68
    • Publisher
      Development of a Quantum Chemical Method Combined with a Theory of Solutions--Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Book] Development of a Quantum Chemical Method Combined with a Theory of Solutions - Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations2010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Total Pages
      68
    • Publisher
      Advances in Quantum Chemistry
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Book] Development of a Quantum ChemicalMethod Combined with a Theory of Solutions--Free-Energy Calculation fbr ChemicalReactions by Condensed Phase Simulations2010
    • Author(s)
      H. Takahashi, N. MatUbayasi, and M. Nakano
    • Publisher
      Advances in Quantum Chemistry, vol 59
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Book] 熱測定(ISSN: 0386-2615), 36 (3)2009
    • Author(s)
      松林伸幸
    • Publisher
      エネルギー表示法による溶媒和の自由エネルギー解析
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Book] Frontiers in Bioscience 142009
    • Author(s)
      N.Matubayasi
    • Publisher
      Free-Energy Analysis ofSolvation with the Method of EnergyRepresentation
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Book] Frontiers in Bioscience(Free-Energy Analysis of Solvation with the Method of Energy Representation)(14)2009
    • Author(s)
      N.Matubayasi
    • Publisher
      Frontiers in Bioscience, Inc.
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Book] 高圧力の科学と技術 広い密度・圧力領域における超臨界流体に対する精密密度測定の新しい方法2006
    • Author(s)
      吉田 健, 松林 伸幸, 中原 勝
    • Total Pages
      2
    • Publisher
      日本高圧力学会
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [Book] Proceedings of the 14^<th> International Conference of Water and Steam "Water, Steam, and Aqueous Solutions"2005
    • Author(s)
      Edited by M.Nakahara, N.Matubayasi, K.Yasuoka, K.Watanabe
    • Total Pages
      770
    • Publisher
      Maruzen
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [Book] Physicochemistry of Water in Geological and Biological System Structure, Dynamics, and Reactions of Supercritical Water2004
    • Author(s)
      M.Nakahara, N.Matubayasi
    • Total Pages
      281
    • Publisher
      Universal Academy Press
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Chain-Increment Method for Free-Energy Computation of a Polymer with All-Atom Molecular Simulations2020
    • Author(s)
      Yamada Kazuo、Matubayasi Nobuyuki
    • Journal Title

      Macromolecules

      Volume: 53 Pages: 775-788

    • DOI

      10.1021/acs.macromol.9b01952

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Journal Article] Self-Consistent Scheme Combining MD and Order-N DFT Methods: An Improved Set of Nonpolarizable Force Fields for Ionic Liquids2020
    • Author(s)
      Ishii Yoshiki、Matubayasi Nobuyuki
    • Journal Title

      Journal of Chemical Theory and Computation

      Volume: 16 Pages: 651-665

    • DOI

      10.1021/acs.jctc.9b00793

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19H04206, KAKENHI-PROJECT-17J01006

  • [Journal Article] Statistical thermodynamics of regular solutions and solubility parameters2019
    • Author(s)
      Shimizu Seishi、Matubayasi Nobuyuki
    • Journal Title

      Journal of Molecular Liquids

      Volume: 273 Pages: 626-633

    • DOI

      10.1016/j.molliq.2018.10.024

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Journal Article] Local viscoelasticity at resin-metal interface analyzed with spatial-decomposition formula for relaxation modulus2019
    • Author(s)
      Mori Hodaka、Matubayasi Nobuyuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 151 Pages: 114904-114904

    • DOI

      10.1063/1.5109599

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Journal Article] Spatially-Decomposed Free Energy of Solvation Based on the Endpoint Density-Functional Method2019
    • Author(s)
      Ishii Yoshiki、Yamamoto Naoki、Matubayasi Nobuyuki、Zhang Bin W.、Cui Di、Levy Ronald M.
    • Journal Title

      Journal of Chemical Theory and Computation

      Volume: 15 Pages: 2896-2912

    • DOI

      10.1021/acs.jctc.8b01309

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-19H04206, KAKENHI-PROJECT-17J01006

  • [Journal Article] Energy-Representation Theory of Solutions: Its Formulation and Application to Soft, Molecular Aggregates2019
    • Author(s)
      Matubayasi Nobuyuki
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 92 Issue: 11 Pages: 1910-1927

    • DOI

      10.1246/bcsj.20190246

    • ISSN
      0009-2673, 1348-0634
    • Language
      English
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Journal Article] Spatial‐Decomposition Analysis of Electrical Conductivity2019
    • Author(s)
      Matubayasi Nobuyuki
    • Journal Title

      The Chemical Record

      Volume: 19 Pages: 723-734

    • DOI

      10.1002/tcr.201800116

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-19H04206

  • [Journal Article] Diffusion dynamics of supercooled water modeled with the cage-jump motion and hydrogen-bond rearrangement2019
    • Author(s)
      Kikutsuji Takuma、Kim Kang、Matubayasi Nobuyuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 150 Pages: 204502-204502

    • DOI

      10.1063/1.5095978

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01188, KAKENHI-PROJECT-19H04206

  • [Journal Article] The mechanism of salt effects on starch gelatinization from a statistical thermodynamic perspective2019
    • Author(s)
      Nicol Thomas W.J.、Isobe Noriyuki、Clark James H.、Matubayasi Nobuyuki、Shimizu Seishi
    • Journal Title

      Food Hydrocolloids

      Volume: 87 Pages: 593-601

    • DOI

      10.1016/j.foodhyd.2018.08.042

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-18K18188, KAKENHI-PROJECT-15K13550

  • [Journal Article] Bridging the gap between molecular dynamics and hydrodynamics in nanoscale Brownian motions2019
    • Author(s)
      Mizuta Keisuke、Ishii Yoshiki、Kim Kang、Matubayasi Nobuyuki
    • Journal Title

      Soft Matter

      Volume: 15 Pages: 4380-4390

    • DOI

      10.1039/c9sm00246d

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01188, KAKENHI-PROJECT-19H04206, KAKENHI-PROJECT-17J01006

  • [Journal Article] Energetics of cosolvent effect on peptide aggregation2019
    • Author(s)
      Matubayasi Nobuyuki、Masutani Keiichi
    • Journal Title

      BIOPHYSICS

      Volume: 16 Issue: 0 Pages: 185-195

    • DOI

      10.2142/biophysico.16.0_185

    • ISSN
      2189-4779
    • Language
      English
    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Journal Article] Consistency of geometrical definitions of hydrogen bonds based on the two-dimensional potential of mean force with respect to the time correlation in liquid water over a wide range of temperatures2019
    • Author(s)
      Kikutsuji Takuma、Kim Kang、Matubayasi Nobuyuki
    • Journal Title

      Journal of Molecular Liquids

      Volume: 294 Pages: 111603-111603

    • DOI

      10.1016/j.molliq.2019.111603

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18H01188, KAKENHI-PROJECT-19H04206

  • [Journal Article] Boson peak, elasticity, and glass transition temperature in polymer glasses: Effects of rigidity of chain bending2019
    • Author(s)
      Tomoshige Naoya、Mizuno Hideyuki、Mori Tatsuya、Kim Kang、Matubayasi Nobuyuki
    • Journal Title

      Sci. Rep.

      Volume: 9 Pages: 19514-19514

    • DOI

      10.1038/s41598-019-55564-2

    • Peer Reviewed / Open Access
    • Data Source
      KAKENHI-PROJECT-19K14670, KAKENHI-PUBLICLY-18H04476, KAKENHI-PROJECT-18H01188, KAKENHI-PROJECT-19H04206

  • [Journal Article] A Molecular Thermodynamics Approach to Capture Non-specific Flavour-Macromolecule Interactions2019
    • Author(s)
      Shimizu Seishi、Abbott Steven、Matubayasi Nobuyuki
    • Journal Title

      Encyclopedia of Food Chemistry

      Volume: 2 Pages: 522-527

    • DOI

      10.1016/b978-0-08-100596-5.22424-4

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Journal Article] Free-energy analysis of the hydration and cosolvent effects on the β-sheet aggregation through all-atom molecular dynamics simulation2019
    • Author(s)
      Masutani Keiichi、Yamamori Yu、Kim Kang、Matubayasi Nobuyuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 150 Pages: 145101-145101

    • DOI

      10.1063/1.5088395

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-18H01188, KAKENHI-PROJECT-19H04206

  • [Journal Article] MD simulation analysis of resin filling into nano-sized pore formed on metal surface2018
    • Author(s)
      Mori Hodaka、Matubayasi Nobuyuki
    • Journal Title

      Appl. Surf. Sci.

      Volume: 427 Pages: 1084-1091

    • DOI

      10.1016/j.apsusc.2017.08.123

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] How do hydrogen bonds break in supercooled water?: Detecting pathways not going through saddle point of two-dimensional potential of mean force2018
    • Author(s)
      Kikutsuji Takuma、Kim Kang、Matubayasi Nobuyuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 148 Pages: 244501-244501

    • DOI

      10.1063/1.5033419

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-18H01188

  • [Journal Article] Free-energy analysis of physisorption on solid-liquid interface with the solution theory in the energy representation2018
    • Author(s)
      Yamamoto Naoki、Nakakuki Ippei、Matubayasi Nobuyuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 149 Pages: 014504-014504

    • DOI

      10.1063/1.5027861

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Journal Article] Statistical thermodynamic foundation for mesoscale aggregation in ternary mixtures2018
    • Author(s)
      Shimizu Seishi、Matubayasi Nobuyuki
    • Journal Title

      Physical Chemistry Chemical Physics

      Volume: 20 Pages: 13777-13784

    • DOI

      10.1039/c8cp01207e

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Journal Article] Free-Energy Analysis of Peptide Binding in Lipid Membrane Using All-Atom Molecular Dynamics Simulation Combined with Theory of Solutions2018
    • Author(s)
      Mizuguchi Tomoko、Matubayasi Nobuyuki
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 122 Pages: 3219-3229

    • DOI

      10.1021/acs.jpcb.7b08241

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-15K05244

  • [Journal Article] Probabilistic analysis for identifying the driving force of protein folding2018
    • Author(s)
      Yoshihiko Tokunaga、Yu Yamamori、Nobuyuki Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 148 Pages: 125101-125101

    • DOI

      10.1063/1.5019410

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] A unified perspective on preferential solvation and adsorption based on inhomogeneous solvation theory2018
    • Author(s)
      Shimizu Seishi、Matubayasi Nobuyuki
    • Journal Title

      Physica A

      Volume: 492 Pages: 1988-1996

    • DOI

      10.1016/j.physa.2017.11.113

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Ion hydration: linking self-diffusion and reorientational motion to water structure2018
    • Author(s)
      Shimizu Seishi、Matubayasi Nobuyuki
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 20 Pages: 5909-5917

    • DOI

      10.1039/c7cp07309g

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] The Excess Chemical Potential of Water at the Interface with a Protein from End Point Simulations2018
    • Author(s)
      Bin W. Zhang、Di Cui、Nobuyuki Matubayasi、Ronald M. Levy
    • Journal Title

      J. Phys. Chem. B

      Volume: 122

    • DOI

      10.1021/acs.jpcb.8b02666

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Binding free energy analysis of protein-protein docking model structures by evERdock2018
    • Author(s)
      Takemura Kazuhiro、Matubayasi Nobuyuki、Kitao Akio
    • Journal Title

      The Journal of Chemical Physics

      Volume: 148 Pages: 105101-105101

    • DOI

      10.1063/1.5019864

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PLANNED-25104002, KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-15H04357

  • [Journal Article] The Role of Interfacial Water in Protein?Ligand Binding: Insights from the Indirect Solvent Mediated Potential of Mean Force2018
    • Author(s)
      Cui Di、Zhang Bin W.、Matubayasi Nobuyuki、Levy Ronald M.
    • Journal Title

      J. Chem. Theory Comput.

      Volume: 14 Pages: 512-526

    • DOI

      10.1021/acs.jctc.7b01076

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Structure and Dynamics of the Hydration Shell: Spatially Decomposed Time Correlation Approach2018
    • Author(s)
      Pluharova Eva、Jungwirth Pavel、Matubayasi Nobuyuki、Marsalek Ondrej
    • Journal Title

      Journal of Chemical Theory and Computation

      Volume: 15 Pages: 803-812

    • DOI

      10.1021/acs.jctc.8b00111

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Journal Article] Refining evERdock: Improved selection of good protein-protein complex models achieved by MD optimization and use of multiple conformations2018
    • Author(s)
      Shinobu Ai、Takemura Kazuhiro、Matubayasi Nobuyuki、Kitao Akio
    • Journal Title

      The Journal of Chemical Physics

      Volume: 149 Pages: 195101-195101

    • DOI

      10.1063/1.5055799

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15H04357, KAKENHI-PROJECT-15K13550

  • [Journal Article] Structure and permeability of ionomers studied by atomistic molecular simulation combined with the theory of solutions in the energy representation2018
    • Author(s)
      Kawakami Tomonori、Shigemoto Isamu、Matubayasi Nobuyuki
    • Journal Title

      The Journal of Chemical Physics

      Volume: 148 Pages: 214903-214903

    • DOI

      10.1063/1.5018884

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Journal Article] Resin filling into nano-sized pore on metal surface analyzed by all-atom molecular dynamics simulation over a variety of resin and pore sizes2018
    • Author(s)
      Mori Hodaka、Matubayasi Nobuyuki
    • Journal Title

      Polymer

      Volume: 150 Pages: 360-370

    • DOI

      10.1016/j.polymer.2018.06.052

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Journal Article] Spatial-decomposition analysis of viscosity with application to Lennard-Jones fluid2018
    • Author(s)
      Tu Kai-Min、Kim Kang、Matubayasi Nobuyuki
    • Journal Title

      J. Chem. Phys.

      Volume: 148 Pages: 094501-094501

    • DOI

      10.1063/1.5018483

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points2017
    • Author(s)
      Robert C. Harris, Nanjie Deng, Ronald M. Levy, Ryosuke Ishizuka, Nobuyuki Matubayasi
    • Journal Title

      J. Comput. Chem.

      Volume: 37 Pages: 1198-1208

    • DOI

      10.1002/jcc.24668

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Physical driving force of actomyosin motility based on the hydration effect2017
    • Author(s)
      Suzuki Makoto、Mogami George、Ohsugi Hideyuki、Watanabe Takahiro、Matubayasi Nobuyuki
    • Journal Title

      Cytoskeleton

      Volume: 74 Pages: 512-527

    • DOI

      10.1002/cm.21417

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Hydrotropy and scattering: pre-ouzo as an extended near-spinodal region2017
    • Author(s)
      Shimizu Seishi、Matubayasi Nobuyuki
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 19 Pages: 26734-26742

    • DOI

      10.1039/c7cp04990k

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Unifying hydrotropy under Gibbs phase rule2017
    • Author(s)
      Shimizu Seishi、Matubayasi Nobuyuki
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 19 Pages: 23597-23605

    • DOI

      10.1039/c7cp02132a

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Gastrophysics: Statistical thermodynamics of biomolecular denaturation and gelation from the Kirkwood-Buff theory towards the understanding of tofu2017
    • Author(s)
      Shimizu Seishi、Stenner Richard、Matubayasi Nobuyuki
    • Journal Title

      Food Hydrocolloids

      Volume: 62 Pages: 128-139

    • DOI

      10.1016/j.foodhyd.2016.07.022

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Relationship between Solvation Thermodynamics from IST and DFT Perspectives2017
    • Author(s)
      Levy Ronald M.、Cui Di、Zhang Bin W.、Matubayasi Nobuyuki
    • Journal Title

      J. Phys. Chem. B

      Volume: 121 Pages: 3825-3841

    • DOI

      10.1021/acs.jpcb.6b12889

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Energetic Analysis of Adsorption and Absorption of Small Molecule to Nanodroplet of Water2017
    • Author(s)
      Sayou Minoru、Ishizuka Ryosuke、Matubayasi Nobuyuki
    • Journal Title

      J. Phys. Chem. B

      Volume: 121 Pages: 5995-6001

    • DOI

      10.1021/acs.jpcb.7b01554

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Osmolyte depletion viewed in terms of the dividing membrane and its work of expansion against osmotic pressure2017
    • Author(s)
      Shimizu Seishi、Matubayasi Nobuyuki
    • Journal Title

      Biophysical Chemistry

      Volume: 231 Pages: 111-115

    • DOI

      10.1016/j.bpc.2017.02.003

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Free-energy analysis of protein solvation with all-atom molecular dynamics simulation combined with a theory of solutions2017
    • Author(s)
      Matubayasi Nobuyuki
    • Journal Title

      Current Opinion in Structural Biology

      Volume: 43 Pages: 45-54

    • DOI

      10.1016/j.sbi.2016.10.005

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Water activity in liquid food systems: A molecular scale interpretation2017
    • Author(s)
      Maneffa Andrew J.、Stenner Richard、Matharu Avtar S.、Clark James H.、Matubayasi Nobuyuki、Shimizu Seishi
    • Journal Title

      Food Chemistry

      Volume: 237 Pages: 1133-1138

    • DOI

      10.1016/j.foodchem.2017.06.046

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Interaction-component analysis of the effects of urea and its alkylated derivatives on the structure of T4-lysozyme2017
    • Author(s)
      Yamamori Yu、Matubayasi Nobuyuki
    • Journal Title

      J. Chem. Phys.

      Volume: 146 Pages: 225103-225103

    • DOI

      10.1063/1.4985222

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Effective charges of ionic liquid determined self-consistently through combination of molecular dynamics simulation and density-functional theory2017
    • Author(s)
      Ishizuka Ryosuke、Matubayasi Nobuyuki
    • Journal Title

      J. Comput. Chem.

      Volume: 38 Pages: 2559-2569

    • DOI

      10.1002/jcc.24880

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Quantifying non-specific interactions between flavour and food biomolecules2017
    • Author(s)
      Shimizu Seishi、Abbott Steven、Matubayasi Nobuyuki
    • Journal Title

      Food Funct.

      Volume: 8 Pages: 2999-3009

    • DOI

      10.1039/c7fo00313g

    • Peer Reviewed / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Pseudomonas aeruginosa cytochrome c551 denaturation by five systematic urea derivatives that differ in the alkyl chain length2017
    • Author(s)
      78.Kobayashi, S., Fujii, S., Koga, A., Wakai, S.,Matubayasi, N., Sambongi, Y
    • Journal Title

      Bioscience, Biotechnology, and Biochemistry

      Volume: 81 Pages: 1274-1278

    • DOI

      10.1080/09168451.2017.1303361

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-16K07692, KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Drastic Compensation of Electronic and Solvation Effects on ATP Hydrolysis Revealed through Large-Scale QM/MM Simulations Combined with a Theory of Solutions2017
    • Author(s)
      Hideaki Takahashi, Satoru Umino, Yuuji Miki, Ryosuke Ishizuka, Akihiro Morita, Makoto Suzuki, and Nobuyuki Matubayasi
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 121 Pages: 2279-2287

    • DOI

      10.1021/acs.jpcb.7b00637

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PLANNED-25104003, KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-26288003, KAKENHI-PROJECT-16K13860, KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-17K05138

  • [Journal Article] Self-Consistent Determination of Atomic Charges of Ionic Liquid through a Combination of Molecular Dynamics Simulation and Density Functional Theory2016
    • Author(s)
      R. Ishizuka and N. Matubayasi
    • Journal Title

      J. Chem. Theory Comput.

      Volume: 12 Pages: 804-811

    • DOI

      10.1021/acs.jctc.5b00885

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Spatial-Decomposition Analysis of Energetics of Ionic Hydration2016
    • Author(s)
      George Mogami, Makoto Suzuki, and Nobuyuki Matubayasi
    • Journal Title

      J. Phys. Chem. B

      Volume: 120 Pages: 1813-1821

    • DOI

      10.1021/acs.jpcb.5b09481

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-16K13860, KAKENHI-PROJECT-15K13550

  • [Journal Article] Origin of nonlinearity in phase solubility: solubilisation by cyclodextrin beyond stoichiometric complexation2016
    • Author(s)
      Thomas W. J. Nicol, Nobuyuki Matubayasi, Seishi Shimizu
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 18 Pages: 15205-15217

    • DOI

      10.1039/c6cp01582d

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-15K13550

  • [Journal Article] Interaction-component analysis of the hydration and urea effects on cytochrome c2016
    • Author(s)
      Y. Yamamori, R. Ishizuka, Y. Karino, S. Sakuraba, and N. Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 144 Pages: 085102-15

    • DOI

      10.1063/1.4941945

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Energetics of nonpolar and polar compounds in cationic, anionic, and nonionic micelles studied by all-atom molecular dynamics simulation combined with a theory of solutions2016
    • Author(s)
      Atsushi Date, Ryosuke Ishizuka, Nobuyuki Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 18 Pages: 13223-13231

    • DOI

      10.1039/c6cp01834c

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-15K13550

  • [Journal Article] The origin of cooperative solubilisation by hydrotropes2016
    • Author(s)
      Seishi Shimizu, Nobuyuki Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 18 Pages: 25621-25628

    • DOI

      10.1039/c6cp04823d

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-15K13550

  • [Journal Article] Gelation of carrageenan: Effects of sugars and polyols2016
    • Author(s)
      R. Stenner, N. Matubayasi, and S. Shimizu
    • Journal Title

      Food Hydrocolloids

      Volume: 54 Pages: 284-292

    • DOI

      10.1016/j.foodhyd.2015.10.007

    • Peer Reviewed / Acknowledgement Compliant / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Morphology study of DMPC/DHPC mixtures by solution-state 1H, 31P NMR, and NOE measurements2016
    • Author(s)
      Megumi Shintani, Nobuyuki Matubayasi
    • Journal Title

      J. Mol. Liq.

      Volume: 217 Pages: 62-69

    • DOI

      10.1016/j.molliq.2015.10.003

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-15K13550

  • [Journal Article] Correlation analysis for heat denaturation of Trp-cage miniprotein with explicit solvent2016
    • Author(s)
      F. Kamo, R. Ishizuka, and N. Matubayasi
    • Journal Title

      Protein Sci.

      Volume: 25 Pages: 56-66

    • DOI

      10.1002/pro.2754

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045

  • [Journal Article] Effect of diffuseness of micelle boundary on the solute distribution upon solubilization2015
    • Author(s)
      Tomoko Mizuguchi, Ryosuke Ishizuka, Nobuyuki Matubayasi
    • Journal Title

      Chem. Phys. Lett.

      Volume: 624 Pages: 19-23

    • DOI

      10.1016/j.cplett.2015.02.001

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] Energetic Contributions from the Cation and Anion to the Stability of Carbon Dioxide Dissolved in Imidazolium-Based Ionic Liquids2015
    • Author(s)
      Ryosuke Ishizuka, Nobuyuki Matubayasi, Kai-Min Tu, Yasuhiro Umebayashi
    • Journal Title

      J. Phys. Chem. B

      Volume: 119 Pages: 1579-1587

    • DOI

      10.1021/jp5101957

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] An Accurate and Efficient Computation Method of the Hydration Free Energy of a Large, Complex Molecule2015
    • Author(s)
      T. Yoshidome, T. Ekimoto, N. Matubayasi, Y. Harano, M. Kinoshita, and M. Ikeguchi
    • Journal Title

      Journal of Chemical Physics

      Volume: 142 Pages: 175101-11

    • DOI

      10.1063/1.4919636

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-15K13550, KAKENHI-PROJECT-26240045, KAKENHI-PROJECT-25291035, KAKENHI-PROJECT-25291036

  • [Journal Article] Finite-size effect on the charging free energy of protein in explicit solvent.2015
    • Author(s)
      Toru Ekimoto, Nobuyuki Matubayasi, Mitsunori Ikeguchi
    • Journal Title

      J. Chem. Theory Comput.

      Volume: 11 Pages: 215-223

    • DOI

      10.1021/ct5008394

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-25291036, KAKENHI-PROJECT-26240045

  • [Journal Article] Preferential Solvation: Dividing Surface vs Excess Numbers2014
    • Author(s)
      S. Shimizu and N. Matubayasi
    • Journal Title

      J. Phys. Chem. B

      Volume: 119 Pages: 3922-3930

    • DOI

      10.1021/jp410567c

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] Hydrotropy: Monomer－Micelle Equilibrium and Minimum Hydrotrope Concentration2014
    • Author(s)
      Seishi Shimizu, Nobuyuki Matubayasi
    • Journal Title

      J. Phys. Chem. B

      Volume: 118 Pages: 10515-10524

    • DOI

      10.1021/jp505869m

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] Spatial-decomposition analysis of electrical conductivity in ionic liquid2014
    • Author(s)
      Kai-Min Tu , Ryosuke Ishizuka, Nobuyuki Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 141 Pages: 244507-244507

    • DOI

      10.1063/1.4904382

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] ERmod: Fast and Versatile Computation Software for Solvation Free Energy with Approximate Theory of Solutions2014
    • Author(s)
      Shun Sakuraba, Nobuyuki Matubayasi
    • Journal Title

      J. Comput. Chem

      Volume: 35 Pages: 1592-1608

    • DOI

      10.1002/jcc.23651

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] Spatial-decomposition analysis of electrical conductivity in concentrated electrolyte solution2014
    • Author(s)
      Kai-Min Tu , Ryosuke Ishizuka, Nobuyuki Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 141 Pages: 044126-044126

    • DOI

      10.1063/1.4890741

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] Gelation: The Role of Sugars and Polyols on Gelatin and Agarose2014
    • Author(s)
      Seishi Shimizu, Nobuyuki Matubayasi
    • Journal Title

      J. Phys. Chem. B

      Volume: 118 Pages: 13210-13216

    • DOI

      10.1021/jp509099h

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] Hydrogen-bond-assisted isotactic-specific radical polymerization of N-vinyl-2-pyrrolidone with tartrate additives in toluene at low temperatures: high-resolution 1H NMR analysis2014
    • Author(s)
      Ken Yoshida, Nobuyuki Matubayasi, Yasuhiro Uosaki, Masaru Nakahara
    • Journal Title

      RSC Advances

      Volume: 43 Pages: 1499-1508

    • DOI

      10.1007/s10953-014-0220-1

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-25410019, KAKENHI-PROJECT-26240045

  • [Journal Article] Comparative Study on the Properties of Hydration Water of Na- and K- Halide Ions by Raman OH/OD-stretching Spectroscopy and Dielectric Relaxation Data2014
    • Author(s)
      Yuichiro Okazaki, Tetsuo Taniuchi, George Mogami, Nobuyuki Matubayasi and Makoto Suzuki
    • Journal Title

      J. Phys. Chem. A

      Volume: 118 Pages: 2922-2930

    • DOI

      10.1021/jp412804d

    • Peer Reviewed / Acknowledgement Compliant
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PROJECT-23310071, KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-26240045

  • [Journal Article] Hydration Structure of CO2-Absorbed 2-Aminoethanol Studied by Neutron Diffraction with the 14N/15N Isotopic Substitution Method2014
    • Author(s)
      Y. Kameda, H. Deguchi, H. Furukawa, Y. Kubota, Y. Yagi, Y. Imai, N. Yamazaki, N. Watari, T. Hirata, and N. Matubayasi
    • Journal Title

      J. Phys. Chem. B

      Volume: 118 Pages: 1403-1410

    • DOI

      10.1021/jp411780d

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PROJECT-23651202

  • [Journal Article] Solvent Effect on Pathways and Mechanisms for D-Fructose Conversion to 5-Hydroxymethyl-2- furaldehyde: In Situ 13C NMR Study2013
    • Author(s)
      H. Kimura, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Phys.Chem. A

      Volume: 117 Pages: 2102-2113

    • DOI

      10.1021/jp312002h

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Free-energy analysis of lysozyme-triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation2013
    • Author(s)
      K. Takemura, R. R. Burri, T. Ishikawa, T. Ishikura, S. Sakuraba, N. Matubayasi, K. Kuwata, and A. Kitao
    • Journal Title

      Chem. Phys. Left

      Volume: 559 Pages: 94-98

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Interaction-component analysis of the urea effect on amino acid analogs Solvent2013
    • Author(s)
      Y. Karino and N. Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 15 Pages: 4377-4391

    • DOI

      10.1039/c3cp43346c

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Effect of heavy hydrogen isotopes on the vibrational line shape for supercritical water through rotational couplings2013
    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Phys.

      Volume: 138 Pages: 134508-134508

    • DOI

      10.1063/1.4798933

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-25410019, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Molecular Dynamics Simulations of Yeast F1-ATPase Before and After 16-Degree Rotation of the γ Subunit.2013
    • Author(s)
      Yuko Ito, Takashi Yoshidome, Nobuyuki Matubayashi, Masahiro Kinoshita, Mitsunori Ikeguchi
    • Journal Title

      Journal of Physical Chemistry B

      Volume: 117 Pages: 298-3307

    • DOI

      10.1021/jp312499u

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J07915, KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-22300100, KAKENHI-PROJECT-22300102, KAKENHI-PROJECT-23651202, KAKENHI-PLANNED-20118004, KAKENHI-PUBLICLY-23118713

  • [Journal Article] Interaction-component analysis of the urea effect on amino acid analogs2013
    • Author(s)
      Y. Karino and N. Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: 15 Pages: 4377-4391

    • NAID

      120005466636

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method.2013
    • Author(s)
      T. Ishikawa, R. R. Burri, Y. O. Kamatari, S. Sakuraba, N. Matubayasi, A. Kitao, and K. Kuwata
    • Journal Title

      Phys Chem Chem Phys

      Volume: 15 Pages: 3646-3654

    • DOI

      10.1039/c3cp42761g

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23370066, KAKENHI-PROJECT-23370068, KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-24570180, KAKENHI-ORGANIZER-20118001, KAKENHI-PUBLICLY-23107705

  • [Journal Article] A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method2013
    • Author(s)
      T. Ishikawa, R. R. Burri, Y.O. Kamatari, S. Sakuraba, N. Matubayasi, A. Kitao, and K. Kuwata
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: 15 Pages: 3646-3654

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Solvent Effect on Pathways and Mechanisms for D-Fructose Conversion to 5-Hydroxymethyl-2-furaldehyde : In Situ ^<13>C NMR Study2013
    • Author(s)
      H. Kimura, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 117 Pages: 2102-2113

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Anion-dependence of fast relaxation component in Na-, K-halide solutions at low concentrations measured by high-resolution microwave dielectric spectroscopy.2013
    • Author(s)
      George Mogami, Takashi Miyazaki, Tetsuichi Wazawa, Nobuyuki Matubayasi, and Makoto Suzuki
    • Journal Title

      J. Phys. Chem. A.

      Volume: 117 Pages: 4851-4862

    • DOI

      10.1021/jp4012119

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PLANNED-20118008, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23310071, KAKENHI-PROJECT-23651202, KAKENHI-PROJECT-24570178

  • [Journal Article] Free-energy analysis of lysozyme&#8211;triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation2013
    • Author(s)
      K. Takemura, R. R. Burri, T. Ishikawa, T. Ishikura, S. Sakuraba, N. Matubayasi, K. Kuwata, and A. Kitao
    • Journal Title

      Chemical physics letters

      Volume: 559 Pages: 94-98

    • DOI

      10.1016/j.cplett.2012.12.063

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23370066, KAKENHI-PROJECT-23370068, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001, KAKENHI-PUBLICLY-23107705

  • [Journal Article] High-Energy X-ray Diffraction Study on the Intramolecular Structure of 2-Aminoethanol in the Liquid State2013
    • Author(s)
      Y. Kameda, H. Deguchi, Y. Kubota, H. Furukawa, Y. Yagi, Y. Imai, M. Tatsumi, N. Yamazaki, N. Watari, T. Hirata, N. Matubayasi
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 86 Issue: 1 Pages: 99-103

    • DOI

      10.1246/bcsj.20120222

    • NAID

      130004153140

    • ISSN
      0009-2673, 1348-0634
    • Language
      English
    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] ffect of heavy hydrogen isotopes on the vibrational line shape for supercritical water through rotational couplings2013
    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Phys

      Volume: 138

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] High-Energy X-ray Diffraction Study on the Intramolecular Structure of 2-Aminoethanol in the Liquid State2013
    • Author(s)
      Y. Kameda, H. Deguchi, Y. Kubota, H. Furukawa, Y. Yagi, Y. Imai, M. Tatsumi, N. Yamazaki, N. Watari, T. Hirata, N. Matubayasi
    • Journal Title

      Bull. Chem. Soc. Japan

      Volume: 86 Pages: 99-103

    • NAID

      10031143770

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Free-energy analysis of water affinity in polymer studied by atomistic molecular simulation combined with the theory of solutions in the energy representation2012
    • Author(s)
      T. Kawakami, I. Shigemoto, and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 137

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Interaction of naphthalene derivatives with lipid in Overhauser effect and molecular dynamics simulation2012
    • Author(s)
      M. Shintani, Y. Matsuo, S. Sakuraba, and N. Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys

      Volume: 14 Pages: 14049-14060

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Simple and exact approach to the electronic polarization effect on the solvation free energy: Formulation for quantum mechanical/molecular mechanical system and its applications to aqueous solutions2012
    • Author(s)
      H. Takahashi, A. Omi, A. Morita, and N. Matubayasi
    • Journal Title

      Journal of Chemical Physics

      Volume: 136 Pages: 214503-214503

    • DOI

      10.1063/1.4722347

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21245002, KAKENHI-PROJECT-21300111, KAKENHI-ORGANIZER-20118001, KAKENHI-PUBLICLY-23118701

  • [Journal Article] A possible molecular mechanism for the pressure reversal of general anaesthetics: aggregation of halothane in POPC bilayers at high pressure2012
    • Author(s)
      K. M. Tu, N. Matubayasi, K. K. Liang, I. T. Todorov, S. L. Chan, and P.-L. Chau
    • Journal Title

      Cham Phys. Lett

      Volume: 543 Pages: 148-154

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Molecular Dynamics Study of Fast Dielectric Relaxation of Water around a Molecular-Sized Ion2012
    • Author(s)
      Yoji Kubota, Akira Yoshimori, Nobuyuki Matubayasi, Makoto Suzuki, and Ryo Akiyama
    • Journal Title

      J. Chem. Phys

      Volume: 137

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Structural characteristics of yeast F1-ATPase before and after 16-degree rotation of the γ subunit: Theoretical analysis focused on the water-entropy effect.2012
    • Author(s)
      Takashi Yoshidome, Yuko Ito, Nobuyuki Matubayashi, Mitunori Ikeguchi, Masahiro Kinoshita
    • Journal Title

      J. Chem. Phys.

      Volume: 137 Pages: 035102-035102

    • DOI

      10.1063/1.4734298

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-12J07915, KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PLANNED-20118004, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-22300100, KAKENHI-PROJECT-22300102, KAKENHI-PROJECT-23651202, KAKENHI-PUBLICLY-23118713

  • [Journal Article] A possible molecular mechanism for the pressure reversal of general anaesthetics: aggregation of halothane in POPC bilayers at high pressure2012
    • Author(s)
      K. M. Tu, N. Matubayasi, K. K. Liang, I. T. Todorov, S. L. Chan, and P.-L. Chau
    • Journal Title

      Chem. Phys. Lett.

      Volume: 542 Pages: 148-154

    • DOI

      10.1016/j.cplett.2012.06.044

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Interaction of naphthalene derivatives with lipid in membrane studied by 1H-nuclear Overhauser effect and molecular dynamics simulation2012
    • Author(s)
      M. Shintani, Y. Matsuo, S. Sakuraba, and N. Matubayasi
    • Journal Title

      Phys. Chem. Chem. Phys.

      Volume: 14 Pages: 14049-14060

    • DOI

      10.1039/c2cp41984j

    • NAID

      120005312058

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation2012
    • Author(s)
      K. Takemura, H. Guo, S. Sakuraba, N. Matubayasi, and A. Kitao
    • Journal Title

      J. Chem. Phys

      Volume: 137

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Nuclear magnetic resonance study on rotational dynamics of water and benzene in a series of ionic liquids: Anion and cation effects2012
    • Author(s)
      H. Kimura, Y. Yasaka, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 137

    • DOI

      10.1063/1.4766258

    • NAID

      120005054548

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Density effect on infrared spectrum for supercritical water in the low- and medium-density region studied by molecular dynamics simulation2012
    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Phys

      Volume: 137

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Nuclear magnetic resonance study on rotational dynamics of water and benzene in a series of ionic liquids: Anion and cation effects2012
    • Author(s)
      H. Kimura, Y. Yasaka, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 137

    • NAID

      120005054548

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Molecular Dynamics Study of Fast Dielectric Relaxation of Water around a Molecular-Sized Ion2012
    • Author(s)
      Y. Kubota, A. Yoshimori, N. Matubayasi, M. Suzuki, and R. Akiyama
    • Journal Title

      J. Chem. Phys.

      Volume: 137

    • DOI

      10.1063/1.4769972

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23310071, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118007, KAKENHI-PLANNED-20118008

  • [Journal Article] Free energy analysis of the electron-density fluctuation in the quantum-mechanical/molecular mechanical simulation combined with the theory of energy representation2012
    • Author(s)
      N.Matubayasi, H.Takahashi
    • Journal Title

      J. Chem. Phys

      Volume: 136

    • DOI

      10.1063/1.3677184

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PUBLICLY-23118701, KAKENHI-PROJECT-23651202

  • [Journal Article] Pathways and Kinetics of Anisole Pyrolysis Studied by NMR and Selective 13C Labeling. Heterolytic Carbon Monoxide Generation2012
    • Author(s)
      H.Kimura, M.Nakahara, N.Matubayasi
    • Journal Title

      J. Phys.Chem. A

      Volume: 115 Pages: 124-132

    • DOI

      10.1021/jp206355e

    • NAID

      130004152976

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202

  • [Journal Article] Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation2012
    • Author(s)
      K. Takemura, H. Guo, S. Sakuraba, N. Matubayasi, and A. Kitao
    • Journal Title

      J. Chem. Phys.

      Volume: 137

    • DOI

      10.1063/1.4768901

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23370066, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001, KAKENHI-PUBLICLY-23107705

  • [Journal Article] Rotational dynamics of benzene and water in an ionic liquid explored via　molecular dynamics simulations and NMR T1 measurements2012
    • Author(s)
      Y.Yasaka, M.L.Klein, M.Nakahara, N.Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 136

    • DOI

      10.1063/1.3685100

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202

  • [Journal Article] Free-energy analysis of water affinity in polymer studied by atomistic molecular simulation combined with the theory of solutions in the energy representation2012
    • Author(s)
      T. Kawakami, I. Shigemoto, and N. Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 137

    • DOI

      10.1063/1.4770334

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Density effect on infrared spectrum for supercritical water in the low-and medium-density region studied by molecular dynamics simulation2012
    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Phys.

      Volume: 137

    • DOI

      10.1063/1.4767352

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Noncatalytic Hydrothermal Elimination of the Terminal D-Glucose Unit from Malto- and Cello-Oligosaccharides through Transformation to D-Fructose2012
    • Author(s)
      H. Kimura, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Phys.Chem. A

      Volume: 116 Pages: 10039-10049

    • DOI

      10.1021/jp3034165

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Pathways and Kinetics of Anisole Pyrolysis Studied by NMR and Selective 13C Labeling. Heterolytic Carbon Monoxide Generation2012
    • Author(s)
      Y. Tsujino, Y. Yasaka, N. Matubayasi, and M. Nakahara
    • Journal Title

      Bulletin of the Chemical Society of Japan

      Volume: 85 Issue: 1 Pages: 124-132

    • DOI

      10.1246/bcsj.20110334

    • NAID

      130004152976

    • ISSN
      0009-2673, 1348-0634
    • Language
      English
    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] Non-catalytic Hydrothermal Elimination of Terminal D-Glucose Unit from Malto- and Cello-oligosaccharides through Transformation to D-Fructose2012
    • Author(s)
      H. Kimura, M. Nakahara, and N. Matubayasi
    • Journal Title

      J. Phys. Chem. A

      Volume: 116 Pages: 10039-10049

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Simple and exact approach to the electronic polarization effect on the solvation free energy: Formulation for QM/MM system and its applications to aqueous solutions2012
    • Author(s)
      H. Takahashi, A. Omi, A. Morita, and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 136

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] The effect of pressure on halothane binding to hydrated DMPC bilayers2012
    • Author(s)
      P.-L. Chau, K. M. Tu, K. K. Liang, I. T. Todorov, S. J. Roser, R. Barker, and N. Matubayasi
    • Journal Title

      Molecular Physics

      Volume: 110 Pages: 1461-1467

    • DOI

      10.1080/00268976.2012.659682

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] -Energy　and Structural Analysis of Ion Solvation and Contact Ion-Pair Formation of Li+ with BF4&#8722; and PF6&#8722; in Water and　Carbonate Solvents2012
    • Author(s)
      M. Takeuchi, N. Matubayasi, Y. Kameda, B. Minofar, S. Ishiguro, and Y. Umebayashi
    • Journal Title

      J. Phys.Chem. B

      Volume: 116 Pages: 6476-6487

    • DOI

      10.1021/jp3011487

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202, KAKENHI-ORGANIZER-20118001

  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent : Equilibrium fluctuation of cytochrome c2011
    • Author(s)
      Y.Karino, N.Matubayasi
    • Journal Title

      J.Chem.Phys.(Communication) 134

    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Frequency-Domain Investigation of the Ionic Mobility of Triflate Salts in Tetrahydrofuran2011
    • Author(s)
      T.Yamaguchi, Y.Yamada, T.Matsuoka, S.Koda, Y.Yasaka, N.Matubayasi
    • Journal Title

      J.Phys. Chem. B

      Volume: 115 Pages: 12558-12565

    • DOI

      10.1021/jp208317f

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202

  • [Journal Article] Exploring the reorientation of benzene in an ionic liquid via molecular dynamics : Effect of temperature and solvent effective charge on the slow dynamics2011
    • Author(s)
      Y.Yasaka, M.L.Klein, M.Nakahara, N.Matubayasi
    • Journal Title

      J.Chem.Phys.(Communication)

      Volume: 134

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] NMR-NOE and MD Simulation Study on Phospholipid Membranes: Dependence on Membrane Diameter and Multiple Time Scale Dynamics2011
    • Author(s)
      M.Shintani, K.Yoshida, S.Sakuraba, M.Nakahara, N.Matubayasi
    • Journal Title

      J. Phys. Chem. B

      Volume: 115 Pages: 9106-9115

    • DOI

      10.1021/jp204051f

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202

  • [Journal Article] Exploring the reorientation of benzene in an ionic liquid via molecular dynamics: Effect of temperature and solvent effective charge on the slow dynamics2011
    • Author(s)
      Y.Yasaka, M.L.Klein, M.Nakahara, N.Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 134

    • DOI

      10.1063/1.3592530

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202

  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent: Equilibrium fluctuation of cytochrome c2011
    • Author(s)
      Y. Karino and N. Matubayasi
    • Journal Title

      J. Chem. Phys

      Volume: 134

    • DOI

      10.1063/1.3535560

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011
    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      J.Phys.Chem.B

      Volume: 115 Pages: 4745-4751

    • DOI

      10.1021/jp2015676

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-21350011, KAKENHI-PROJECT-23651202

  • [Journal Article] Hydration property of globular proteins : an analysis of solvation free energy by energy representation method2011
    • Author(s)
      Y.Karino, N.Matubayasi
    • Journal Title

      J.Chem.Phys. 134

      Pages: 41105-41105

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011
    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      J.Phys.Chem.B

      Volume: 115 Pages: 4745-4751

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011
    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      J.Phys.Chem.B

      Volume: 115(印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent : Equilibrium fluctuation of cytochrome c2011
    • Author(s)
      Y.Karino, N.Matubayasi
    • Journal Title

      J.Chem.Phys.

      Volume: 134(Communication)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Distribution-function approach to free energy computation2011
    • Author(s)
      S.Sakuraba, N.Matubayasi
    • Journal Title

      J. Chem. Phys.

      Volume: 134

    • DOI

      10.1063/1.3637036

    • NAID

      120003437103

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202

  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent : Equilibrium fluctuation of cytochrome c2011
    • Author(s)
      Y.Karino, N.Matubayasi
    • Journal Title

      J.Chem.Phys.

      Volume: 134(Communication)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Exploring the reorientation of benzene in an ionic liquid via molecular dynamics : Effect of temperature and solvent effective charge on the slow dynamics2011
    • Author(s)
      Y.Yasaka, M.L.Klein, M.Nakahara, N.Matubayasi
    • Journal Title

      J.Chem.Phys.

      Volume: 134(Communication)

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Free-energy analysis of hydration effect on protein with explicit solvent : Equilibrium fluctuation of cytochrome c2011
    • Author(s)
      Y.Karino, N.Matubayasi
    • Journal Title

      J.Chem.Phys.(Communication)

      Volume: 134

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011
    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      J.Phys.Chem.B 115

      Pages: 4745-4751

    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Hydration property of globular proteins : An analysis of solvation free energy by energy representation method2011
    • Author(s)
      H.Saito, N.Matubayasi, K.Nishikawa, H.Nagao
    • Journal Title

      Chem.Phys.Lett.

      Volume: 497 Pages: 218-222

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Energetic Origin of Proton Affinity to the Air/Water Interface2011
    • Author(s)
      H.Takahashi, K.Maruyama, Y.Karino, A.Morita, M.Nakano, P.Jungwirth, N.Matubayasi
    • Journal Title

      J.Phys.Chem.B

      Volume: 115 Pages: 4745-4751

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Hydration structure around CO2 captured in aqueous amine solutions observed by high energy X-ray scattering2011
    • Author(s)
      H.Deguchi, Y.Kubota, H.Furukawa, Y.Yagi, Y.Imai, M.Tatsumi, N.Yamazaki, N.Watari, T.Hirata, N.Matubayasi, Y.Kameda
    • Journal Title

      Int. J. Greenhouse Gas Control

      Volume: 5 Pages: 1533-1539

    • DOI

      10.1016/j.ijggc.2011.08.010

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001, KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111, KAKENHI-PROJECT-23651202

  • [Journal Article] Development of a Quantum Chemical Method Combined with a Theory of Solutions--Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations2010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Journal Title

      Advances in Quantum Chemistry

      Volume: 59 Pages: 283-351

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] 高温高圧水における有機反応研究の進歩2010
    • Author(s)
      中原勝、辻野康夫、八坂能郎、吉田健、魚崎泰弘、若井千尋、松林伸幸
    • Journal Title

      高圧力の科学と技術

      Volume: 20 Pages: 40-49

    • NAID

      10026122135

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article]2010
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      The Journal of Physical Chemistry A Vol.114

      Pages: 3510-3515

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550014

  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010
    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys.Chem. A

      Volume: 114 Pages: 3510-3515

    • DOI

      10.1021/jp908174s

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] イオン液体の不純物戦記-水という「pH指示薬」を用いた不純物の検出法2010
    • Author(s)
      八坂能郎、中原勝、松林伸幸
    • Journal Title

      化学

      Volume: 65(7) Pages: 46-51

    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] 高温高圧水における有機反応研究の進歩2010
    • Author(s)
      中原勝、辻野康夫、八坂能郎、吉田健、魚崎泰弘、若井千尋、松林伸幸
    • Journal Title

      高圧力の科学と技術

      Volume: 20 Pages: 40-49

    • NAID

      10026122135

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010
    • Author(s)
      Y.Karino, M.V.Fedorov, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett. 496

      Pages: 351-355

    • NAID

      120002561295

    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of Temperatures and Densities2010
    • Author(s)
      K.Yoshida, N.Matubayasi, Y.Uosaki, M.Nakahara
    • Journal Title

      J.Chem.Eng.Data

      Volume: 55 Pages: 2815-2823

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of Temperatures and Densities2010
    • Author(s)
      K.Yoshida, N.Matubayasi, Y.Uosaki, M.Nakahara
    • Journal Title

      J.Chem.Eng.Data

      Volume: 55 Pages: 2815-2823

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N Hydrogen Bond2010
    • Author(s)
      K.Hayashi, N.Matubayasi, C.Jiang, T.Yoshimura, S.Majumdar, T.Sasamori, N.Tokitoh, T.Kawabata
    • Journal Title

      J.Org.Chem.

      Volume: 75 Pages: 5031-5036

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Hydration property of globular proteins : An analysis of solvation free energy by energy representation method2010
    • Author(s)
      H.Saito, N.Matubayasi, K.Nishikawa, H.Nagao
    • Journal Title

      Chem.Phys.Lett. 497

      Pages: 218-222

    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 3510-3515

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010
    • Author(s)
      Y.Karino, M.V.Fedorov, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett.

      Volume: 496 Pages: 351-355

    • NAID

      120002561295

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      The Journal of Physical Chemistry A 114

      Pages: 3510-3515

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550014

  • [Journal Article] イオン液体の不純物戦記-水という「pH指示薬」を用いた不純物の検出法2010
    • Author(s)
      八坂能郎、中原勝、松林伸幸
    • Journal Title

      化学

      Volume: 65(7) Pages: 46-51

    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010
    • Author(s)
      Y.Karino, M.V.Fedorov, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett. 496

      Pages: 351-351

    • NAID

      120002561295

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Hydration property of globular proteins : An analysis of solvation free energy by energy representation method2010
    • Author(s)
      H.Saito, N.Matubayasi, K.Nishikawa, H.Nagao
    • Journal Title

      Chem.Phys.Lett.

      Volume: 497 Pages: 218-222

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Newly Designed Neutron Diffraction Cell for Fluids at High Temperatures and High Pressures2010
    • Author(s)
      H.Iwase, N.Matubayasi, Y.Kameda, K.Itoh, T.Otomo, M.Nakahara
    • Journal Title

      Japanese Journal of Applied Physics 49

    • NAID

      40016941288

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010
    • Author(s)
      Y.Karino, M.V.Fedorov, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett.

      Volume: 496 Pages: 351-355

    • NAID

      120002561295

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N Hydrogen Bond2010
    • Author(s)
      K.Hayashi, N.Matubayasi, C.Jiang, T.Yoshimura, S.Majumdar, T.Sasamori, N.Tokitoh, T.Kawabata
    • Journal Title

      J.Org.Chem.

      Volume: 75 Pages: 5031-5036

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Hydration property of globular proteins : An analysis of solvation free energy by energy representation method2010
    • Author(s)
      H.Saito, N.Matubayasi, K.Nishikawa, H.Nagao
    • Journal Title

      Chem.Phys.Lett.

      Volume: 497 Pages: 218-222

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of Temperatures and Densities2010
    • Author(s)
      K.Yoshida, N.Matubayasi, Y.Uosaki, M.Nakahara
    • Journal Title

      J.Chem.Eng.Data

      Volume: 55 Pages: 2815-2823

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] 高温高圧水における有機反応研究の進歩2010
    • Author(s)
      中原勝、辻野康夫、八坂能郎、吉田健、魚崎泰弘、若井千尋、松林伸幸
    • Journal Title

      高圧力の科学と技術

      Volume: 20 Pages: 40-49

    • NAID

      10026122135

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] イオン液体の不純物戦記-水という「pH指示薬」を用いた不純物の検出法2010
    • Author(s)
      八坂能郎、中原勝、松林伸幸
    • Journal Title

      化学

      Volume: 65(7) Pages: 46-51

    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Newly Designed Neutron Diffraction Cell for Fluids at High Temperatures and High Pressures2010
    • Author(s)
      H.Iwase, N.Matubayasi, Y.Kameda, K.Itoh, T.Otomo, M.Nakahara
    • Journal Title

      Japanese Journal of Applied Physics 49

    • NAID

      40016941288

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Newly Designed Neutron Diffraction Cell for Fluids at High Temperatures and High Pressures2010
    • Author(s)
      H. Iwase, N. Matubayasi, Y. Kameda, K. Itoh, T. Otomo, and M. Nakahara
    • Journal Title

      Jpn. J. Appl. Phys.

      Volume: 49 Issue: 1 Pages: 016602-016602

    • DOI

      10.1143/jjap.49.016602

    • NAID

      40016941288

    • ISSN
      0021-4922, 1347-4065
    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N HydrogenBond2010
    • Author(s)
      K. Hayashi, N. Matubayasi, C. Jiang, T. Yoshimura, S. Majumdar, T. Sasamori, N. Tokitoh, and T. Kawabata
    • Journal Title

      J. Org. Chem.

      Volume: 75 Pages: 5031-5036

    • DOI

      10.1021/jo100586b

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21249001, KAKENHI-PROJECT-21300111

  • [Journal Article] Development of a Quantum Chemical Method Combined with a Theory of Solutions--Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations2010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Journal Title

      Advances in Quantum Chemistry

      Volume: 59 Pages: 283-351

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Hydration property of globular proteins: An analysis of solvation free energy by energy representation method2010
    • Author(s)
      H. Saito, N. Matubayasi, K. Nishikawa, and H. Nagao
    • Journal Title

      Chem. Phys. Lett.

      Volume: 497 Pages: 218-222

    • DOI

      10.1016/j.cplett.2010.08.008

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010
    • Author(s)
      Y.Karino, M.V.Fedorov, N.Matubayasi
    • Journal Title

      Chem.Phys.Lett.

      Volume: 496 Pages: 351-355

    • NAID

      120002561295

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 3510-3515

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A

      Volume: 114 Pages: 3510-3515

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid2010
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Phys.Chem.A 114

      Pages: 3510-3515

    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N-H-N Hydrogen Bond2010
    • Author(s)
      K.Hayashi, N.Matubayasi, C.Jiang, T.Yoshimura, S.Majumdar, T.Sasamori, N.Tokitoh, T.Kawabata
    • Journal Title

      J.Org.Chem.

      Volume: 75 Pages: 5031-5036

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of Temperatures and Densities2010
    • Author(s)
      K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara
    • Journal Title

      J. Chem. Eng. Data

      Volume: 55 Pages: 2815-2823

    • DOI

      10.1021/je100206s

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution2010
    • Author(s)
      Y. Karino, M. V. Fedorov, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett.

      Volume: 496 Pages: 351-355

    • DOI

      10.1016/j.cplett.2010.07.054

    • NAID

      120002561295

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] Development of a Quantum Chemical Method Combined with a Theory of Solutions--Free-Energy Calculation for Chemical Reactions by Condensed Phase Simulations2010
    • Author(s)
      H.Takahashi, N.Matubayasi, M.Nakano
    • Journal Title

      Advances in Quantum Chemistry

      Volume: 59 Pages: 283-351

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Free-Energy Analysis of Solvation with the Method of Energy Representation2009
    • Author(s)
      N.Matubayasi
    • Journal Title

      Frontiers in Bioscience 14

      Pages: 3536-3549

    • NAID

      10025613007

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] エネルギー表示法による溶媒和の自由エネルギー解析2009
    • Author(s)
      松林伸幸
    • Journal Title

      熱測定 36

      Pages: 165-172

    • NAID

      10025613007

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Free-Energy Analysis of Solvation with the Method of Energy Representation2009
    • Author(s)
      松林伸幸
    • Journal Title

      Frontiers in Bioscience 14

      Pages: 3536-3549

    • NAID

      10025613007

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009
    • Author(s)
      K Yoshida, N. Matubayasi, M. Nakahara
    • Journal Title

      J. Mol. Liq.

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2009
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2009
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009
    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Mol. Liq

      Volume: 147 Pages: 96-101

    • DOI

      10.1016/j.molliq.2008.10.006

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2009
    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, and M. Nakahara
    • Journal Title

      Anal. Chem.

      Volume: 81 Pages: 400-407

    • DOI

      10.1021/ac801767u

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002, KAKENHI-PROJECT-21300111

  • [Journal Article] エネルギー表示法による溶媒和の自由エネルギー解析2009
    • Author(s)
      松林伸幸
    • Journal Title

      熱測定 36

      Pages: 165-172

    • NAID

      10025613007

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Free-Energy Analysis of Solvation with the Method of Energy Representation2009
    • Author(s)
      松林伸幸
    • Journal Title

      Frontiers in Bioscience 14

      Pages: 3536-3549

    • NAID

      10025613007

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] エネルギー表示法による溶媒和の自由エネルギー解析2009
    • Author(s)
      松林伸幸
    • Journal Title

      熱測定 36

      Pages: 165-172

    • NAID

      10025613007

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Water as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2009
    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasid, M. Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009
    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Mol. Lie

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009
    • Author(s)
      K.Yoshida, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Mol.Liq. 147

      Pages: 96-101

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article]2009
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      Analytical Chemistry Vol.81

      Pages: 400-407

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550014

  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2009
    • Author(s)
      K.Yoshida, N.Matubayasi, M.Nakahara
    • Journal Title

      J.Mol.Liq. 147

      Pages: 96-101

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Journal Article] Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water : A novel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation2008
    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M. Nakano, and N. Matubayasi
    • Journal Title

      J. Chem. Phys 129

      Pages: 205103-205103

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [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)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Investigation of the dominant hydration structures among the ionic species in aqueous solution : Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation2008
    • Author(s)
      H. Takahashi, H. Ohno, T. Yamauchi, R. Kishi, S. Furukawa, M. Nakano, and N. Matubayasi
    • Journal Title

      J. Chem. Phys 128

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Self-diffusion coefficients for water and organic solvents at high-temperatures along the coexistence curve2008
    • Author(s)
      K. Yoshida, N. Matubayasi and M. Nakahara
    • Journal Title

      J. Chem. Phys 129, 214501

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Hydrothermal C-C Bond Formation and Disproportionation of Acetaldehyde with Formic Acid2008
    • Author(s)
      S. Morooka, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 6950-6959

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Free-Energy Change of Inserting Halothane into Different Depths of a Hydrated DMPC Bilayer2008
    • Author(s)
      P. L. Chau, K. M. Tu, K. K. Liang, S. L. Chan, N. Matubayasi
    • Journal Title

      Chem. Phys. Lett. 462

      Pages: 112-115

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Self-diffusion coefficients for water and organic solvents at high-temperatures along the coexistence curve2008
    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Chem. Phys 129

      Pages: 214501-214501

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Partial Pair Correlation Functions of Low-Density Supercritical Water Determined by Neutron Diffraction with the H/D Isotopic Substitution Method2008
    • Author(s)
      T. Otomo, H. Iwase, Y. Kameda, N. Matubayasi, K. Itoh, S. Ikeda, M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 4687-4693

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Computation of the reduction free energy of coenzyme in aqueous solution by the QM/MM-ER method2008
    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M. Nakano, N. Matubayasi
    • Journal Title

      Chem. Phys. Lett. 456

      Pages: 176-180

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Hydrothermal C-C Bond Formation and Disproportionation of Acetaldehyde with Formic Acid2008
    • Author(s)
      S. Morooka, N. Matubayasi, M. Nakahara
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 6950-6959

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Computation of the free energy change associated with one-electron red uction of coenzyme immersed in water : A novel approach within the fra mework of the quantum mechanical/molecular mechanical method combi ned with the theory of energy representation2008
    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M. Nakano, and N. Matubayasi
    • Journal Title

      J. Chem. Phys. 129

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Partial Pair Correlation Functions of Low-Density Supercritical Water Determined by Neutron Diffraction with the H/D Isotopic Substitution Method2008
    • Author(s)
      T. Otomo, H. Iwase, Y. Kameda, N. Matubayasi, K. Itoh, S. Ikeda, and M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 4687-4693

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article]2008
    • Author(s)
      C.Giordani, C.Wakai, K.Yoshida, E.Okamura, N.Matubayasi, M.Nakahara
    • Journal Title

      The Journal of Physical Chemistry B Vol.112

      Pages: 2622-2628

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550014

  • [Journal Article] Self-diffusion coefficients for water and organic solvents at high-tempera tures along the coexistence curve2008
    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. A 129

    • Peer Reviewed
    • Data Source
      KAKENHI-ORGANIZER-20118001

  • [Journal Article] Water as an in Situ NMR Indicator for Impurity Acids in Ionic liquids2008
    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, M. Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550014

  • [Journal Article] Water-as an In-situ NMR Indicator for Impurity Acids in Ionic Liquids2008
    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, and M. Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states2008
    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Mol. Liq. (印刷中)

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect2008
    • Author(s)
      C. Giordani, C. Wakai, K. Yoshida, E. Okamura, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 2622-2628

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Computation of thefree energy change associated with one-electron reduction of coenzyme immersed in water : Anovel approach within the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation2008
    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M. Nakano, and N. Matubayasi
    • Journal Title

      J. Chem. Phys 128

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Cholesterol Location and Orientation inAqueous Suspension of Large UnilamellarVesicles of Phospholipid Revealed byIntermolecular Nuclear Overhauser Effect2008
    • Author(s)
      Giordani, C. Wakai, K. Yoshida, E. Okamura,N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys.Chem B 112

      Pages: 2622-2628

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Free-Energy Change of Inserting Halothane into Different Depths of a Hydrated DMPC Bilayer2008
    • Author(s)
      P. L. Chau, K. M. Tu, K. K. Liang, S. L. Chan, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett 462

      Pages: 112-115

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Computation of the free energy change associated with one-electron reduction of coenzyme immersed in water : A novel approach with in the framework of the quantum mechanical/molecular mechanical method combined with the theory of energy representation2008
    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M. Nakano, N. Matubayasi
    • Journal Title

      J. Chem. Phys 128

      Pages: 205103-205103

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Investigation of the dominant hydration structures among the ionic species in aqueous solution : Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation2008
    • Author(s)
      H. Takahashi, H. Ohno, T. Yamauchi, R. Kishi, S. Furukawa, M. Nakano, N. Matubayasi
    • Journal Title

      J. Chem. Phys 128

      Pages: 64507-64507

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation2008
    • Author(s)
      N. Matubayasi, W. Shinoda, and M. Nakahara
    • Journal Title

      J. Chem. Phys 128, 195107

      Pages: 13-13

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect2008
    • Author(s)
      C. Giordani, C. Wakai, K. Yoshida, E. Okamura, N. Matubayasi, M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 2622-2628

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Partial Pair Correlation Functions of Low-Density Supercritical Water Determined by Neutron Diffraction with the H/D Isotopic Substitution Method2008
    • Author(s)
      T. Otomo, H. Iwase, Y. Kameda, N. Matubayasi, K. Itoh, S. Ikeda, and M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 4687-4693

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Free-Energy Change of Inserting Halothane into Different Depths of a Hydrated DMPC Bilayer2008
    • Author(s)
      P. L. Chau, K. M. Tu, K. K. Liang, S. L Chan, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett 462

      Pages: 112-115

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phosholipid revealed by Intermolecular Nuclear Overhauser Effect2008
    • Author(s)
      C Giordani, C. Wakai, K. Yoshida, E. Okamura, N. Matubayasi, and M. Nakahara
    • Journal Title

      The Journal of Physical Chemistry B 112

      Pages: 2622-2628

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20031015

  • [Journal Article] Self-diffusion coefficients for water and organic solvents at high-temperatures along the coexistence curve2008
    • Author(s)
      K. Yoshida, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Chem. Phys 128

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Computation of the reduction free energy of coenzyme in aqueous solution by the QM/MM-ER method2008
    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M. Nakano, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett 456

      Pages: 176-180

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Water as an in Situ NMR Indicator for Impurity Acids in Ionic liquids2008
    • Author(s)
      Y. Yasaka, C. Wakai, N. Matubayasi, and M. Nakahara
    • Journal Title

      Analytical Chemistry 81

      Pages: 400-407

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20031015

  • [Journal Article] Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation2008
    • Author(s)
      N. Matubayasi, W. Shinoda, M. Nakahara
    • Journal Title

      T. Chem. Phys 128

      Pages: 195107-195107

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect2008
    • Author(s)
      C. Giordani, C. Wakai, K. Yoshida, E. Okamura, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. B 112

      Pages: 2622-2628

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Computation of the reduction. free energy of coenzyme in aqueous solution by the QM/MM-ER method2008
    • Author(s)
      H. Takahashi, H. Ohno, R. Kishi, M, Nakano, and N. Matubayasi
    • Journal Title

      Chem. Phys. Lett 456

      Pages: 176-180

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Self-diffusion coefficients for water and organic solvents at high-temperatures along the coexistence curve2008
    • Author(s)
      K. Yoshida, N. Matubayasi, M. Nakahara
    • Journal Title

      J. Chem. Phys 128

      Pages: 21450-21450

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation2008
    • Author(s)
      N. Matubayasi, W. Shinoda, and M. Nakahara
    • Journal Title

      J. Chem. Phys 128

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Hydrothermal C-C Bond Formation and Disproportionation of Acetaldehyde with Formic Acid2008
    • Author(s)
      S. Morooka, N. Matubayasi, and M. Nakahara
    • Journal Title

      J. Phys. Chem. A 112

      Pages: 6950-6959

    • Peer Reviewed
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Journal Article] Investigation of the dominant hydration structures among the ionic species in aqueous solution : Novel quantum mechanics/molecular mechanics simulations combined with the theory of energy representation2008
    • Author(s)
      H. Takahashi, H. Ohno, T. Yamauchi, R. Kishi, S. Furukawa, M. Nakano, and N. Matubayasi
    • Journal Title

      J. Chem. Phys 128

      Pages: 64507-64507

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20038034

  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phosholipid revealed by Intermolecular Nuclear Overhauser Effect2008
    • Author(s)
      C. Giordani, C. Wakai, K. Yoshida, E. Okamura, N. Matubayasi, M. Nakahara
    • Journal Title

      The Journal of Physical Chemistry B 112

      Pages: 2622-2628

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-20550014

  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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 Chloride2007
    • Author(s)
      Y.Yasaka, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J. Phys. Chem. A 111

      Pages: 541-543

    • Data Source
      KAKENHI-PROJECT-18350004

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Kinetic Study on Disproportionations of Cl 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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Chemical Equilibrium of Formaldehyde and Methanediol in Hot Water : Free-energy Analysis of the Solvent Effect2007
    • Author(s)
      N.Matubayasi, S.Morooka, M.Nakahara, H.Takahashi
    • Journal Title

      J. Mol. Liq. 121(印刷中)

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Solvation shell dynamics studied bymolecular dynamics simulation in relation tothe translational and rotational dynamics ofsupercritical water and benzene2007
    • Author(s)
      K. Yoshida,N. Matubayasi, and M. Nakahara, J
    • Journal Title

      Chem.Phys 127, 174509

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Kinetic Study on Disproportionations of C1 Aldehydes in Supercritical Water : Methanol from Formaldehyde and Formic Acid2007
    • Author(s)
      S.Morooka, N.Matubayasi, M.Nakahara
    • Journal Title

      J. Phys. Chem. A 111(印刷中)

    • Data Source
      KAKENHI-PROJECT-18350004

  • [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
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Slowdown of H/D Exchange Reaction Rateand Water Dynamics in Ionic Liquids : Deactivation of Solitary Water Solvated bySmall Anions in1-Butyl-3-Methylimidazolium Chloride2007
    • Author(s)
      Y.Yasaka, C. Wakai, N. Matubayasi, and M.Nakahara, J
    • Journal Title

      Phys. Chem. A 111

      Pages: 541-543

    • Data Source
      KAKENHI-PROJECT-18350004

  • [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
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect2007
    • Author(s)
      Giordani, C., Wakai, C., Yoshida, K., Okamura, E., Matubayasi, N. & Nakahara, M
    • Journal Title

      J. Phys. Chem. B 111

      Pages: 2622-2628

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Rotational dynamics of water and benzene controlled by anion field in ionicliquids: 1-butyl-3-methylimidazolium chloride and hexafluorophosphate.2007
    • Author(s)
      Yasaka, Y., Wakai, C., Matubayasi, N. & Nakahara, M
    • Journal Title

      J. Chem. Phys 127

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-18350004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Peer Reviewed
    • Data Source
      KAKENHI-PROJECT-15076205

  • [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)

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Kinetic and Equilibrium Study on FormicAcid Decomposition in Relation to theWater-Gas-Shift Reaction2006
    • Author(s)
      Y. Yasaka, K.Yoshida, C. Wakai, N. Matubayasi, and M.Nakahara
    • Journal Title

      J. Phys. Chem. A 110

      Pages: 11082-11090

    • Data Source
      KAKENHI-PROJECT-18350004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Pair-correlation entropy of hydrophobia 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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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)

    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Self-diffusion of supercritical water in extremely low-density region2006
    • Author(s)
      K.Yoshida, N.Matubayasi, M.Nakahara
    • Journal Title

      J. Chem. Phys. 124

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Dynamic and 2D NMR Studies onHydrogen-Bonding Aggregates of Cholesterolin Low-Polarity Organic Solvents2006
    • Author(s)
      C.Giordani, C. Wakai, E. Okamura, N.Matubayasi, and M. Nakahara, J
    • Journal Title

      Phys. Chem B 110

      Pages: 15205-15211

    • Data Source
      KAKENHI-PROJECT-18350004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Kinetic and Equilibrium Study on Formic Acid Decomposition in Relation to the Water-Gas-Shift Reaction2006
    • Author(s)
      Y.Yasaka, K.Yoshida, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      J. Phys. Chem. A 110

      Pages: 11082-11090

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Free-energy analysis of solubilization in micelle2006
    • Author(s)
      N. Matubayasi, K. K. Liang, and M. Nakahara
    • Journal Title

      J. Chem. Phys 124, 154908

    • Data Source
      KAKENHI-PROJECT-18350004

  • [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)

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Dynamic and 2D NMR Studies on Hydrogen-Bonding Aggregates of Cholesterol in Low-Polarity Organic Solvents2006
    • Author(s)
      C.Giordani, C.Wakai, E.Okamura, N.Matubayasi, M.Nakahara
    • Journal Title

      J. Phys. Chem. B 110

      Pages: 15205-15211

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Intermolecular proton transfer from formaldehyde intermediate to anisole in noncatalytic pyrolysis : Phenol produced without hydrolysis2006
    • Author(s)
      Y.Tsujino, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      Chem. Lett 35

      Pages: 1334-1335

    • NAID

      10020134281

    • Data Source
      KAKENHI-PROJECT-18350004

  • [Journal Article] Free-energy analysis of solubilization in micelle2006
    • Author(s)
      N.Matubayasi, K.K.Liang, M.Nakahara
    • Journal Title

      J. Chem. Phys. 124

    • Data Source
      KAKENHI-PROJECT-18350004

  • [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)

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Hydrothermal Carbon-Carbon Bond Formation and Disproportionations of Cl 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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Hydrothermal reaction 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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

      Chemistry Letters 34

      Pages: 1064-1065

    • NAID

      10016469741

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

      Chemistry Letters 33

      Pages: 572-573

    • NAID

      10012943734

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Noncatalytic Disproportionation and Decarbonylation Reactions of Benzaldehyde in Supercritical Water2004
    • Author(s)
      Nagai, Y., Matubayasi, N., Nakahara, M
    • Journal Title

      Chemistry Letters 33

      Pages: 622-623

    • NAID

      10012944167

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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, E., Matubayasi, N., Nakahara, M
    • Journal Title

      Biophysical J. 87

      Pages: 375-385

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

      Chemistry Letters 33

      Pages: 624-625

    • NAID

      10012944179

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Hot Water Induces an Acid-Catalyzed Reaction in Its Undissociate d Form2004
    • Author(s)
      Nagai, Y., Matubayasi, N., Nakahara, M
    • Journal Title

      Bull. Chem. Soc. Japan 77

      Pages: 691-697

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Carbon-Carbon Bond Formation in Glycolic Acid Generated Spontaneously from Dichloromethane in Hot Water2004
    • Author(s)
      C.Wakai, S.Morooka, N.Matubayasi, M.Nakahara
    • Journal Title

      Chemistry Letters 33

      Pages: 302-303

    • NAID

      10012723021

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] NMR Study on the Binding of Neuropeptide Achatin-I to Phospholipid bilaver : The Equilibrium, Location. and Peptide Conformation2004
    • Author(s)
      Kimura T, Okamura E, Matubayasi N, Asami K, Nakahara M.
    • Journal Title

      Biophysical Journal 87

      Pages: 375-385

    • Data Source
      KAKENHI-PROJECT-16655071

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Limited slowdown of endocrine-disrupter 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

    • Description
      「研究成果報告書概要(欧文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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, E., Matubayasi, N., Nakahara, M.
    • Journal Title

      Biophysical J. 87

      Pages: 375-385

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Synthesis of Dimethyl Ether from Supercritical Methanol in the Presence of Aluminum2004
    • Author(s)
      Y.Usui, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      Chemistry Letters 33

      Pages: 394-395

    • NAID

      10012846914

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Side-Chain Conformational Thermodynamics of Aspartic Acid Residue in the Peptides and Achatin-I in Aqueous Solution2004
    • Author(s)
      T.Kimura, N.Matubayasi, M.Nakahara
    • Journal Title

      Biophysical Journal 86

      Pages: 1124-1137

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Limited Slowdown of Endocrine-Disruptor Diffusion in Confined Fluid Lipid Membranes2004
    • Author(s)
      Okamura E, Wakai C, Matubayasi N, Sugiura Y, Nakahara M.
    • Journal Title

      Physical Review Letters 93

      Pages: 248101-248101

    • Data Source
      KAKENHI-PROJECT-16655071

  • [Journal Article] NMR Study on the Reorientational Relaxation in Supercritical Alcohols2004
    • Author(s)
      T.Yamaguchi, N.Matubayasi, M.Nakahara
    • Journal Title

      Journal of Physical Chemistry A 108

      Pages: 1319-1324

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15205004

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [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

    • Data Source
      KAKENHI-PROJECT-15076205

  • [Journal Article] Noncatalytic Cannizzaro-type Reaction of Acetaldehyde in Supercritical Water2003
    • Author(s)
      Y.Nagai, C.Wakai, N.Matubayasi, M.Nakahara
    • Journal Title

      Chemistry Letters 32

      Pages: 310-311

    • NAID

      10012815224

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Journal Article] Theory of solutions in the energy representation. III. Treatment of the molecular flexibility2003
    • Author(s)
      N.Matubayasi, M.Nakahara
    • Journal Title

      Journal of Chemical Physics 119

      Pages: 9686-9702

    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Patent] 14ポリマーの最大吸収能の計算方法、計算装置、計算プログラム2019
    • Inventor(s)
      河合 邦親、松林 伸幸
    • Industrial Property Rights Holder
      河合 邦親、松林 伸幸
    • Industrial Property Rights Type
      特許
    • Filing Date
      2019
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Patent] 輸送係数の解析プログラムおよび輸送係数の解析方法2018
    • Inventor(s)
      森 穂高、泉 龍介、 松林 伸幸
    • Industrial Property Rights Holder
      森 穂高、泉 龍介、 松林 伸幸
    • Industrial Property Rights Type
      特許
    • Industrial Property Number
      2018-031932
    • Filing Date
      2018
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Patent] 輸送係数の解析プログラムおよび輸送係数の解析方法2018
    • Inventor(s)
      森 穂高、泉 龍介、松林 伸幸
    • Industrial Property Rights Holder
      森 穂高、泉 龍介、松林 伸幸
    • Industrial Property Rights Type
      特許
    • Industrial Property Number
      2018-031932
    • Filing Date
      2018
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Patent] 樹脂金属接合体及び圧力センサ2016
    • Inventor(s)
      森 穂高、山川 裕之、今井 博 和、吉田 典 史、松林 伸幸
    • Industrial Property Rights Holder
      森 穂高、山川 裕之、今井 博 和、吉田 典 史、松林 伸幸
    • Industrial Property Rights Type
      特許
    • Filing Date
      2016-11-18
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Patent] 樹脂金属接合体及び圧力センサ2016
    • Inventor(s)
      森 穂高、山川 裕之、今井 博和、吉田 典史、松林 伸幸
    • Industrial Property Rights Holder
      森 穂高、山川 裕之、今井 博和、吉田 典史、松林 伸幸
    • Industrial Property Rights Type
      特許
    • Filing Date
      2016-11-18
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Patent] 自由エネルギー計算装置、方法、プログラム、並びに該プログラムを記録した記録媒体2015
    • Inventor(s)
      松林 伸幸、増田 友秀、谷村 隆次
    • Industrial Property Rights Holder
      松林 伸幸、増田 友秀、谷村 隆次
    • Industrial Property Rights Type
      特許
    • Filing Date
      2015-09-30
    • Overseas
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Patent] 自由エネルギー計算装置、方法、プログラム、並びに該プログラムを記録した記録媒体2015
    • Inventor(s)
      松林 伸幸、増田 友秀、谷村 隆次
    • Industrial Property Rights Holder
      松林 伸幸、増田 友秀、谷村 隆次
    • Industrial Property Rights Type
      特許
    • Filing Date
      2015-09-30
    • Overseas
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Patent] 細胞・微生物の NMR測定方法および NMR用プローブ並びに NMR制御装置2012
    • Inventor(s)
      池田武義、中原勝、松林伸幸、若井千尋
    • Industrial Property Rights Holder
      池田武義、中原勝、松林伸幸、若井千尋
    • Acquisition Date
      2012-07-27
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Patent] 細胞・微生物のNMR測定方法およびNMR用プローブ並びにNMR制御装置2012
    • Inventor(s)
      池田 武義、中原 勝、松林 伸幸、若井 千尋
    • Industrial Property Rights Holder
      池田 武義、中原 勝、松林 伸幸、若井 千尋
    • Filing Date
      2012-07-27
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Patent] 水熱反応を利用した水素の製造方法2010
    • Inventor(s)
      中原 勝、松林 伸幸、若井 千尋、吉田 健
    • Industrial Property Rights Holder
      中原 勝、松林 伸幸、若井 千尋、吉田 健
    • Filing Date
      2010-03-26
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Patent] 水熱反応を利用した水素の製造方法2010
    • Inventor(s)
      中原勝、松林伸幸、若井千尋、吉田健
    • Industrial Property Rights Holder
      中原勝、松林伸幸、若井千尋、吉田健
    • Acquisition Date
      2010-03-26
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Patent] 水素の製造方法2009
    • Inventor(s)
      中原 勝、松林 伸幸、八坂 能郎
    • Industrial Property Rights Holder
      中原 勝、松林 伸幸、八坂 能郎
    • Filing Date
      2009-07-28
    • Overseas
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Patent] 水素の製造方法2009
    • Inventor(s)
      中原勝、松林伸幸、八坂能郎
    • Industrial Property Rights Holder
      中原勝、松林伸幸、八坂能郎
    • Acquisition Date
      2009-07-28
    • Overseas
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Patent] 高温測定用 NMRプローブ2009
    • Inventor(s)
      中原勝、松林伸幸、若井千尋、池田武義
    • Industrial Property Rights Holder
      中原勝、松林伸幸、若井千尋、池田武義
    • Acquisition Date
      2009-06-26
    • Data Source
      KAKENHI-PLANNED-20118002

  • [Patent] 高温測定用NMRプローブ2009
    • Inventor(s)
      中原 勝、松林 伸幸、若井 千尋、池田 武義
    • Industrial Property Rights Holder
      中原 勝、松林 伸幸、若井 千尋、池田 武義
    • Filing Date
      2009-06-26
    • Data Source
      KAKENHI-PROJECT-21300111

  • [Patent] 細胞・微生物のNMR測定方法およびNMR用プローブ並びにNMR制御装置2008
    • Inventor(s)
      池田武義、中原勝、松林伸幸、若井千尋
    • Industrial Property Rights Holder
      池田武義、中原勝、松林伸幸、若井千尋
    • Filing Date
      2008-08-31
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Patent] 細胞・微生物のNMR測定方法およびNMR用プローブ並びにNMR制御装置2006
    • Inventor(s)
      池田武義, 中原勝, 松林伸幸, 若井千尋
    • Industrial Property Number
      2006-235082
    • Filing Date
      2006-08-31
    • Data Source
      KAKENHI-PROJECT-18350004

  • [Patent] エーテルの製造方法2004
    • Inventor(s)
      中原勝, 松林伸幸, 若井千尋, 臼井祐馬
    • Industrial Property Number
      2004-013554
    • Filing Date
      2004-01-21
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Patent] 新奇なグリコール酸の製造方法2004
    • Inventor(s)
      中原勝, 松林伸幸, 若井千尋, 諸岡紗以子
    • Industrial Property Number
      2004-023654
    • Filing Date
      2004-01-30
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Patent] 芳香族化合物の製造方法2004
    • Inventor(s)
      中原勝, 松林伸幸, 若井千尋
    • Industrial Property Number
      2004-032723
    • Filing Date
      2004-02-09
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Patent] 水熱反応を利用した水素の製造方法2004
    • Inventor(s)
      中原勝, 松林伸幸, 若井千尋, 吉田健
    • Industrial Property Number
      2004-108287
    • Filing Date
      2004-03-03
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Patent] グリコール酸の製造方法2003
    • Inventor(s)
      中原勝, 松林伸幸, 若井千尋
    • Industrial Property Number
      2003-386814
    • Filing Date
      2003-11-17
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Patent] 高温高勾配磁場NMRプローブの改良2003
    • Inventor(s)
      中原勝, 松林伸幸, 若井千尋, 池田武義
    • Industrial Property Number
      2003-305999
    • Filing Date
      2003-08-29
    • Description
      「研究成果報告書概要(和文)」より
    • Data Source
      KAKENHI-PROJECT-15205004

  • [Presentation] Exploring diverse classes of solvation through endpoint density-functional for free energy2020
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      American Chemical Society National Meetings & Expositions
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Presentation] エネルギー表示溶液理論の開発とソフト分子集合系への応用2019
    • Author(s)
      松林 伸幸
    • Organizer
      日本化学会 第99春季年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Energetics of Cosolvent Effect on Structure Formation of Biomolecule Studied through Variational Principle2019
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      10th Toyota RIKEN International Workshop on Science of Life Phenomena Woven by Water and Biomolecules
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Presentation] エネルギー表示溶液理論の開発とその応用展開2019
    • Author(s)
      松林 伸幸
    • Organizer
      ダイセル講演会
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] メゾ不均一溶液における疎水溶質の溶解性と拡散性のMDによる解析2019
    • Author(s)
      原 健太、石井 良樹、松林 伸幸
    • Organizer
      化学工学会 第84年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションを用いたアミロイドβ凝集の構造と自由エネルギー解析2019
    • Author(s)
      新田 孝志、増谷 佳一、松林 伸幸
    • Organizer
      化学工学会 第84年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒効果を取り入れた分子動力学シミュレーションによる結晶界面への分子吸着のエネルギー論2019
    • Author(s)
      山本 直樹、松林 伸幸
    • Organizer
      日本化学会 第99春季年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] ジペプチドの構造変化を記述する反応座標とコミッター2019
    • Author(s)
      森 勇介、岡崎 圭一、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 第74回年次大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 固液界面への吸着の平衡と速度に関する分子動力学シミュレーションを用いた研究2019
    • Author(s)
      山本 直樹、松林 伸幸
    • Organizer
      化学工学会 第84年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 多元溶液系における輸送ダイナミクスの全原子解析2019
    • Author(s)
      石井 良樹、松林 伸幸
    • Organizer
      ESICB電池・電子論合同検討会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 第一原理DFT計算を用いて構築したイオン液体の非分極力場：開発と輸送物性への応用2019
    • Author(s)
      石井 良樹、石塚 良介、松林 伸幸
    • Organizer
      日本化学会 第99春季年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 高効率な二成分長鎖高分子溶融体の相溶性評価手法の開発2019
    • Author(s)
      山田 一雄、松林 伸幸
    • Organizer
      日本物理学会 第74回年次大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] メゾ不均一溶液における疎水性溶質の溶解性と拡散性のMDシミュレーションにおける解析2019
    • Author(s)
      原 健太、石井 良樹、松林 伸幸
    • Organizer
      日本化学会 第99春季年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] アミロイドb凝集に関する構造および自由エネルギーの分子動力学シミュレーションを用いた解析2019
    • Author(s)
      新田 孝志、増谷 佳一、松林 伸幸
    • Organizer
      日本化学会 第99春季年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] All-Atom Simulation of Polymer toward Rational Design of Separation Membrane2019
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      The 5th International Conference on Molecular Simulation
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Presentation] 粗視化分子動力学シミュレーションを用いた高分子溶融体の振動状態密度解析2019
    • Author(s)
      友重 直也、水野 英如、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 第74回年次大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] イオン液体の輸送特性解析に最適化した分子動力学モデルの開発2019
    • Author(s)
      石井 良樹、石塚 良介、松林 伸幸
    • Organizer
      化学工学会 第84年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 自由エネルギー解析によるポリマー/水界面へのアミノ酸アナログの吸着能評価2019
    • Author(s)
      八十島 亘宏、松林 伸幸
    • Organizer
      化学工学会 第84年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 生体分子の凝集に対する共溶媒効果の全原子解析2019
    • Author(s)
      松林 伸幸
    • Organizer
      「水和とATP エネルギー」研究会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒和概念の普遍化に基づくソフト分子集合系の物質分配機能の解析2019
    • Author(s)
      松林 伸幸
    • Organizer
      新潟大学 理学部 コロキウム
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] ポリマー/水界面へのアミノ酸アナログの吸着の自由エネルギー解析2019
    • Author(s)
      八十島 亘宏、松林 伸幸
    • Organizer
      日本化学会 第99春季年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Exploring Diverse Classes of Partitioning through Extended Concept of Solvation2019
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      1st UCD-COE/OU-ES Joint Symposium on Chemical Engineering Science
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-19H04206

  • [Presentation] 分子動力学計算による応力計算を用いた界面の解析（ポスター）2018
    • Author(s)
      木原 健輔、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 高分子/水界面の構造とアミノ酸吸着自由エネルギーの側鎖依存性2018
    • Author(s)
      八十島 亘宏、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] All-atom analysis of adsorption onto a variety of crystal surfaces using MD simulation with explicit solvent2018
    • Author(s)
      Naoki Yamamoto and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] ナノ流体の流体力学半径に対する溶媒和構造による特徴付け2018
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 2018年秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] How do hydrogen bonds break in supercooled water? : Detecting pathways not going through the saddle point of two‐ dimensional potential of mean force2018
    • Author(s)
      Takuma Kikutsuji, Kang Kim, and Nobuyuki Matubayasi
    • Organizer
      Designer Soft Matter 2018
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Molecular dynamics simulation of water sorbed to poly(2-methoxyethyl acrylate)2018
    • Author(s)
      Nobuhiro Yasoshima, Nobuyuki Matubayasi, Makoto Gemmei-Ide, and Tatsuya Ishiyama
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Intermolecular interaction of water and polytetrafluoroethylene (PTFE) analyzed by molecular dynamics simulation and a theory of solutions2018
    • Author(s)
      Kensuke Kihara and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] メゾスケールの過渡的凝集体を形成する3成分溶媒における疎水溶質の溶解性と拡散性2018
    • Author(s)
      原 健太、石井 良樹、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒和概念の普遍化に基づくソフト分子集合系の物質分配機能の解析（口頭、招待/依頼）2018
    • Author(s)
      松林 伸幸
    • Organizer
      近畿化学協会コンピュータ化学部会公開講演会（第101回例会）
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒中フラーレンの全分子動力学シミュレーション:ダイナミクスと溶媒和自由エネルギー（ポスター）2018
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Connecting hydrogen-bond network rearrangements and diffusional molecular motions in supercooled water2018
    • Author(s)
      Takuma Kikutsuji, Kang Kim, and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒中ナノ粒子の流体力学挙動と溶媒和構造：物理化学と流体力学の融合による横断的解析2018
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Development of efficient calculation method of long-polymer chain’s chemical potential and its application2018
    • Author(s)
      Kazuo Yamada and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 「溶ける／溶けない」から探るソフト分子集合系の物質分配機能2018
    • Author(s)
      松林 伸幸
    • Organizer
      公益社団法人高分子学会 高分子同友会 関西勉強会
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションによる βシート凝集の構造と自由エネルギーの解析（ポスター）2018
    • Author(s)
      増谷 佳一、山守 優、金 鋼、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 長鎖高分子化学ポテンシャルの効率的な計算手法開発とその応用2018
    • Author(s)
      山田 一雄、松林 伸幸
    • Organizer
      日本物理学会 2018年秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションによるアミロイドβ凝集の構造およびエネルギー解析2018
    • Author(s)
      新田 孝志、増谷 佳一、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 結晶界面への分子吸着に対して溶媒が及ぼす効果のエネルギー論2018
    • Author(s)
      山本 直樹、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Extended concept of solvation toward unified treatment of binding functions of molecular aggregates2018
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      33rd Computational Materials Design (CMD) Workshop
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 過冷却水中の並進・回転運動デカップリングの解析:水素結合破断による特徴付け（ポスター）2018
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Analysis of solubility and diffusivity in ternary solution with mesoscale inhomogeneity by molecular dynamics simulation2018
    • Author(s)
      Kenta Hara, Yoshiki Ishii, Seishi Shimizu, and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒中フラーレンの全分子動力学シミュレーション：ダイナミクスと溶媒和自由エネルギー（口頭）2018
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 第73回年次大会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] ジペプチドの構造変化における反応経路と反応座標2018
    • Author(s)
      森 勇介、金 鋼、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶液中ナノ粒子の流体力学的挙動と溶媒和構造：物理化学と流体力学の横断的解析2018
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      第8回ソフトマター研究会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Molecular dynamics study of water structure in contact with PMEA2018
    • Author(s)
      Nobuhiro Yasoshima, Nobuyuki Matubayasi, Makoto Gemmei-Ide, and Tatsuya Ishiyama
    • Organizer
      International Symposium on Water on Materials Surface 2018 (WMS 2018)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] イミダゾリウム系イオン液体における輸送係数とナノ相分離の計算評価（口頭）2018
    • Author(s)
      石井 良樹、石塚 良介、松林 伸幸
    • Organizer
      電気化学会第85回大会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] MDシミュレーションを用いたβシート凝集の自由エネルギー解析（口頭）2018
    • Author(s)
      増谷 佳一、山守 優、金 鋼、松林 伸幸
    • Organizer
      日本化学会 第98春季年会 （2018）
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] メゾ不均一溶媒を用いた新規可溶化システムの探索2018
    • Author(s)
      原 健太、石井 良樹、松林 伸幸
    • Organizer
      化学工学会 第50回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Transport properties of ionic liquids with advanced non-polarizable force fields based on first-principles calculations2018
    • Author(s)
      Yoshiki Ishii, Ryosuke Ishizuka, and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションによるβシート凝集の自由エネルギー解析2018
    • Author(s)
      増谷 佳一、山守 優、金 鋼、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒和自由エネルギー解析における空間分割法の導入2018
    • Author(s)
      北村 美玖、石井 良樹、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションを用いた長鎖高分子化学ポテンシャルの効率的な計算手法の開発2018
    • Author(s)
      山田 一雄、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] メゾ不均一性をもつ3成分系とミセル系の溶解性と拡散性の比較2018
    • Author(s)
      原 健太、石井 良樹、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 動的不均一性から探る過冷却水に内在する協調的運動2018
    • Author(s)
      菊辻 卓真、川崎 猛史、金 鋼、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 粗視化分子動力学シミュレーションを用いた高分子溶融体のガラス転移温度の解析2018
    • Author(s)
      友重 直也、金 鋼、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] MDシミュレーションを用いたβシート凝集の自由エネルギー解析（口頭）2018
    • Author(s)
      増谷 佳一、山守 優、金 鋼、松林 伸幸
    • Organizer
      日本化学会 第98春季年会 （2018）
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] ジペプチドの構造変化を記述する反応座標の選択2018
    • Author(s)
      森 勇介、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 2018年秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 自由エネルギー曲面の鞍点を通らない反応経路の検出：水中における水素結合破断の非アレニウス的挙動2018
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 大規模分子シミュレーションと溶液理論の融合によるソフト分子集合系の自由エネルギー解析2018
    • Author(s)
      松林 伸幸
    • Organizer
      第6回材料系ワークショップ ～大規模シミュレーションと機械学習の新展開～
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒和概念の普遍化に基づくソフト分子集合系の物質分配機能の解析（口頭、招待/依頼）2018
    • Author(s)
      松林 伸幸
    • Organizer
      第1回近畿大学生物理工学部HPCシンポジウム「HPCシステムを使った生命科学 --分子スケールから細胞に向けて--」
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 高分子粗視化モデルにおけるガラス転移点でのセグメント密度2018
    • Author(s)
      友重 直也、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 2018年秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒効果を取り入れた結晶界面への分子吸着の分子動力学シミュレーションによる解析2018
    • Author(s)
      山本 直樹、松林 伸幸
    • Organizer
      化学工学会 第50回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Kinetic pathways of hydrogen bonds break in supercooled water2018
    • Author(s)
      Kang Kim, Takuma Kikutsuji, and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションを用いたアミロイドβ凝集に関する構造および自由エネルギー解析2018
    • Author(s)
      新田 孝志、増谷 佳一、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 粗視化分子動力学シミュレーションを用いた高分子溶融体のガラス転移温度の解析2018
    • Author(s)
      友重 直也、金 鋼、松林 伸幸
    • Organizer
      第8回ソフトマター研究会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] コミッター解析を用いたジペプチドの構造異性化を記述する反応座標の選択に関する考察2018
    • Author(s)
      森 勇介、金 鋼、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションによる βシート凝集の構造と自由エネルギーの解析（ポスター）2018
    • Author(s)
      増谷 佳一、山守 優、金 鋼、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 溶媒和概念の普遍化に基づくソフト分子集合系の物質分配機能の解析（口頭、招待/依頼）2018
    • Author(s)
      松林 伸幸
    • Organizer
      第1回近畿大学生物理工学部HPCシンポジウム「HPCシステムを使った生命科学 --分子スケールから細胞に向けて--」
    • Invited
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 様々なポリマー系における吸水能の自由エネルギー解析（口頭）2018
    • Author(s)
      半田 和也、松林 伸幸
    • Organizer
      日本化学会 第98春季年会 （2018）
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 溶媒和概念の普遍化に基づくソフト分子集合系の物質分配機能の解析2018
    • Author(s)
      松林 伸幸
    • Organizer
      岡山大学 大学院自然科学研究科 講演会
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒中フラーレンの全分子動力学シミュレーション：ダイナミクスと溶媒和自由エネルギー（口頭）2018
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 第73回年次大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] オーダーN法を用いたMD/DFT自己無撞着法による分子力場構築2018
    • Author(s)
      石塚 良介、尾崎 泰助、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションと溶液理論による水とポリテトラフルオロエチレン（PTFE）の分子間相互作用の解析2018
    • Author(s)
      木原 健輔、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒和概念の普遍化に基づくソフト分子集合系の物質分配機能の解析（口頭、招待/依頼）2018
    • Author(s)
      松林 伸幸
    • Organizer
      近畿化学協会コンピュータ化学部会公開講演会（第101回例会）
    • Invited
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 過冷却水中の並進・回転運動デカップリングの解析：水素結合破断による特徴付け（口頭）2018
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 第73回年次大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Polymer as a Medium for Water Absorption: All-Atom Analysis toward Rational Design2018
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Hong Kong-Osaka University 2nd Joint Symposium on Materials Research
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 遷移状態理論から解析する過冷却水中における水素結合破断：透過係数の温度依存性と活性化エネルギーの物理的実態2018
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      第12回分子科学討論会 2018福岡
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] MDシミュレーションを用いたβシート凝集の自由エネルギー解析2018
    • Author(s)
      増谷 佳一、山守 優、金 鋼、松林 伸幸
    • Organizer
      第21回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 様々なポリマー系における吸水能の自由エネルギー解析（口頭）2018
    • Author(s)
      半田 和也、松林 伸幸
    • Organizer
      日本化学会 第98春季年会 （2018）
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒効果を取り入れた結晶界面への分子吸着の解析2018
    • Author(s)
      山本 直樹、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションを用いたポリマー系における吸水能の自由エネルギー解析2018
    • Author(s)
      半田 和也、山田 一雄、松林 伸幸
    • Organizer
      化学工学会 第50回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] ナノ粒子が示す流体力学的挙動の全原子分子シミュレーションによる解析2018
    • Author(s)
      金 鋼、水田 圭亮、石井 良樹、松林 伸幸
    • Organizer
      日本流体力学会 年会2018
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 全原子MDシミュレーションを用いた長鎖高分子の化学ポテンシャル評価の開発2018
    • Author(s)
      山田 一雄、松林 伸幸
    • Organizer
      H30年度 ポスト「京」重点課題（７） 第3回CDMSI研究会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Free-energy analysis of water absorption in polymer systems with branched structures2018
    • Author(s)
      Kazuya Handa, Kazuo Yamada, and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Molecular-level analysis of work of adhesion through molecular dynamics simulation（ポスター）2018
    • Author(s)
      木原 健輔、松林 伸幸
    • Organizer
      日本化学会 第98春季年会 （2018）
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 分子動力学シミュレーションを用いた高分子における吸水能のエネルギー解析2018
    • Author(s)
      半田 和也、山田 一雄、小嶋 秀和、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Effective charge of ionic liquid determined through MD/DFT self-consistent scheme2018
    • Author(s)
      Ryosuke Ishizuka and Nobuyuki Matubayasi
    • Organizer
      8th International Symposium on Molecular Thermodynamics and Molecular Simulation (MTMS '18)
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学計算による応力計算を用いた界面の解析（ポスター）2018
    • Author(s)
      木原 健輔、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 様々なポリマー系における吸水能の自由エネルギー解析（ポスター）2018
    • Author(s)
      半田 和也、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 様々なポリマー系における吸水能の自由エネルギー解析（ポスター）2018
    • Author(s)
      半田 和也、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Free energy analysis of b-sheet aggregation by molecular dynamics simulation2018
    • Author(s)
      Keiichi Masutani, Yu Yamamori, Kang Kim, and Nobuyuki Matubayasi
    • Organizer
      CBI学会2018年大会
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Development of calculation method of chemical potential for long-chain polymer melt using all-atom molecular dynamics simulation2018
    • Author(s)
      Kazuo Yamada and Nobuyuki Matubayasi
    • Organizer
      ポスト「京」重点課題（７） 「次世代の産業を支える新機能デバイス・ 高性能材料の創成(CDMSI）」第4回シンポジウム
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Bl_chl 電荷解析とForce Fitting 法を用いたイオン液体の非分極力場の開発2018
    • Author(s)
      石井 良樹、石塚 良介、松林 伸幸
    • Organizer
      第32回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 全原子MDシミュレーションを用いた長鎖高分子化学ポテンシャルの効率的な計算手法開発（口頭）2018
    • Author(s)
      山田 一雄、松林 伸幸
    • Organizer
      日本物理学会 第73回年次大会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 過冷却水中の並進・回転運動デカップリングの解析：水素結合破断による特徴付け（口頭）2018
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 第73回年次大会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] How do hydrogen bonds break in supercooled water?: Detecting pathways not going through the saddle point of two-dimensional potential of mean force2018
    • Author(s)
      Takuma Kikutsuji, Kang Kim, and Nobuyuki Matubayasi
    • Organizer
      Hong Kong-Osaka University 2nd Joint Symposium on Materials Research
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 溶媒中フラーレンの全分子動力学シミュレーション:ダイナミクスと溶媒和自由エネルギー（ポスター）2018
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 分子動力学シミュレーションを用いた長鎖高分子の相溶性評価手法の開発2018
    • Author(s)
      山田 一雄、松林 伸幸
    • Organizer
      化学工学会 第50回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 全原子MDシミュレーションを用いた長鎖高分子化学ポテンシャルの効率的な計算手法開発（口頭）2018
    • Author(s)
      山田 一雄、松林 伸幸
    • Organizer
      日本物理学会 第73回年次大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] イミダゾリウム系イオン液体における輸送係数とナノ相分離の計算評価（口頭）2018
    • Author(s)
      石井 良樹、石塚 良介、松林 伸幸
    • Organizer
      電気化学会第85回大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Molecular-level analysis of work of adhesion through molecular dynamics simulation（ポスター）2018
    • Author(s)
      木原 健輔、松林 伸幸
    • Organizer
      日本化学会 第98春季年会 （2018）
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 過冷却水中の並進・回転運動デカップリングの解析:水素結合破断による特徴付け（ポスター）2018
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      化学工学会 第83年会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] Free energy analysis of amyloid aggregation by molecular dynamics simulation2018
    • Author(s)
      Keiichi Masutani, Yu Yamamori, Kang Kim, and Nobuyuki Matubayasi
    • Organizer
      Joint Conference of lEMLG/JMLG Annual Meeting 2018 and 41th Symposium on Solution Chemistry of Japan "Understanding of Molecular Liquids and Its Extension to New Fields"
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 多元溶液系における輸送ダイナミクスの全原子解析2018
    • Author(s)
      石塚 良介、松林 伸幸
    • Organizer
      ESICB電池・電子論合同検討会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学法による長鎖イミダゾリウムイオン液体の小分子吸収能と輸送物性解析2018
    • Author(s)
      石井 良樹、石塚 良介、松林 伸幸
    • Organizer
      化学工学会 第50回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 多元溶液系における輸送ダイナミクスの全原子解析（ポスター）2017
    • Author(s)
      松林 伸幸、石塚 良介、TU Kai-Min
    • Organizer
      ESICB電池・電子論合同検討会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] Protein-protein complex structure prediction using the solution theory in the energy representation（ポスター）2017
    • Author(s)
      Kazuhiro Takemura, Nobuyuki Matubayasi, and Akio Kitao
    • Organizer
      新学術領域研究「柔らかな分子系」 国際シンポジウム（第5回公開シンポジウム）
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 全原子型分子動力学シミュレーションによるナノ空孔への樹脂の充填挙動の解析（ポスター）2017
    • Author(s)
      森 穂高、松林 伸幸
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 多元溶液系における輸送ダイナミクスの全原子解析（ポスター）2017
    • Author(s)
      松林 伸幸、石塚 良介、TU Kai-Min
    • Organizer
      ESICB電池・電子論合同検討会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Polymer as Energy-Saving Medium for Water Absorption: All-Atom Analysis toward Rational Design（口頭、招待/依頼）2017
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      International Association for the Properties of Water and Steam, 2017 Annual Meeting
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] Mixed-solvent effect on protein configuration studied by all-atom computation of free energy（口頭、招待/依頼）2017
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      第55回日本生物物理学会年会
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分岐構造を持つポリマー系における吸水能の自由エネルギー解析（口頭）2017
    • Author(s)
      半田 和也、松林 伸幸
    • Organizer
      化学工学会 第49回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分岐構造を持つポリマー系における吸水能の自由エネルギー解析2017
    • Author(s)
      半田 和也、松林 伸幸
    • Organizer
      第20回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 自由エネルギー計算（口頭、招待/依頼）2017
    • Author(s)
      松林 伸幸
    • Organizer
      「第11回分子シミュレーションスクール－基礎から応用まで－」「ポスト「京」重点課題5　分子シミュレーション」「計算物質科学人材育成コンソーシアム　分子シミュレーションスクール」
    • Invited
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] ナノスケールフラーレンが示す流体力学的挙動の分子シミュレーションによる解析（口頭）2017
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 2017年秋季大会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 生体関連分子のAOT逆ミセル内への導入の自由エネルギー解析（ポスター）2017
    • Author(s)
      長尾 昌洋、石塚 良介、松林 伸幸
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 分子動力学を用いた固液界面における分子吸着の自由エネルギー解析（口頭）2017
    • Author(s)
      中久木 一平、石塚 良介、松林 伸幸
    • Organizer
      化学工学会 第49回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Mixed-solvent effect on protein configuration studied by all-atom computation of free energy2017
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Frontiers in Computational Biophysics and Biochemistry
    • Place of Presentation
      理研融合連携イノベーション推進棟（神戸市中央区）
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 全原子MDと溶液理論によるソフト分子集合系の物質分配機能の解析（ポスター）2017
    • Author(s)
      松林 伸幸
    • Organizer
      第4回「京」を中核とするHPCIシステム利用研究課題 成果報告会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] Mixed-solvent effect on protein configuration studied by all-atom computation of free energy2017
    • Author(s)
      Nobuyuki Matubayasi
    • Organizer
      Frontiers in Computational Biophysics and Biochemistry
    • Place of Presentation
      理研融合連携イノベーション推進棟（神戸市中央区）
    • Invited / Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Free energy analysis of b-sheet aggregation by molecular dynamics simulation（ポスター）2017
    • Author(s)
      Keiichi Masutani, Kang Kim, and Nobuyuki Matubayasi
    • Organizer
      第55回日本生物物理学会年会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 蛋白質の天然構造と熱変性構造の安定性に関する相互作用成分解析（ポスター）2017
    • Author(s)
      徳永 好彦、山守 優、石塚 良介、松林 伸幸
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 蛋白質安定性と熱変性に関する相互作用成分解析（ポスター）2017
    • Author(s)
      徳永 好彦、山守 優、石塚 良介、松林 伸幸
    • Organizer
      第17回日本蛋白質科学会年会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Hydrogen-bond network breakages in supercooled water: Decoupling between rotational and translational motions（ポスター）2017
    • Author(s)
      Takuma Kikutsuji, Kang Kim, and Nobuyuki Matubayasi
    • Organizer
      新学術領域研究「柔らかな分子系」 国際シンポジウム（第5回公開シンポジウム）
    • Int'l Joint Research
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 全原子型分子動力学シミュレーションによるナノ空孔への樹脂の充填挙動の解析（ポスター）2017
    • Author(s)
      森 穂高、松林 伸幸
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 分子動力学シミュレーションを用いた応力計算による界面付着仕事の解析（ポスター）2017
    • Author(s)
      木原 健輔、松林 伸幸
    • Organizer
      化学工学会 第49回秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] Bl_chl電荷解析による分極力場構築法の検討（ポスター）2017
    • Author(s)
      石井 良樹、石塚 良介、松林 伸幸
    • Organizer
      第31回分子シミュレーション討論会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 過冷却水中の水素結合が形成するネットワーク構造と破断プロセスの関係（口頭）2017
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 2017年秋季大会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 自由エネルギー計算（口頭、招待/依頼）2017
    • Author(s)
      松林 伸幸
    • Organizer
      「第11回分子シミュレーションスクール－基礎から応用まで－」「ポスト「京」重点課題5　分子シミュレーション」「計算物質科学人材育成コンソーシアム　分子シミュレーションスクール」
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 生体関連分子のAOT逆ミセルへの結合の自由エネルギー解析（ポスター）2017
    • Author(s)
      長尾 昌洋、石塚 良介、松林 伸幸
    • Organizer
      第40回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 過冷却水における水素結合ネットワーク構造と動力学（ポスター）2017
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      第40回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 「溶ける／溶けない」とソフト分子集合系の物質分配機能（口頭，招待/依頼）2017
    • Author(s)
      松林 伸幸
    • Organizer
      一般社団法人 企業研究会 第30期CAMMフォーラム 6月例会本例会
    • Invited
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 尿素およびその誘導体によるタンパク質変性の自由エネルギー解析（ポスター）2017
    • Author(s)
      山守 優、松林 伸幸
    • Organizer
      第40回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 水の過冷却過程における水素結合破断の理論解析：2次元反応座標系で遷移状態理論が破綻する例とその原因の追求（ポスター）2017
    • Author(s)
      菊辻 卓真、金 鋼、松林 伸幸
    • Organizer
      第20回理論化学討論会
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 全原子MDと溶液理論によるソフト分子集合系の物質分配機能の解析（ポスター）2017
    • Author(s)
      松林 伸幸
    • Organizer
      第4回「京」を中核とするHPCIシステム利用研究課題 成果報告会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] イオンの水和エネルギー（２体項・多体項）の空間分布2017
    • Author(s)
      最上譲二, 鈴木　誠, 松林伸幸
    • Organizer
      「水和とＡＴＰエネルギー」研究会
    • Place of Presentation
      仙台, ホテル華の湯
    • Year and Date
      2017-03-05
    • Data Source
      KAKENHI-PROJECT-16K13860

  • [Presentation] ナノスケールフラーレンが示す流体力学的挙動の分子シミュレーションによる解析（口頭）2017
    • Author(s)
      水田 圭亮、石井 良樹、金 鋼、松林 伸幸
    • Organizer
      日本物理学会 2017年秋季大会
    • Data Source
      KAKENHI-PROJECT-15K13550

  • [Presentation] 分子動力学シミュレーションによるβシート凝集の構造および自由エネルギー解析（ポスター）2017
    • Author(s)
      増谷 佳一、金 鋼、松林 伸幸
    • Organizer
      第40回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 生体関連分子のAOT逆ミセルへの結合の自由エネルギー解析（ポスター）2017
    • Author(s)
      長尾 昌洋、石塚 良介、松林 伸幸
    • Organizer
      第40回溶液化学シンポジウム
    • Data Source
      KAKENHI-PROJECT-26240045

  • [Presentation] 「溶ける／溶けない」から探る分子集合系の機能2017