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Theoretical study on the mechanism of light energy transfer in photosynthetic systems

Research Project

Project/Area Number 17K05757
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Physical chemistry
Research InstitutionKyoto University (2018-2020)
University of the Ryukyus (2017)

Principal Investigator

Masahiro Higashi  京都大学, 工学研究科, 准教授 (20611479)

Project Period (FY) 2017-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥4,810,000 (Direct Cost: ¥3,700,000、Indirect Cost: ¥1,110,000)
Fiscal Year 2020: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2019: ¥780,000 (Direct Cost: ¥600,000、Indirect Cost: ¥180,000)
Fiscal Year 2018: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2017: ¥1,690,000 (Direct Cost: ¥1,300,000、Indirect Cost: ¥390,000)
Keywords光捕集アンテナ / 励起エネルギー移動 / 分子シミュレーション / 光合成色素 / 光捕集複合体 / 理論解析 / LH2 / バクテリオクロロフィル / FMOタンパク / 光合成 / 光エネルギー伝達 / 理論計算
Outline of Final Research Achievements

The purpose of this study is to clarify the correlation between the light energy transfer function of the light-harvesting antenna and the protein structure and fluctuation by utilizing our original method. First, the excitation energies of the pigments in the light-harvesting antenna and the excitonic couplings between the pigments were analyzed, and the calculated results were in good agreement with the experimental results. The analysis of the light energy transfer dynamics revealed that the energy transfer is accelerated by the difference in the excitation energy fluctuations of the pigments located in different protein environments. The relaxation process of photosynthetic pigment from highly excited states was also analyzed, and it was found that ligands play an important role.

Academic Significance and Societal Importance of the Research Achievements

本研究では、光捕集アンテナが内部に含まれる色素の励起エネルギーの揺らぎを最適化することで効率的なエネルギー伝達を実現していることを明らかにした。さらに、極低温よりも室温で揺らぎを最適化していることも明らかにしている。これらの研究成果は、これまで解析が困難だった揺らぎの役割を初めて明らかにしたものであり、学術的意義は大きいと考えられる。今後、本研究で得られた成果が人工光合成や太陽電池などの分子設計の指針となることも期待される。

Report

(5 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Research-status Report
  • 2018 Research-status Report
  • 2017 Research-status Report
  • Research Products

    (31 results)

All 2021 2020 2019 2018 2017 Other

All Int'l Joint Research (1 results) Journal Article (10 results) (of which Int'l Joint Research: 4 results,  Peer Reviewed: 10 results,  Open Access: 5 results) Presentation (20 results) (of which Int'l Joint Research: 7 results,  Invited: 12 results)

  • [Int'l Joint Research] Universitat de Valencia(スペイン)

    • Related Report
      2018 Research-status Report
  • [Journal Article] Kabirimine, a New Cyclic Imine from an Okinawan Dinoflagellate2019

    • Author(s)
      Hermawan Idam、Higa Mikako、Hutabarat Philipus Uli Basa、Fujiwara Takeshi、Akiyama Kiyotaka、Kanamoto Akihiko、Haruyama Takahiro、Kobayashi Nobuyuki、Higashi Masahiro、Suda Shoichiro、Tanaka Junichi
    • Journal Title

      Marine Drugs

      Volume: 17 Issue: 6 Pages: 353-353

    • DOI

      10.3390/md17060353

    • NAID

      120006782210

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Effects of Water Addition on a Catalytic Fluorination of Dienamine2019

    • Author(s)
      Kuraoku Daiki、Yonamine Tsunaki、Koja Genta、Yoshida Norio、Arimitsu Satoru、Higashi Masahiro
    • Journal Title

      Molecules

      Volume: 24 Issue: 19 Pages: 3428-3428

    • DOI

      10.3390/molecules24193428

    • NAID

      120006800746

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Site-Dependent Fluctuations Optimize Electronic Energy Transfer in the Fenna?Matthews?Olson Protein2019

    • Author(s)
      Saito Shinji、Higashi Masahiro、Fleming Graham R.
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 123 Issue: 46 Pages: 9762-9772

    • DOI

      10.1021/acs.jpcb.9b07456

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center2018

    • Author(s)
      Fujihashi Yuta、Higashi Masahiro、Ishizaki Akihito
    • Journal Title

      The Journal of Physical Chemistry Letters

      Volume: 9 Issue: 17 Pages: 4921-4929

    • DOI

      10.1021/acs.jpclett.8b02119

    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Vibrational and Molecular Properties of Mg2+ Binding and Ion Selectivity in the Magnesium Channel MgtE2018

    • Author(s)
      Kimura Tetsunari、Lorenz-Fonfria Victor A.、Douki Shintaro、Motoki Hideyoshi、Ishitani Ryuichiro、Nureki Osamu、Higashi Masahiro、Furutani Yuji
    • Journal Title

      The Journal of Physical Chemistry B

      Volume: 122 Issue: 42 Pages: 9681-9696

    • DOI

      10.1021/acs.jpcb.8b07967

    • Related Report
      2018 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Accurate Modeling of Photoexcited States in Photosynthetic Proteins2018

    • Author(s)
      HIGASHI Masahiro
    • Journal Title

      Seibutsu Butsuri

      Volume: 58 Issue: 5 Pages: 270-274

    • DOI

      10.2142/biophys.58.270

    • NAID

      130007492287

    • ISSN
      0582-4052, 1347-4219
    • Related Report
      2018 Research-status Report
    • Peer Reviewed
  • [Journal Article] Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach2018

    • Author(s)
      Yoshida Norio、Higashi Masahiro、Motoki Hideyoshi、Hirota Shun
    • Journal Title

      The Journal of Chemical Physics

      Volume: 148 Issue: 2 Pages: 025102-025102

    • DOI

      10.1063/1.5009785

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Structural properties determining low K+affinity of the selectivity filter in the TWIK1 K+channel2018

    • Author(s)
      Tsukamoto Hisao、Higashi Masahiro、Motoki Hideyoshi、Watanabe Hiroki、Ganser Christian、Nakajo Koichi、Kubo Yoshihiro、Uchihashi Takayuki、Furutani Yuji
    • Journal Title

      Journal of Biological Chemistry

      Volume: 293 Issue: 18 Pages: 6969-6984

    • DOI

      10.1074/jbc.ra118.001817

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric α-Fluorination of α-Branched Enals2017

    • Author(s)
      Arimitsu Satoru、Yonamine Tsunaki、Higashi Masahiro
    • Journal Title

      ACS Catalysis

      Volume: 7 Issue: 7 Pages: 4736-4740

    • DOI

      10.1021/acscatal.7b01178

    • Related Report
      2017 Research-status Report
    • Peer Reviewed
  • [Journal Article] Two Furanosesterterpenoids from the Sponge Luffariella variabilis2017

    • Author(s)
      Ahmadi Peni、Higashi Masahiro、Voogd Nicole J. de、Tanaka Junichi
    • Journal Title

      Marine Drugs

      Volume: 15 Issue: 8 Pages: 249-249

    • DOI

      10.3390/md15080249

    • Related Report
      2017 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Presentation] バクテリオクロロフィルaの励起状態緩和ダイナミクスに配位子が与える効果の解析2021

    • Author(s)
      高林侑示,佐藤啓文,東雅大
    • Organizer
      京都大学福井謙一記念研究センターオンラインシンポジウム
    • Related Report
      2020 Annual Research Report
  • [Presentation] 分子動力学シミュレーションを用いた光捕集複合体LH2の吸収スペクトルの解析2021

    • Author(s)
      薮俊佑,佐藤啓文,東雅大
    • Organizer
      日本化学会第101春季年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] バクテリアクロロフィルaの励起状態緩和ダイナミクスの理論解析2020

    • Author(s)
      高林侑示,東雅大,佐藤啓文
    • Organizer
      分子科学会 オンライン討論会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 凝縮系における光反応ダイナミクスの理論解析2020

    • Author(s)
      東雅大
    • Organizer
      第24回光科学若手研究会
    • Related Report
      2020 Annual Research Report
    • Invited
  • [Presentation] バクテリアクロロフィルaの励起状態緩和過程に関する理論的研究2020

    • Author(s)
      髙林 侑示,東 雅大,佐藤 啓文
    • Organizer
      研究会「凝縮系の理論化学2020」
    • Related Report
      2019 Research-status Report
  • [Presentation] Theoretical study on excitation energy transfer in photosynthetic proteins2019

    • Author(s)
      Masahiro Higashi
    • Organizer
      The 10th Conference of the Asian Consortium on Computational Materials Science
    • Related Report
      2019 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 光合成タンパク質複合体の機能解明を目指して2019

    • Author(s)
      東 雅大
    • Organizer
      QIQBセミナー「量子化学と量子情報・量子生命の接点」
    • Related Report
      2019 Research-status Report
    • Invited
  • [Presentation] Toward a molecular understanding of excitation energy transfer in light-harvesting complexes2019

    • Author(s)
      Masahiro Higashi
    • Organizer
      China-Japan-Korea Workshop on Theoretical & Computational Chemistry
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical study on excited-state reactions in condensed phases2018

    • Author(s)
      Masahiro Higashi
    • Organizer
      The International Conference on Materials Research and Innovation
    • Related Report
      2018 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 凝縮系の励起状態反応ダイナミクスの理論解析2018

    • Author(s)
      東 雅大
    • Organizer
      第3回環境・生体の関わる物理・化学の研究会
    • Related Report
      2018 Research-status Report
    • Invited
  • [Presentation] 高効率ポテンシャル関数生成手法による光捕集複合体中の色素の励起エネルギーの大きさと揺らぎの定量的評価2018

    • Author(s)
      東 雅大,斉藤 真司
    • Organizer
      第21回理論化学討論会
    • Related Report
      2018 Research-status Report
  • [Presentation] 光捕集複合体の励起状態の高精度モデリング2018

    • Author(s)
      東 雅大,斉藤 真司
    • Organizer
      第12回分子科学討論会
    • Related Report
      2018 Research-status Report
  • [Presentation] 凝縮系の励起状態反応ダイナミクスの定量的理解を目指して2018

    • Author(s)
      東雅大
    • Organizer
      第32回量子系分子科学研究セミナー
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] Quantitative evaluation of site energies and their fluctuations of pigments in the light-harvesting complex with an efficient method for generating a potential energy surface2018

    • Author(s)
      Masahiro Higashi, Shinji Saito
    • Organizer
      255 th ACS National Meeting & Exposition
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research
  • [Presentation] Theoretical analysis of regio- and stereoselectivity of new organic reactions2017

    • Author(s)
      Masahiro Higashi
    • Organizer
      International Symposium on Pure & Applied Chemistry 2017
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Theoretical investigation of excited-state reactions and properties in condensed phases2017

    • Author(s)
      Masahiro Higashi
    • Organizer
      國立交通大學應用化學系106年 前瞻跨領域基礎科學中心 尖端生物分子探測 専題演講
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] Toward quantitative understanding of excitation energy transfer in light-harvesting complexes2017

    • Author(s)
      Masahiro Higashi
    • Organizer
      The 9th Conference of the Asian Consortium on Computational Materials Science
    • Related Report
      2017 Research-status Report
    • Int'l Joint Research / Invited
  • [Presentation] 高効率ポテンシャル関数生成手法による光捕集アンテナ中の色素の励起エネルギーの大きさと揺らぎの定量的評価2017

    • Author(s)
      東雅大
    • Organizer
      レア・イベントの計算科学
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] 凝縮系の反応ダイナミクスを記述可能な計算手法の開発と応用2017

    • Author(s)
      東雅大
    • Organizer
      北大理論化学研究会:実践理論化学の最前線
    • Related Report
      2017 Research-status Report
    • Invited
  • [Presentation] シンコナアルカロイド触媒を用いた α,β-不飽和アルデヒドの高立体選択的フッ素化反応に関する理論的研究2017

    • Author(s)
      東雅大,喜屋武茜,亀井翔矢,與那嶺綱希,有光暁
    • Organizer
      第20回理論化学討論会
    • Related Report
      2017 Research-status Report

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Published: 2017-04-28   Modified: 2022-01-27  

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