Grant-in-Aid for Scientific Research on Innovative Areas FY2017-2021Hybrid Catalysis

Masahiro Higashi » Japanese

Affiliation Graduate School of Engineering, Kyoto University
Position Associate Professor
Contact Email
HP http://www.riron.moleng.kyoto-u.ac.jp/index_en.html
Speciality Theoretical Chemistry
Keyword Hybrid Catalysis, Theoretical Calculation, Molecular Simulation, Mixed Solvent, Transition State Analysis, Reaction Environment
Institute Chemical Society of Japan, American Chemical Society, Japan Society for Molecular Science, The Biophysical Society of Japan, Japan Society of Theoretical Chemistry

Abstract

◆Project:
Theoretical Investigation of Molecular Mechanism of Hybrid Catalysis Focusing on Reaction Environment

Achievement

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Original papers

  • "Identification of a Self-Photosensitizing Hydrogen Atom Transfer Organocatalyst System"
    Hiromu Fuse, Yu Irie, Masaaki Fuki, Yasuhiro Kobori, Kosaku Kato, Akira Yamakata, Masahiro Higashi, *Harunobu Mitsunuma, *Motomu Kanai
    J. Am. Chem. Soc., 3/31/2022
  • "Theoretical Study of the Mechanism of the Solvent Dependency of ESIPT in HBT"
    Naka, K.; Sato, H.; *Higashi, M.
    Phys. Chem. Chem. Phys., 7/19/2021, 23, 20080-20085
  • "Theoretical Study on Isomerization of α-Acids: A DFT Calculation"
    Kimura, M.; Ito, T.; Sato, H.; *Higashi, M.
    Food Chem., 6/23/2021, 364, 130418 (6 pages)
  • "An Analysis of Valence Electronic Structure from a Viewpoint of Resonance Theory: Tautomerization of Formamide and Diazadiboretidine"
    Nakatani, K.; Higashi, M.; Fukuda, R.; *Sato, H.
    J. Comput. Chem., 5/27/2021, 42, 1662-1669
  • "A Theoretical Study of Product Selectivity in Rhodium-Catalyzed Oxidative Coupling Reaction Caused by the Solvation Effect"
    *Higashi, M.; Shibata, N.; Takeno, S.; Satoh, T.; Miura, M.; *Sato, H.
    Heterocyc., 2/22/2021, 103, 952-964
  • "Nuclear Magnetic Shielding of Molecule in Solution Based on Reference Interaction Site Model Self-Consistent Field with Spatial Electron Density Distribution"
    Imamura, K.; Yamazaki, T.; Yokogawa, D.; Higashi, M.; *Sato, H.
    J. Phys. Chem., 5/18/2020, 152, 194102 (11 pages)
  • "Site-Dependent Fluctuations Optimize Electronic Energy Transfer in the Fenna−Matthews−Olson Protein"
    *Saito, S.; Higashi, M.; Fleming, G. R.
    J. Phys. Chem. B, 10/28/2019, 123, 9762-9772
  • "Effects of Water Addition on a Catalytic Fluorination of Dienamine"
    Kuraoku, D.; Yonamine, T.; Koja, G.; Yoshida, N.; *Arimitsu, S.; *Higashi, M.
    Molecules, 9/21/2019, 24, 3428 (8 pages)
  • "Kabirimine, a New Cyclic Imine from an Okinawan Dinoflagellate"
    Hermawan, I.; Higa, M.; Hutabarat, P. U. B.; Fujiwara, T.; Akiyama, K.; Kanamoto, A.; Haruyama, T.; Kobayashi, N.; Higashi, M.; Suda, S.; *Tanaka, J.
    Mar. Drugs, 6/13/2019, 17, 353 (9 pages)
  • "Vibrational and Molecular Properties of Mg2+ Binding and Ion Selectivity in the Magnesium Channel MgtE"
    Kimura, T.; Lorenz-Fonfria, V. A.; Douki, S.; Motoki, H.; Ishitani, R.; Nureki, O.; Higashi, M.; *Furutani, Y.
    J. Phys. Chem. B, 9/25/2018, 122, 9681-9696
  • "Intramolecular Vibrations Complement the Robustness of Primary Charge Separation in a Dimer Model of the Photosystem II Reaction Center"
    Fujihashi, Y.; Higashi, M.; *Ishizaki, A.
    J. Phys. Chem. Lett., 8/10/2018, 9, 4921-4929

Review

  • 「Importance of C–H Hydrogen Bonding in Asymmetric Catalysis」 *Arimitsu, S.; *Higashi, M., Noncovalent Interactions in Catalysis , 26-65, 3/18/2019