Researchers Information System

日本語に切り替えるswitch to english

Higashi, Masahiro

Graduate School of Engineering, Division of Molecular Engineering Associate Professor

Higashi, Masahiro
list
    Last Updated :2022/05/14

    Basic Information

    Faculty

    • 工学部

    Academic Degree

    • 修士(理学)(京都大学)
    • 博士(理学)(京都大学)

    Research History

    • From Mar. 2019, To Present
      Kyoto University, Department of Molecular Engneering, Graduate School of Engineering, Associate Professor
    • From Apr. 2013, To Mar. 2019
      琉球大学 理学部 海洋自然科学科化学系 助教

    ID,URL

    researchmap URL

    list
      Last Updated :2022/05/14

      Research

      Research Interests

      • 理論化学
      • Theoretical Chemistry

      Research Areas

      • Nanotechnology/Materials, Basic physical chemistry

      Papers

      • An analysis of valence electronic structure from a viewpoint of resonance theory: Tautomerization of formamide and diazadiboretidine
        Kaho Nakatani; Masahiro Higashi; Ryoichi Fukuda; Hirofumi Sato
        Journal of Computational Chemistry, 10 Jun. 2021
      • Theoretical study on isomerization of α-acids: A DFT calculation
        Minami Kimura; Tadashi Ito; Hirofumi Sato; Masahiro Higashi
        Food Chemistry, Jun. 2021
      • A Theoretical Study of Product Selectivity in Rhodium Catalyzed Oxidative Coupling Reaction Caused by the Solvation Effect
        Masahiro Higashi; Hirofumi Sato; Naoto Shibata; Suguru Takeno; Tetsuya Satoh; Masahiro Miura
        HETEROCYCLES, 2021
      • Uniform potential difference scheme to evaluate effective electronic couplings for superexchange electron transfer in donor–bridge–acceptor systems
        Hiroshi Nakano; Masahiro Higashi; Hirofumi Sato
        The Journal of Chemical Physics, 14 Jun. 2020
      • Nuclear magnetic shielding of molecule in solution based on reference interaction site model self-consistent field with spatial electron density distribution
        Kosuke Imamura; Takeshi Yamazaki; Daisuke Yokogawa; Masahiro Higashi; Hirofumi Sato
        The Journal of Chemical Physics, 21 May 2020
      • Site-Dependent Fluctuations Optimize Electronic Energy Transfer in the Fenna–Matthews–Olson Protein
        Shinji Saito; Masahiro Higashi; Graham R. Fleming
        The Journal of Physical Chemistry B, 21 Nov. 2019
      • Effects of Water Addition on a Catalytic Fluorination of Dienamine
        Daiki Kuraoku; Tsunaki Yonamine; Genta Koja; Norio Yoshida; Satoru Arimitsu; Masahiro Higashi
        Molecules, Sep. 2019
      • Kabirimine, a New Cyclic Imine from an Okinawan Dinoflagellate.
        Hermawan I; Higa M; Hutabarat PUB; Fujiwara T; Akiyama K; Kanamoto A; Haruyama T; Kobayashi N; Higashi M; Suda S; Tanaka J
        Marine drugs, Jun. 2019, Peer-reviewed
      • CHAPTER 2: Importance of C-H hydrogen bonding in asymmetric catalysis
        Satoru Arimitsu; Masahiro Higashi
        RSC Catalysis Series, 2019
      • Vibrational and Molecular Properties of Mg2+ Binding and Ion Selectivity in the Magnesium Channel MgtE
        Kimura Tetsunari; Lorenz-Fonfria Victor A; Douki Shintaro; Motoki Hideyoshi; Ishitani Ryuichiro; Nureki Osamu; Higashi Masahiro; Furutani Yuji
        JOURNAL OF PHYSICAL CHEMISTRY B, 25 Oct. 2018, Peer-reviewed
      • Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center
        Fujihashi, Yuta; Higashi, Masahiro; Ishizaki, Akihito
        JOURNAL OF PHYSICAL CHEMISTRY LETTERS, Sep. 2018, Peer-reviewed
      • Theoretical investigation on vibrational frequency fluctuations of SCN-derivatized vibrational probe molecule in water
        Masaki Okuda; Masahiro Higashi; Kaoru Ohta; Shinji Saito; Keisuke Tominaga
        Chemical Physics, Aug. 2018, Peer-reviewed
      • Analysis of Gas Phase Reaction Pathways for InN Metal Organic Vapor Phase Epitaxy
        Sone Junji; Uematsu Kouta; Matsufuji Yuuki; Oshima Masato; Yamada Katsumi; Higashi Masahiro
        JOURNAL OF CHEMICAL ENGINEERING OF JAPAN, Jul. 2018, Peer-reviewed
      • Theoretical approaches for dynamical ordering of biomolecular systems
        Hisashi Okumura; Masahiro Higashi; Yuichiro Yoshida; Hirofumi Sato; Ryo Akiyama
        Biochimica et Biophysica Acta - General Subjects, 01 Feb. 2018, Peer-reviewed
      • Theoretical analysis of the domain-swapped dimerization of cytochrome c: An MD and 3D-RISM approach
        Norio Yoshida; Masahiro Higashi; Hideyoshi Motoki; Shun Hirota
        Journal of Chemical Physics, 14 Jan. 2018, Peer-reviewed
      • Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel
        Hisao Tsukamoto; Masahiro Higashi; Hideyoshi Motoki; Hiroki Watanabe; Christian Ganser; Koichi Nakajo; Yoshihiro Kubo; Takayuki Uchihashi; Yuji Furutani
        Journal of Biological Chemistry, 2018, Peer-reviewed
      • Structural properties determining low K affinity of the selectivity filter in the TWIK1 K channel
        Hisao Tsukamoto; Masahiro Higashi; Hideyoshi Motoki; Hiroki Watanabe; Christian Ganser; Koichi Nakajo; Yoshihiro Kubo; Takayuki Uchihashi; Yuji Furutani
        Journal of Biological Chemistry, 2018, Peer-reviewed
      • Theoretical Study on Oligomerization of Cytochrome c
        Motoki Hideyoshi; Yoshida Norio; Hirota Shun; Higashi Masahiro
        JOURNAL OF COMPUTER CHEMISTRY-JAPAN, 2018, Peer-reviewed
      • Vibrational frequency fluctuations of ionic vibrational probe in water: Theoretical study with molecular dynamics simulation
        Masaki Okuda; Masahiro Higashi; Kaoru Ohta; Shinji Saito; Keisuke Tominaga
        CHEMICAL PHYSICS LETTERS, Sep. 2017, Peer-reviewed
      • Two Furanosesterterpenoids from the Sponge Luffariella variabilis
        Peni Ahmadi; Masahiro Higashi; Nicole J. de Voogd; Junichi Tanaka
        MARINE DRUGS, Aug. 2017, Peer-reviewed
      • Theoretical study on photoexcitation dynamics of a bis-diimine Cu(I) complex in solutions
        Asaka Agena; Satoru Iuchi; Masahiro Higashi
        CHEMICAL PHYSICS LETTERS, Jul. 2017, Peer-reviewed
      • Cinchona-Based Primary Amine Catalyzed a Proximal Functionalization of Dienamines: Asymmetric alpha-Fluorination of alpha-Branched Enals
        Satoru Arimitsu; Tsunaki Yonamine; Masahiro Higashi
        ACS CATALYSIS, Jul. 2017, Peer-reviewed
      • Four Aromatic Sulfates with an Inhibitory Effect against HCV NS3 Helicase from the Crinoid Alloeocomatella polycladia
        Idam Hermawan; Atsushi Furuta; Masahiro Higashi; Yoshihisa Fujita; Nobuyoshi Akimitsu; Atsuya Yamashita; Kohji Moriishi; Satoshi Tsuneda; Hidenori Tani; Masamichi Nakakoshi; Masayoshi Tsubuki; Yuji Sekiguchi; Naohiro Noda; Junichi Tanaka
        MARINE DRUGS, Apr. 2017, Peer-reviewed
      • QM/MM Geometry Optimization on Extensive Free-Energy Surfaces for Examination of Enzymatic Reactions and Design of Novel Functional Properties of Proteins
        Shigehiko Hayashi; Yoshihiro Uchida; Taisuke Hasegawa; Masahiro Higashi; Takahiro Kosugi; Motoshi Kamiya
        ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 68, 2017, Peer-reviewed
      • The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study
        Shoichi Tanimoto; Masahiro Higashi; Norio Yoshida; Haruyuki Nakano
        JOURNAL OF PHYSICS-CONDENSED MATTER, Sep. 2016, Peer-reviewed
      • One-pot synthesis and theoretical calculation for trifluoromethylated pyrrolizidines by 1,3-dipolar cycloaddition with azomethine ylides and beta-trifluoromethyl acrylamides
        Yoshiki Toma; Masataka Kunigami; K-jiro Watanabe; Masahiro Higashi; Satoru Arimitsu
        JOURNAL OF FLUORINE CHEMISTRY, Sep. 2016, Peer-reviewed
      • Quantitative Evaluation of Site Energies and Their Fluctuations of Pigments in the Fenna-Matthews-Olson Complex with an Efficient Method for Generating a Potential Energy Surface
        Masahiro Higashi; Shinji Saito
        JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Aug. 2016, Peer-reviewed
      • Spin-Blocking Effect in CO and H-2 Binding Reactions to Molybdenocene and Tungstenocene: A Theoretical Study on the Reaction Mechanism via the Minimum Energy Intersystem Crossing Point
        K-jiro Watanabe; Naoki Nakatani; Akira Nakayama; Masahiro Higashi; Jun-ya Hasegawa
        INORGANIC CHEMISTRY, Aug. 2016, Peer-reviewed
      • A New Trinor-guaiane Sesquiterpene from an Indonesian Soft Coral Anthelia sp.
        Novriyandi Hanif; Anggia Murni; Marie Yamauchi; Masahiro Higashi; Junichi Tanaka
        NATURAL PRODUCT COMMUNICATIONS, Nov. 2015, Peer-reviewed
      • Theoretical Study on Excited States of Bacteriochlorophyll a in Solutions with Density Functional Assessment
        Masahiro Higashi; Takahiro Kosugi; Shigehiko Hayashi; Shinji Saito
        JOURNAL OF PHYSICAL CHEMISTRY B, Sep. 2014, Peer-reviewed
      • Concerted Hydrogen Atom and Electron Transfer Mechanism for Catalysis by Lysine-Specific Demethylase
        Tao Yu; Masahiro Higashi; Alessandro Cembran; Jiali Gao; Donald G. Truhlar
        JOURNAL OF PHYSICAL CHEMISTRY B, Jul. 2013, Peer-reviewed
      • Theoretical and Experimental Studies on Vibrational Energy Relaxation of the CO Stretching Mode of Acetone in Alcohol Solutions
        Masahiro Higashi; Satori Hirai; Motohiro Banno; Kaoru Ohta; Shinji Saito; Keisuke Tominaga
        JOURNAL OF PHYSICAL CHEMISTRY B, Apr. 2013, Peer-reviewed
      • Direct Simulation of Excited-State Intramolecular Proton Transfer and Vibrational Coherence of 10-Hydroxybenzo[h]quinoline in Solution
        Masahiro Higashi; Shinji Saito
        JOURNAL OF PHYSICAL CHEMISTRY LETTERS, Sep. 2011, Peer-reviewed
      • Efficient Approach to Reactive Molecular Dynamics with Accurate Forces
        Masahiro Higashi; Donald G. Truhlar
        JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Nov. 2009, Peer-reviewed
      • Combined electrostatically embedded multiconfiguration molecular mechanics and molecular mechanical method: Application to molecular dynamics simulation of a chemical reaction in aqueous solution with hybrid density functional theory
        Masahiro Higashi; Donald G. Truhlar
        JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Jul. 2008, Peer-reviewed
      • Electrostatically embedded multiconfiguration molecular mechanics based on the combined density functional and molecular mechanical method
        Masahiro Higashi; Donald G. Truhlar
        JOURNAL OF CHEMICAL THEORY AND COMPUTATION, May 2008, Peer-reviewed
      • Geometry optimization based on linear response free energy with quantum mechanical/molecular mechanical method: Applications to Menshutkin-type and Claisen rearrangement reactions in aqueous solution
        Masahiro Higashi; Shigehiko Hayashi; Shigeki Kato
        JOURNAL OF CHEMICAL PHYSICS, Apr. 2007, Peer-reviewed
      • Transition state determination of enzyme reaction on free energy surface: Application to chorismate mutase
        Masahiro Higashi; Shigehiko Hayashi; Shigeki Kato
        CHEMICAL PHYSICS LETTERS, Apr. 2007, Peer-reviewed
      • Theoretical study on electronic and spin structures of [Fe2S2](2+,+) cluster: Reference interaction site model self-consistent field (RISM-SCF) and multireference second-order Moller-Plesset perturbation theory (MRMP) approach
        M Higashi; S Kato
        JOURNAL OF PHYSICAL CHEMISTRY A, Nov. 2005, Peer-reviewed

      External funds: Kakenhi

      • 動的エキシトンの理論
        Grant-in-Aid for Transformative Research Areas (A)
        Transformative Research Areas, Section (II)
        Kyoto University
        東 雅大
        From 19 Nov. 2020, To 31 Mar. 2025, Granted
        動的エキシトン;ドナー・アクセプター相互作用;量子化学計算;分子動力学シミュレーション;スピン軌道相互作用;溶媒効果
      • Dynamic Exciton: Emerging Science and Innovation
        Grant-in-Aid for Transformative Research Areas (A)
        Transformative Research Areas, Section (II)
        Kyoto University
        今堀 博
        From 19 Nov. 2020, To 31 Mar. 2025, Granted
        エキシトン;電荷移動;電荷分離状態;有機太陽電池;有機発光素子
      • 天然および人工光捕集アンテナ系における光エネルギー伝達機構の理論的解明
        Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
        Complex systems
        Kyoto University
        東 雅大
        From 01 Apr. 2020, To 31 Mar. 2021, Discontinued
        光捕集アンテナ;エネルギー伝達;クロロゾーム;分子シミュレーション;量子化学計算;バクテリオクロロフィル色素
      • 反応環境に着目したハイブリッド触媒反応の分子論的機構解明
        Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
        Science and Engineering
        Kyoto University
        東 雅大
        From 01 Apr. 2020, To 31 Mar. 2021, Discontinued
        ハイブリッド触媒;量子化学計算;遷移状態;溶媒効果;反応環境;理論計算;遷移状態解析;分子シミュレーション
      • 混合溶媒中におけるハイブリッド触媒反応の分子論的機構解明
        Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
        Kyoto University;University of the Ryukyus
        東 雅大
        From 01 Apr. 2018, To 31 Mar. 2020, Project Closed
        ハイブリッド触媒反応;混合溶媒;理論計算;分子シミュレーション;遷移状態解析;溶媒効果
      • Theoretical study on the mechanism of light energy transfer in photosynthetic systems
        Grant-in-Aid for Scientific Research (C)
        Kyoto University;University of the Ryukyus
        Higashi Masahiro
        From 01 Apr. 2017, To 31 Mar. 2021, Project Closed
        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
      • Elucidation of reaction mechanism and control method of photoexcitation dynamics in copper complexes
        Grant-in-Aid for Scientific Research (C)
        Kyoto University;University of the Ryukyus
        Masahiro Higashi
        From 19 Jul. 2016, To 31 Mar. 2020, Project Closed
        光励起ダイナミクス;銅錯体;分子シミュレーション;励起状態;ビスジイミン銅(I)錯体;金(I)三量体錯体;HBT;TCNQ;溶媒効果;理論解析;Au3錯体;分子動力学シミュレーション;振動コヒーレンス;金属錯体;反応制御
      • Theoretical investigation on self-organization and function of light-harvesting complexes
        Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
        Science and Engineering
        University of the Ryukyus
        東 雅大
        From 01 Apr. 2016, To 31 Mar. 2018, Project Closed
        自己組織化;光捕集複合体;MDシミュレーション;シトクロムc;ドメインスワッピング;液体の積分方程式理論;機能発現;分子動力学シミュレーション;励起エネルギー;光捕集アンテナ
      • Theoretical investigation of excitation energy transfer in biomolecular systems with molecular simulation
        Grant-in-Aid for Young Scientists (B)
        University of the Ryukyus
        Masahiro HIGASHI
        From 01 Apr. 2014, To 31 Mar. 2018, Project Closed
        励起エネルギー移動;光捕集複合体;分子シミュレーション;理論解析;EETダイナミクス;理論化学;光捕集アンテナ;分子動力学シミュレーション;FMOタンパク;励起子相互作用;MDシミュレーション
      • Search for antiviral molecules from coral reef organisms
        Grant-in-Aid for Scientific Research (C)
        University of the Ryukyus
        Junichi TANAKA
        From 01 Apr. 2014, To 31 Mar. 2017, Project Closed
        HCV;HBV;NS3 helicase;core promoter;サンゴ礁生物;メロセスキテルペン;HCV NS3 helicase;PBDE;merosesquiterpene;ビフェニルエーテル
      • 光捕集アンテナにおける励起エネルギー移動の分子論的機構の理論的解明
        Grant-in-Aid for Research Activity Start-up
        University of the Ryukyus
        東 雅大
        From 30 Aug. 2013, To 31 Mar. 2015, Declined
        理論化学;光捕集アンテナ;励起エネルギー移動;MDシミュレーション;FMOタンパク;EETダイナミクス
      • 光合成超分子複合体における光エネルギー伝達ダイナミクスの理論的解明
        Grant-in-Aid for Scientific Research (C)
        Basic Section 32010:Fundamental physical chemistry-related
        Kyoto University
        東 雅大
        From 01 Apr. 2022, To 31 Mar. 2026, Adopted
      list
        Last Updated :2022/05/14

        Education

        Teaching subject(s)

        • From Apr. 2019, To Mar. 2020
          Physical Chemistry II (Fundamental Chemistry)
          Spring, 工学部
        • From Apr. 2019, To Mar. 2020
          Quantum Chemistry I
          Spring, 工学研究科
        • From Apr. 2020, To Mar. 2021
          ILAS Seminar :Introduction to theoretical chemistry
          Spring, 全学共通科目
        • From Apr. 2020, To Mar. 2021
          Physical Chemistry II (Fundamental Chemistry)
          Spring, 工学部
        • From Apr. 2020, To Mar. 2021
          Physical Chemistry II (Fundamental Chemistry)
          Spring, 工学部
        • From Apr. 2020, To Mar. 2021
          Quantum Chemistry II
          Spring, 工学研究科
        • From Apr. 2021, To Mar. 2022
          ILAS Seminar :Introduction to theoretical chemistry
          Spring, 全学共通科目
        • From Apr. 2021, To Mar. 2022
          Molecular Function and Composite-Assembly Function
          Spring, 工学研究科
        • From Apr. 2021, To Mar. 2022
          Physical Chemistry II (Advanced Chemistry)
          Spring, 工学部
        • From Apr. 2021, To Mar. 2022
          Physical Chemistry II (Advanced Chemistry)
          Spring, 工学部
        • From Apr. 2021, To Mar. 2022
          Quantum Chemistry I
          Spring, 工学研究科
        list
          Last Updated :2022/05/14

          Administration

          Faculty management (title, position)

          • From 01 Apr. 2021, To 31 Mar. 2022
            工学研究科・工学部図書委員会 委員

          ページ上部へ戻る