Shoji Mitsuo

ショウジミツオ | Shoji Mitsuo

Affiliation and department：
Job title： Assistant Professor

Research field (1)： 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 (3)：

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
2020 - 2022 自然・半導体・分子触媒で利用可能な多様な水分解反応機構の解明
酵素反応機構の解明、生物無機化学、分子動力学、分子磁性、多核金属錯体、可視化プログラム(Makiko)

Papers (160)：

K. Yamaguchi, K. Miyagawa, M. Shoji, H. Isobe, T. Kawakami. Elucidation of a multiple S3 intermediates model for water oxidation in the oxygen evolving complex of photosystem II. Calcium-assisted concerted O-O bond formation. Chem. Phys. Lett. 2022. 806. 140042-1-140042-12
Mitsuo Shoji, Takeshi Murakawa, Shota Nakanishi, Mauro Boero, Yasuteru Shigeta, Hideyuki Hayashi, Toshihide Okajima. Molecular mechanism of a large conformational change of the quinone cofactor in the semiquinone intermediate of bacterial copper amine oxidase. CHEMICAL SCIENCE. 2022. 13. 36. 10923-10938
Mitsuo, Shoji, Natsuki, Watanabe, Hori, Yuta, Kenji, Furuya, Masayuki, Umemura, Mauro, Boero, Yasuteru, Shigeta. Comprehensive Search of Stable Isomers of Alanine and Alanine Precursors in Prebiotic Syntheses. Astrobiology. 2022. 22. 9. 1129-1142
Hori, Yuta, Nakamura, Honami, Sakawa, Takahide, Natsuki, Watanabe, Kayanuma, Megumi, Mitsuo, Shoji, Masayuki, Umemura, Yasuteru, Shigeta. Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space. Astrobiology. 2022. 22. 11. 1330-1336
Nagatomo, Shigenori, Shoji, Mitsuo, Terada, Takuto, Nakatani, Kiyoharu, Shigeta, Yasuteru, Hirota, Shun, Yanagisawa, Sachiko, Kubo, Minoru, Kitagawa, Teizo, Nagai, Masako, et al. Heme-bound tyrosine vibrations in hemoglobin M: Resonance Raman, crystallography, and DFT calculation. Biophysical Journal. 2022. 121. 14. 2767-2780

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MISC (43)：

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 (4)：

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
フリーソフトで始める分子モデリング
Amazon Kindle direct publishing 2020
A practical introduction to quantum chemical calculations with Gaussian16
Amazon Kindle direct publishing 2019

Lectures and oral presentations (71)：

Chiral symmetry breaking for amino acid homochirality by dimerization
(Symposium on Next Generation Astrochemistry 2022 2022)
heoretical prediction into a possibility of the formation of propylene oxide homochirality
(Symposium on Next Generation Astrochemistry 2022 2022)
有機分子触媒を用いたアミノ酸ラセミ化反応の理論的研究
(日本コンピュータ化学会2022年秋季年会 2022)
分子動力学計算に基づくシロイヌナズナおよびエンバクHPPD-メソトリオン複合体の結合挙動解析
(日本コンピュータ化学会2022年秋季年会 2022)
Natural selection of the Mn cluster in the photosynthetic water oxidation
(Satellite Meeting to 18th International Congress on Photosynthesis Research (WOX-ICPR2022) 2022)

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Work history (1)：

2019/10 - 現在 JST さきがけ研究員(兼任)

Awards (5)：

2022/05 - Best Presentation
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優れた学術研究発表を行ったため
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 , Chemical Society of Japan , Society of Computer Chemistry, Japan , The Japanese Biochemical Society , THE BIOPHYSICAL SOCIETY OF JAPAN , PROTEIN SCIENCE SOCIETY OF JAPAN , 理論化学研究会

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