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MOLECULAR DYNAMICS STUDY OF MECHANISM OF ICE GROWTH INHIBITION BY ANTIFREEZE PROTEINS

Research Project

Project/Area Number 17540385
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeSingle-year Grants
Section一般
Research Field Biophysics/Chemical physics
Research InstitutionNATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (AIST)

Principal Investigator

NADA HIROKI  NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (AIST), RESEARCH INSTITUTE FOR ENVIRONMENTAL MANAGEMENT AND TECHNOLOGY, SENIOR RESEARCHER, 環境管理技術開発部門, 主任研究員 (90357682)

Co-Investigator(Kenkyū-buntansha) FURUKAWA YOSHINOR  HOKKAIDO UNIVERSITY, INTSITUTE OF LOW TEMPERATURE SCIENCE, PROFESSOR, 低温科学研究所, 教授 (20113623)
Project Period (FY) 2005 – 2006
Project Status Completed (Fiscal Year 2006)
Budget Amount *help
¥2,900,000 (Direct Cost: ¥2,900,000)
Fiscal Year 2006: ¥1,000,000 (Direct Cost: ¥1,000,000)
Fiscal Year 2005: ¥1,900,000 (Direct Cost: ¥1,900,000)
KeywordsANTIFREEZE PROTEIN / ICE CRYSTAL / CRYSTAL GROWTH / MOLECULAR DYNAMICS / 不凍糖タンパク質
Research Abstract

THE PURPOSE OF THIS PROJECT WAS TO ELUCIDATE THE MECHANISM OF INHIBITION OF ICE GROWTH BY ANTIFREEZE GLYCOPROTEINS (AFGP) AND ANTIFREEZE PROTEINS (AFP) AT THE MOLECULAR LEVEL. WE CARRIED OUT MOLECULAR DYNAMICS (MD) SIMULATIONS OF ICE-WATER INTERFACES IN THE PRESENCE OF AFPS. THE SIMULATIONS WERE CARRIED OUT FOR THE INTERFACES OF PYRAMIDAL {2021} AND PRISMATIC (1010) PLANES OF ICE.
SIMULATION RESULTS CLEARLY INDICATED THAT, DURING THE GROWTH OF ICE ON THE INTERFACE, THE AFP WAS PARTLY VARIED INTO THE GROWING ICE. THE INHIBITION OF ICE GROWTH OCCURRED ONLY ON THE PYRAMIDAL PLANE, WHEN THE AFP WAS ALIGNED ALONG THE <0112> VECTOR. THE INHIBITION OF ICE GROWTH WAS DUE TO THE GIBBS-THOMSON EFFECT, I.E., THE MELTING POINT DEPRESSION AT CURVED INTERFACES OF ICE, WHICH WAS CAUSED BY THE STABLE LOCALIZATION OF THE AFP. THE STABLE LOCALIZATION OF THE AFP ORIGINATED FROM THE THREE-DIMENSIONAL FIT OF THE AFP TO THE SURROUNDING ICE.
IN ADDITION, WE ALSO CARRIED OUT AN EXPERIMENT STUDY OF ICE GROWTH IN THE PRESENCE OF AFGPS. THE RESULTS INDICATED THAT AFGPS INHIBIT THE GROWTH OF PYRAMIDAL PLANES OF ICE. THE AFPS ALSO INHIBIT THE GROWTH OF PYRAMIDAL PLANES OF ICE. THEREFORE, WE CONCLUDE THAT THE MECHANISM OF INHIBITION OF ICE GROWTH BY THE AFGPS IS ESSENTIALLY THE SAME AS THE MECHANISM FOR THE AFPS, WHICH WAS ELUCIDATED BY THE PRESENT MD SIMULATIONS.

Report

(3 results)
  • 2006 Annual Research Report   Final Research Report Summary
  • 2005 Annual Research Report
  • Research Products

    (23 results)

All 2007 2006 2005

All Journal Article (23 results)

  • [Journal Article] Growth kinetics on interfaces between a {20-21} plane of ice and water investigated by molecular dynamics simulation2007

    • Author(s)
      灘 浩樹
    • Journal Title

      Physics and Chemistry of Ice (Royal Society of Chemistry)

      Pages: 443-443

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Mechanism of cage formation during growth of CH4 and Xe clathrate hydrates : a molecular dynamics study2007

    • Author(s)
      灘 浩樹
    • Journal Title

      Physics and Chemistry of Ice (Royal Society of Chemistry)

      Pages: 435-435

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] 氷とガスハイドレートの結晶成長過程 : 分子動力学シミュレーション研究2007

    • Author(s)
      灘 浩樹
    • Journal Title

      真空 50・4

      Pages: 276-276

    • NAID

      130000099465

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Diffusion, incorporation and segregation of antifreeze glycoproteins at the ice/solution interface2007

    • Author(s)
      Salvador Zepeda
    • Journal Title

      Physics and Chemistry of Ice (Royal Society of Chemistry)

      Pages: 669-669

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] The temperature gradient metamorphism of snow : model first validations using x-ray microtomographic images2007

    • Author(s)
      Frederic Flin
    • Journal Title

      Physics and Chemistry of Ice (Royal Society of Chemistry)

      Pages: 181-181

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] GROWTH PROCESSES OF ICE AND GAS CLATHRATE HYDRATES : MOLECULAR DYNAMICS SIMULATION STUDIES2007

    • Author(s)
      H.NADA
    • Journal Title

      JOURNAL OF VACUUM SOCIETY OF JAPAN 50

      Pages: 276-281

    • NAID

      130000099465

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Growth kinetics on interfaces between a {20-21} plane of ice and water investigated by molecular dynamics simulation2007

    • Author(s)
      灘 裕樹
    • Journal Title

      Physics and Chemistry of Ice (Royal Society of Chemistry)

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Mechanism of cage formation during growth of CH4 and Xe clathrate hydrates : a molecular dynamics study2007

    • Author(s)
      灘 裕樹
    • Journal Title

      Physics and Chemistry of Ice (Royal Society of Chemistry)

    • Related Report
      2006 Annual Research Report
  • [Journal Article] 氷とガスハイドレートの結晶成長過程:分子動力学シミュレーション研究2007

    • Author(s)
      灘 裕樹
    • Journal Title

      真空 50

    • NAID

      130000099465

    • Related Report
      2006 Annual Research Report
  • [Journal Article] Growth mechanism of a gas clathrate hydrate from a dilute aqueous gas solution : a molecular dynamics simulation of a three-phase system2006

    • Author(s)
      灘 浩樹
    • Journal Title

      The Journal of Physical Chemistry B1l0・33

      Pages: 16526-16526

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] 氷の結晶成長に関する分子シミュレーション研究2006

    • Author(s)
      灘 浩樹
    • Journal Title

      日本結晶成長学会誌 33・1

      Pages: 59-59

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] 氷の結晶成長機構を探る : 新しい水分子モデルの開発と分子動力学シミュレーション2006

    • Author(s)
      灘 浩樹
    • Journal Title

      低温科学 64

      Pages: 77-77

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] GROWTH MECHANISM OF A GAS CLATHRATE HYDRATE FROM A DILUTE AQUEOUS GAS SOLUTION : A MOLECULAR DYNAMICS SIMULATION OF A THREE-PHASE SYSTEM2006

    • Author(s)
      H.NADA
    • Journal Title

      THE JOURNAL OF PHYSICAL CHEMISTRY B110

      Pages: 16526-16534

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] MOLECULAR DYNAMICS SIMULATION STUDIES ON CRYSTAL GROWTH OF ICE2006

    • Author(s)
      H.NADA
    • Journal Title

      JOURNAL OF JAPAN ASSOCIATION OF CRYSTAL GROWTH 33

      Pages: 59-66

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] COMPUTER SIMULATION STUDIES ON THE GROWTH KINETICS OF ICE : DEVELOPMENT OF A NEW H2O POTENTIAL MODEL AND MOLECULAR DYNAMICS SIMULATIONS2006

    • Author(s)
      H.NADA, J.P.VAN DER EERDEN, Y.FURUKAWA
    • Journal Title

      LOW TEMPERATURE SCIENCE 77-87

      Pages: 64-64

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Growth mechanism of a gas clathrate from a dilute aqueous gas solution : a molecular dynamics simulation of a three-phase system2006

    • Author(s)
      灘 裕樹
    • Journal Title

      The Journal of Physical Chemistry B110・33

      Pages: 16526-16526

    • Related Report
      2006 Annual Research Report
  • [Journal Article] 氷の結晶成長に関する分子動力学シミュレーション研究2006

    • Author(s)
      灘 浩樹
    • Journal Title

      日本結晶成長学会誌 33巻・1号

      Pages: 59-66

    • Related Report
      2005 Annual Research Report
  • [Journal Article] Anisotropy in growth kinetics at interfaces between proton-disordered hexagonal ice and water : a molecular dynamics study using the six-site model of H_2O2005

    • Author(s)
      灘 浩樹
    • Journal Title

      Journal of Crystal Growth 283・1-2

      Pages: 242-242

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] 氷点下でも凍らない魚-不凍タンパク質が氷の結晶成長を支配する-2005

    • Author(s)
      古川 義純
    • Journal Title

      バイオニクス 3

      Pages: 64-64

    • NAID

      10016160756

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] Growth patterns and interfacial kinetic supercooling at ice/water interfaces at which anti-freeze glycoprotein molecules are adsorbed2005

    • Author(s)
      古川 義純
    • Journal Title

      Journal of Crystal Growth 275

      Pages: 167-167

    • Description
      「研究成果報告書概要(和文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] ANISOTROPY IN GROWTH KINETICS AT INTERFACES BETWEEN PROTON-DISORDERED ICE AND WATER : A MOLECULAR DYNAMICS STUDY USING THE SIX-SITE MODEL OF H2O2005

    • Author(s)
      H.NADAAND, Y.FURUKAWA
    • Journal Title

      JOURNAL OF CRYSTAL GROWTH 283

      Pages: 242-256

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] UNFROZEN FISHES AT TEMPERATURES BELOW THE FREEZING POINT OF WATER : DOMINATION OF CRYSTAL GROWTH OF ICE BY ANTIFREEZE PROTEINS2005

    • Author(s)
      Y.FURUKAWA
    • Journal Title

      BIONICS 3

      Pages: 56-58

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary
  • [Journal Article] GROWTH PATTERNS AND INTERFACIAL KINETIC SUPERCOOLING AT ICE/WATER INTERFACES AT WHICH ANTI-FREEZE GLYCO-PROTEIN MOLECULES ARE ADSORBED2005

    • Author(s)
      Y.FURUKAWA, N.INOHARA, E.YOKOYAMA
    • Journal Title

      JOURNAL OF CRYSTAL GROWTH 275

      Pages: 167-174

    • Description
      「研究成果報告書概要(欧文)」より
    • Related Report
      2006 Final Research Report Summary

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Published: 2005-04-01   Modified: 2016-04-21  

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