研究者詳細 - 木村　明洋

論文 - 木村　明洋

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Improvement of Exciton Hamiltonians for Photosynthetic Reaction Centers by Bayesian Optimization 査読有り

Wataru Shimooka, Hirotaka Kitoh-Nishioka, Shigeru Itoh, Akihiro Kimura

ACS Omega 2025年6月

Key Chlorophyll <i>a</i> Molecules in the Uphill Energy Transfer from Chlorophyll <i>f</i> to P700 in Far-Red Light-Adapted Photosystem I 査読有り

Nakamura, Y; Okochi, M; Itoh, S; Kimura, A

JOURNAL OF PHYSICAL CHEMISTRY B 129 巻 ( 2 ) 頁： 599 - 610 2025年1月

Extended perturbative approach including Redfield and Förster limits for qualitative analysis of exciton dynamics in any photosynthetic light harvesting and reaction center 査読有り

Kimura, A

JOURNAL OF CHEMICAL PHYSICS 161 巻 ( 12 ) 頁： 124102 2024年9月

Experimental and Theoretical Mutation of Exciton States on the Smallest Type-I Photosynthetic Reaction Center Complex of a Green Sulfur Bacterium Chlorobaclum tepidum 査読有り

Kimura, A; Kitoh-Nishioka, H; Kondo, T; Oh-oka, H; Itoh, S; Azai, C

JOURNAL OF PHYSICAL CHEMISTRY B 128 巻 ( 3 ) 頁： 731 - 743 2024年1月

Polarizable Molecular Block Model: Toward the Development of an Induced Dipole Force Field for DNA 査読有り

Nakagawa, S; Kimura, A; Okamoto, Y

JOURNAL OF PHYSICAL CHEMISTRY B 126 巻 ( 50 ) 頁： 10646 - 10661 2022年12月

Theoretical Model of the Far-Red-Light-Adapted Photosystem I Reaction Center of Cyanobacterium Acaryochloris marina Using Chlorophyll d and the Effect of Chlorophyll Exchange 査読有り

Kimura, A; Kitoh-Nishioka, H; Aota, T; Hamaguchi, T; Yonekura, K; Kawakami, K; Shinzawa-Itoh, K; Inoue-Kashino, N; Ifuku, K; Yamashita, E; Kashino, Y; Itoh, S

JOURNAL OF PHYSICAL CHEMISTRY B 126 巻 ( 22 ) 頁： 4009 - 4021 2022年6月

Comparison between the Light-Harvesting Mechanisms of Type-I Photosynthetic Reaction Centers of Heliobacteria and Photosystem I: Pigment Site Energy Distribution and Exciton State 査読有り国際誌

Kimura, A; Kitoh-Nishioka, H; Shigeta, Y; Itoh, S

JOURNAL OF PHYSICAL CHEMISTRY B 125 巻 ( 15 ) 頁： 3727 - 3738 2021年4月

Excitonic Coupling on a Heliobacterial Symmetrical Type-I Reaction Center: Comparison with Photosystem I 査読有り

Kitoh-Nishioka, H; Shigeta, Y; Itoh, S; Kimura, A

JOURNAL OF PHYSICAL CHEMISTRY B 124 巻 ( 2 ) 頁： 389 - 403 2020年1月

Theoretical Model of Exciton States and Ultrafast Energy Transfer in Heliobacterial Type I Homodimeric Reaction Center 査読有り

Kimura, A; Itoh, S

JOURNAL OF PHYSICAL CHEMISTRY B 122 巻 ( 50 ) 頁： 11852 - 11859 2018年12月

Time-dependent renormalized Redfield theory II for off-diagonal transition in reduced density matrix 査読有り

Akihiro Kimura

Chemical Physics Letters 661 巻頁： 70 2016年8月

Time-dependent renormalized Redfield theory 査読有り

Akihiro Kimura

Chemical Physics Letters 645 巻頁： 123 2015年12月

Assignment of Exciton Domain in Light Harvesting Systems Based on the Variational Polaron Approach 査読有り

Yuta Fujihashi, and Akihiro Kimura

The Journal of Physical Chemistry B 119 巻頁： 8349-8356 2015年6月

Quantitative correction of the rate constant in the improved variational master equation for excitation energy transfer 査読有り

Akihiro Kimura, Yuta Fujihashi

The Journal of Chemical Physics 141 巻頁： 194110 2014年11月

Improved Variational Master Equation Theory for the Excitation Energy Transfer 査読有り

Yuta Fujihashi, and Akihiro Kimura

Journal of the Physical Society of Japan 83 巻 ( 1 ) 頁： 014801 2014年1月

*General theory of excitation energy transfer in donor-mediator-acceptor systems 査読有り

Akihiro Kimura

The Journal of Chemical Physics 130 巻頁： 154103 2009年4月

担当区分：筆頭著者記述言語：英語掲載種別：研究論文（学術雑誌）

General theory of the excitation energy transfer EET in the case of donor-mediator-acceptor
system was constructed by using generalized master equation GME. In this theory, we consider the
direct and indirect transitions in the EET consistently. Hence, our theory includes the quantum
mechanical interference between the direct and indirect transitions automatically. Memory functions
in the GME were expressed by the overlap integrals among the time-dependent emission spectrum
of the donor, the absorption spectrum of the mediator, the time-dependent emission spectrum of the
mediator, and the absorption spectrum of the acceptor. In the Markov limit of the memory functions,
we obtained the rate of EET which consists of three terms due to the direct transition, the indirect
transition, and the interference between them. We found that the interference works effectively in
the limit of slow thermalization at the intermediate state. The formula of EET rate in this limit was
expressed by the convolution of the EET interaction and optical spectra. The interference effect
strongly depends on the width of the absorption spectrum of mediator molecule and the energy gap
between the donor and the mediator molecules.

*Advanced Theory of Excitation Energy Transfer in Dimers 査読有り

A. Kimura and T. Kakitani

J. Phys. Chem. A 111 巻頁： 12042 2007年11月

担当区分：筆頭著者記述言語：英語掲載種別：研究論文（学術雑誌）

Previously, we developed a unified theory of the excitation energy transfer (EET) in dimers, which is applicable
to all of the cases of excitonic coupling strength (Kimura, A.; Kakitani, T.; Yamato, T. J. Phys. Chem. B
2000, 104, 9276). This theory was formulated only for the forward reaction of the EET. In the present paper,
we advanced this theory so that it might include the backward reaction of the EET as well as the forward
reaction. This new theory is formulated on the basis of the generalized master equation (GME), without
using physically unclear assumptions. Comparing the present result with the previous one, we find that the
excitonic coupling strengths of criteria between exciton and partial exciton and between hot transfer and
hopping (Fo¨rster) mechanisms are reduced by a factor of 2. The critical coherency èc is also reduced
significantly.

Interference, Fluctuation, and Alternation of Electron Tunneling in Protein Media 1. Two Tunneling Routes in Photosynthetic Reaction Center Alternate Due to Thermal Fluctuation of Protein Conformation.

H. Nishioka, A. Kimura, T. Yamato, T. Kawatsu, T. Kakitani

J. Phys. Chem. B 109 巻頁： 1978 2005年

Interference, Fluctuation, and Alternation of Electron Tunneling in Protein Media. 2. Non-Condon Theory for the Energy Gap Dependence of Electron Transfer Rate. 査読有り

H. Nishioka, A. Kimura, T. Yamato, T. Kawatsu T. Kakitani

J. Phys. Chem. B 109 巻頁： 15621 2005年

Fluctuating Hydration Structure around Nanometer-Size Hydrophobic Solutes. I. Caging and Drying around C60 and C60H60 Spheres. 査読有り

T. Hotta, A. Kimura, M. Sasai

J. Phys. Chem. B 109 巻頁： 18600 2005年

液体のダイナミックスと非平衡物理学

吉森明、（記録係：木村明洋、鳥飼正志、後藤振一郎）

82 巻頁： 357 2004年

記述言語：日本語掲載種別：研究論文（大学，研究機関等紀要）

本紀要は、2003年9月30日から10月2日の間に、名古屋大学大学院情報科学研究科にて行われた、九州大学理学研究科物理学部門の吉森明による「溶液のダイナミックスと非平衡物理学」というタイトルの集中講義の講義ノートである。

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