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First-Principles Analysis of Reaction Fields in Nano-Bio Materials

Research Project

Project/Area Number 15K21459
Research Category

Grant-in-Aid for Young Scientists (B)

Allocation TypeMulti-year Fund
Research Field Mathematical physics/Fundamental condensed matter physics
Functional biochemistry
Research InstitutionKanagawa Institute of Technology

Principal Investigator

Katsumasa Kamiya  神奈川工科大学, 基礎・教養教育センター, 准教授 (60436243)

Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥4,030,000 (Direct Cost: ¥3,100,000、Indirect Cost: ¥930,000)
Fiscal Year 2017: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2016: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Fiscal Year 2015: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Keywordsタンパク質の反応場 / ナノ物質の反応場 / ナノ・バイオ系 / 反応場 / 量子論的シミュレーション / 電子状態と原子構造の相関 / プロトン移動
Outline of Final Research Achievements

Reaction filed, or active site, of enzyme has specific properties for its catalyzed reaction. To utilize the enzyme reaction field, the elucidation of reaction mechanisms is inevitable. In this work, we analyzed reactions both in bio-materials and nano-materials by using first-principles calculations. We found that catalytic reaction in enzymes could be driven by interactions between physiological structure and electron motions. We also found that function in nanomaterials could be controlled by charge injection and thermal fluctuation.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (6 results)

All 2018 2017 2016

All Journal Article (4 results) (of which Peer Reviewed: 4 results,  Acknowledgement Compliant: 1 results) Presentation (2 results) (of which Int'l Joint Research: 1 results,  Invited: 1 results)

  • [Journal Article] Possibility of Metal-Oxide-Nitride-Oxide-Semiconductor Memories for Long Lifespan Archive Memories2017

    • Author(s)
      Hiromi Shirakawa, Keita Yamaguchi, Masaaki Araidai, Katsumasa Kamiya, Kenji Shiraisihi
    • Journal Title

      IEICE Transactions on Electronics

      Volume: E100.C Issue: 10 Pages: 928-933

    • DOI

      10.1587/transele.E100.C.928

    • NAID

      130006110273

    • ISSN
      0916-8524, 1745-1353
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Origin of the unidentified positive mobile ions causing the bias temperature instability in SiC MOSFETs and their diffusion process2016

    • Author(s)
      Hiroki Shirakawa, Katsumasa Kamiya, Masaaki Araidai, Heiji Watanabe, and Kenji Shiraishi
    • Journal Title

      Applied Physics Express

      Volume: 9 Issue: 6 Pages: 064301-064301

    • DOI

      10.7567/apex.9.064301

    • NAID

      210000137946

    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Journal Article] Mutations affecting the internal equilibrium of the reaction catalyzed by 6-aminohexanoate-dimer hydrolase2016

    • Author(s)
      Negoro S, Kawashima Y, Shibata N, Kobayashi T, Baba T, Lee YH, Kamiya K, Shigeta Y, Nagai K, Takehara I, Kato D, Takeo M, Higuchi Y
    • Journal Title

      FEBS Lett

      Volume: 590 Issue: 18 Pages: 3133-3143

    • DOI

      10.1002/1873-3468.12354

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Molecular mechanisms of substrate specificities of uridine-cytidine kinase2016

    • Author(s)
      W. Tanaka, M. Shoji, F. Tomoike, Y. Ujiie, K. Hanaoka, R. Harada, M. Kayanuma, K. Kamiya, T. Ishida, R. Masui, S. Kuramitsu, Y. Shigeta
    • Journal Title

      Biophysics and Physicobiology

      Volume: 13 Issue: 0 Pages: 77-84

    • DOI

      10.2142/biophysico.13.0_77

    • NAID

      130005156955

    • ISSN
      2189-4779
    • Related Report
      2016 Research-status Report
    • Peer Reviewed
  • [Presentation] Fundamental Study of Hydrogen Attachment/Abstraction Dissociation (HAD) Tandem Mass Spectrometry by Ab initio Calculation2018

    • Author(s)
      Daiki Asakawa, Hidenori Takahashi, Shinichi Iwamoto, Koichi Tanaka, Katsumasa Kamiya
    • Organizer
      ASMS Sanibel Conference
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 第一原理分子動力学法による酵素反応中心の立体構造の解析2017

    • Author(s)
      神谷克政
    • Organizer
      レア・イベントの計算科学
    • Related Report
      2017 Annual Research Report
    • Invited

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Published: 2015-04-16   Modified: 2019-03-29  

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