Shoji Mitsuo

ショウジミツオ | Shoji Mitsuo

Affiliation and department：
Job title： Professor

Research field (2)： Basic physical chemistry , Bio-, chemical, and soft-matter physics

Research keywords (5)：分子磁性 , 多核金属錯体 , 生物無機化学 , 反応機構の理論解明 , 酵素反応

Research theme for competitive and other funds (16)：

2022 - 2027 Elucidation of the mechanisms for light-induced water-splitting and light energy utilization in photosynthesis
2022 - 2026 XFEL-SFXによる化学反応解明を目指した「反応追跡結晶」の構築
2020 - 2024 分子シミュレーションによるタンパク質化学反応ダイナミクスの解明
2019 - 2024 時分割実験のための多様な反応誘起システムの開発
2019 - 2023 生体内量子多体系における特異的化学反応の機構解明

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Papers (172)：

Takeshi Murakawa, Kazuo Kurihara, Mitsuo Shoji, Naomine Yano, Katsuhiro Kusaka, Yoshiaki Kawano, Mamoru Suzuki, Yasuteru Shigeta, Takato Yano, Motoyasu Adachi, et al. Neutron Crystallography of a Semiquinone Radical Intermediate of Copper Amine Oxidase Reveals a Substrate-Assisted Conformational Change of the Peptidyl Quinone Cofactor. ACS Catalysis. 2023. 12403-12413
Watanabe, Natsuki, Shoji, Mitsuo, Miyagawa, Koichi, Hori, Yuta, Boero, Mauro, Umemura, Masayuki, Shigeta, Yasuteru. Enantioselective Amino Acid interactions in Solution. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2023. 25. 21. 15023-15029
Mitsuo Shoji, Yuya Kitazawa, Akimasa Sato, Natsuki Watanabe, Mauro Boero, Yasuteru Shigeta, Masayuki Umemura. Enantiomeric Excesses of Aminonitrile Precursors Determine the Homochirality of Amino Acids. The Journal of Physical Chemistry Letters. 2023
Watanabe, Natsuki, Hori, Yuta, Shoji, Mitsuo, Boero, Mauro, Shigeta, Yasuteru. Organocatalytic-racemization reaction elucidation of aspartic acid by density functional theory. CHIRALITY. 2023. 35. 9. 645-651
Mishima, Kenji, Shoji, Mitsuo, Umena, Yasufumi, Shigeta, Yasuteru. Biological advantage of the arrangements of C-phycocyanin chromophores in phycobilisome from the electronic energy transfer viewpoint. BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN. 2023. 96. 4. 381-393

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MISC (44)：

Kizashi Yamaguchi, Mitsuo Shoji, Hiroshi Isobe, Takashi Kawakami, Koichi Miyagawa, Michihiro Suga, Fusamichi Akita, Jian-Ren Shen. Geometric, electronic and spin structures of the CaMn4O5 catalyst for water oxidation in oxygen-evolving photosystem II. Interplay between experiments and theoretical computations. COORDINATION CHEMISTRY REVIEWS. 2022. 471
Mitsuo Shoji, Hiroshi Isobe, Shusuke Yamanaka, Yasufumi Umena, Keisuke Kawakami, Nobuo Kamiya, Kizashi Yamaguchi. Theoretical Elucidation of Geometrical Structures of the CaMn4O5 Cluster in Oxygen Evolving Complex of Photosystem II Scope and Applicability of Estimation Formulae of Structural Deformations via the Mixed-Valence and Jahn-Teller Effects. QUANTUM SYSTEMS IN PHYSICS, CHEMISTRY AND BIOLOGY - THEORY, INTERPRETATION, AND RESULTS. 2019. 78. 307-451
田中弥, 田中弥, 庄司光男, 庄司光男, 友池史明, 氏家謙, 花岡恭平, 原田隆平, 栢沼愛, 栢沼愛, et al. ウリジンシチジンキナーゼの基質特異性の理論的解明. 分子シミュレーション討論会講演要旨集. 2016. 30th
Hiroshi Isobe, Mitsuo Shoji, Jian-Ren Shen, Kizashi Yamaguchi. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II. Inorganic chemistry. 2016. 55. 2. 502-511
Mitsuo Shoji, Hiroshi Isobe, Jian-Ren Shen, Kizashi Yamaguchi. Geometric and electronic structures of the synthetic Mn4CaO4 model compound mimicking the photosynthetic oxygen-evolving complex. Physical chemistry chemical physics : PCCP. 2016. 18. 16. 11330-11340

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Books (5)：

ADVANCES IN QUANTUM CHEMISTRY, VOL 84
ELSEVIER ACADEMIC PRESS INC 2021 ISBN:9780128238776
環境技術
2020
量子化学計算ビギナーズガイド
環境技術, 環境技術学会 2020
Gaussian16で始める量子化学超入門
Amazon Kindle direct publishing 2020
フリーソフトで始める分子モデリング
Amazon Kindle direct publishing 2020

Lectures and oral presentations (81)：

星間空間におけるホモキラリティー発生の理論的研究
(第17回分子科学討論会)
ヘモグロビンM IwateとM BostonのFe-O伸縮振動の理論計算の改良およびヘモグロビンAとの構造の比較
(第49回生体分子科学討論会)
Unique reaction mechanism of copper amine oxidase revealed by theoretical QM/MM and experimental approaches
(CCS-KISTI workshop)
酵素反応のQM/MM解析
(スーパーコンピュータワークショップ2022「複雑電子状態の理論・計算科学」)
Chiral symmetry breaking for amino acid homochirality by dimerization
(Symposium on Next Generation Astrochemistry 2022 2022)

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Work history (1)：

2019/10 - 2023/03 JST さきがけ研究員(兼任)

Awards (4)：

2023/05 - 量子生命科学会量子生命科学会研究奨励賞量子生命科学に関連する研究において顕著な業績を挙げた
2022/05 - Best Presentation
2021/09 - Best Presentation
2020/12 - 量子生命科学会量子生命科学会第二回大会優秀発表賞 (口頭発表) 銅含有アミン酸化酵素のプロトン化状態についてのQM/MM解析

Association Membership(s) (7)：

The Molecular Simulation Society of Japan , 理論化学研究会 , THE BIOPHYSICAL SOCIETY OF JAPAN , Chemical Society of Japan , PROTEIN SCIENCE SOCIETY OF JAPAN , The Japanese Biochemical Society , Society of Computer Chemistry, Japan

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