Research integration on ATP energy

2010 Fiscal Year Self-evaluation Report

• Project Area: Water plays a key role in ATP hydrolysis and ATP-driven functions of proteins
• Project/Area Number: 20118001
• Research Category: Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
• Allocation Type: Single-year Grants
• Review Section: Complex systems
• Research Institution: Tohoku University
• Principal Investigator: SUZUKI Makoto Tohoku University, 大学院・工学研究科, 教授 (60282109)
• Project Period (FY): 2008-11-13 – 2014-03-31
• Keywords: ATPエネルギー / 水和 / 水のエントロピー / 加水分解自由エネルギー

Research Abstract

ATP(アデノシン三リン酸)は生命系のエネルギーの供給と需要の媒体であるが、その有効性の真の理解、すなわち、化学-力学エネルギー変換の分子論は未確立である。本領域は、物質科学と生命科学の両方にまたがる根本課題に取り組む。生命系存続の環境母体である「水」を主役とし、構造論・機能論に立脚した新しいエネルギー論の分子的基盤構築を目指し、既存の概念にとらわれない学際的研究領域を新たに開拓する。このためには、異なる分野の「融合」による新たな方法論の展開と次世代育成が不可欠である。計画研究のほかに幅広い分野からのユニークな公募研究を糾合して、理論的研究と実験的研究とを緊密に組織化して推進している。
基本的な研究戦略:第1に実験と理論でATP等低分子の化学反応前後の物質の水和自由エネルギーを正確に求める。その計算に必要な新たな手法の開発も含む。第2にヌクレオチドと種々のタンパク質の結合の自由エネルギーの内部構成を実験と理論両面から調べる。第3にヌクレオチド加水分解酵素の機能について、水和を含めたエネルギー論の観点で実施する研究を行う。

Research Products

• [Journal Article] Rotation Mechanism of F1-ATPase : Crucial Importance of the Water Entropy Effect (2011)
  • Author(s): T.Yoshidome, Y.Ito, M.Ikeguchi, M.Kinoshita
  • Journal Title: J.Am.Chem.Soc. 133 Pages: 4030-4039
  • Peer Reviewed
• [Journal Article] Hydration property of globular proteins : an analysis of solvation free energy by energy representation method (2011)
  • Author(s): Y.Karino, N.Matubayasi
  • Journal Title: J.Chem.Phys. 134 Pages: 041105
  • Peer Reviewed
• [Journal Article] End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution (2010)
  • Author(s): Y.Karino, M.V.Fedorov, N.Matubayasi
  • Journal Title: Chem.Phys.Lett. 496 Pages: 351
  • Peer Reviewed
• [Journal Article] Entropic Potential Field Formed for a Linear-Motor Protein near a Filament : Statistical Mechanical Analyses Using Simple Models (2010)
  • Author(s): K.Amano, T.Yoshidome, M.Iwaki, M.Suzuki, M.Kinoshita
  • Journal Title: J.Chem.Phys. 133 Pages: 045103
  • Peer Reviewed
• [Journal Article] Hydration properties of adenosine phosphate series as studied by microwave dielectric spectroscopy (2010)
  • Author(s): G.Mogami, T.Wazawa, N.Morimoto, T.Kodama, M.Suzuki
  • Journal Title: Biophys.Chem. 154 Pages: 1-7
  • Peer Reviewed
• [Presentation] Free-Energy Analysis of Biomolecular Solvation in the Energetic Perspective (2010)
  • Author(s): N.Matubayasi
  • Organizer: Gordon Research Conference on Water and Aqueous Solutions
  • Place of Presentation: Holderness, USA
  • Year and Date: 20100808-20100813
• [Presentation] Hydration measurement of salt ions, polyelectrolytes, and proteins in dilute solutions by high resolution dielectric relaxation spectroscopy (2010)
  • Author(s): M.Suzuki
  • Organizer: TRILATERAL SCIENTIFIC SEMINER ON Solvation in Complex Liquids : Bridging Length Scales by Theory and Experiment
  • Place of Presentation: MaxPlanckInstitute, Leipzig, Germany
  • Year and Date: 20100623-20100625
• [Presentation] Brief review and the present understanding of ATP hydrolysis energy (2010)
  • Author(s): M.Sakurai
  • Organizer: International Symposium on Hydration and ATP Energy
  • Place of Presentation: Sendai
  • Year and Date: 20100308-20100310
• [Presentation] Dielectric relaxation spectroscopy analysis of hydration of polyelectrolytes and proteins (2010)
  • Author(s): M.Suzuki
  • Organizer: WORKSHOP SOLVATION OF BIOACTIVE COMPOUNDS
  • Place of Presentation: Max Planck Institute, Leipzig, Germany
  • Year and Date: 20100107-20100109
• [Presentation] Importance of Translational Entropy of Water in Biological Self-Assembly (2009)
  • Author(s): M.Kinoshita
  • Organizer: International Symposium on Multi-Scale Dynamics of Protein Complex Formation and Function, Sanjo Conference Hall
  • Place of Presentation: The University of Tokyo, Japan
  • Year and Date: 20090714-20090716
• [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
  • Total Pages: 283-351
  • Publisher: Academic Press
• [Book] Frontiers in Bioscience(Free-Energy Analysis of Solvation with the Method of Energy Representation)(14) (2009)
  • Author(s): N.Matubayasi
  • Total Pages: 3536-3549
  • Publisher: Frontiers in Bioscience, Inc.
• [Book] Theoretical Studies on Roles of Water in Biological Systems(Roles of Translational Motion of Water Molecules in Sustaining Life, Frontiers in Bioscience)(M.Kinoshita.ed.)(14) (2009)
  • Author(s): M.Kinoshita
  • Total Pages: 3419-3454
  • Publisher: Special Issue