高分解能・時間分解構造解析による水分解反応の機構解明

• Project Area: Creation of novel light energy conversion system through elucidation of the molecular mechanism of photosynthesis and its artificial design in terms of time and space
• Project/Area Number: 17H06434
• Research Category: Grant-in-Aid for Scientific Research on Innovative Areas (Research in a proposed research area)
• Allocation Type: Single-year Grants
• Review Section: Complex systems
• Research Institution: Okayama University
• Principal Investigator: 沈 建仁 岡山大学, 異分野基礎科学研究所, 教授 (60261161)
• Co-Investigator(Kenkyū-buntansha): 神谷 信夫 大阪市立大学, 人工光合成研究センター, 名誉教授 (60152865) ; 山口 兆 大阪大学, 産業科学研究所, 特任教授 (80029537)
• Project Period (FY): 2017-06-30 – 2022-03-31
• Project Status: Granted (Fiscal Year 2021)
• Budget Amount: ¥310,960,000 (Direct Cost: ¥239,200,000、Indirect Cost: ¥71,760,000); Fiscal Year 2021: ¥51,090,000 (Direct Cost: ¥39,300,000、Indirect Cost: ¥11,790,000); Fiscal Year 2020: ¥51,090,000 (Direct Cost: ¥39,300,000、Indirect Cost: ¥11,790,000); Fiscal Year 2019: ¥51,090,000 (Direct Cost: ¥39,300,000、Indirect Cost: ¥11,790,000); Fiscal Year 2018: ¥51,090,000 (Direct Cost: ¥39,300,000、Indirect Cost: ¥11,790,000); Fiscal Year 2017: ¥106,600,000 (Direct Cost: ¥82,000,000、Indirect Cost: ¥24,600,000)
• Keywords: 光合成 / 水分解反応 / X線結晶構造解析 / 理論計算 / X線自由電子レーザー / 酸素発生反応 / 時間分解構造解析 / 高精度結合クラスター(coupled-cluster; CC)計算法 / 動的構造解析 / 密度行列繰り込み群法(DMRG) / 生物物理 / タンパク質

Outline of Annual Research Achievements

光化学系II(PSII)の水分解触媒中心Mn4CaO5クラスターについて、２閃光照射によってS3状態が生成されるまでの過程をナノ秒からマイクロ秒の時間で、X線自由電子レーザー(XFEL)を用いたポンプープローブシリアルフェムト秒結晶構造解析法を用いて解析した結果、早い時間でプロトン移動に伴うと思われる、クラスター周辺のアミノ酸の構造変化、及び酸素分子を形成する基質水分子由来のO6の挿入に伴う水チャンネルの変化が観察され、当該チャンネルの所在が示唆された。また、S2状態におけるMn4CaO5クラスターの構造は、アルカリ条件下でオープンキュバン型からクローズドキュバン型に変化することが電子スピン共鳴(EPR)法により示唆されていたが、アルカリ条件下でS2状態の構造を解析した結果、上記の構造変化は観察されず、EPR法によるアルカリ条件下でのスペクトル変化には他の解釈が必要であることが明らかになった。また、同型性の高いPSII結晶を多数調製する技術を確立し、多数の同型結晶を用いて低X線ドーズでMn原子のK吸収端（波長1.89 Å前後）を用いて、異常分散構造解析を行った結果、Mn4CaO5クラスター中の４個のMn原子の価数を独立に決定することができた。
実験で得られたMn4CaO5クラスターの構造について、汎用のBroken-Symmetry (BS)型密度汎関数(DFT)法を超える高精度結合クラスター(coupled-cluster; CC)計算法を用いて構造最適化を行った結果、Mn4CaO5クラスターのS1, S2状態について、DFT法では見つからなかった、エネルギー的に近似の新規の構造が見つかった。
上記研究と並行して、珪藻由来PSIIとその集光アンテナFCPIIとの複合体の構造をクライオ電子顕微鏡で解析し、論文をScience誌に公表した。

Current Status of Research Progress

1: Research has progressed more than it was originally planned.

Reason

X線自由電子レーザーを用いたポンプープローブ時間分解構造解析法により解析された水分解反応中間体のS2, S3状態構造に関する論文、及び珪藻PSII-FCPII超分子複合体のクライオ電子顕微鏡構造に関する論文をそれぞれScience誌に公表した。また、CC法を光合成系に適用し、Mn4CaO5クラスターの新規な中間体構造を見出しただけでなく、低X線ドーズによるPSIIの高分解能構造解析により、Mn4CaO5クラスター中の各Mnイオンの価数を実験的に決定した。そのほか、光合成系タンパク質の構造・機能解析を行い、論文をNature Communications, Nature Plants, Proceedings of the National Academy of Sciences of USAなどの雑誌に公表した。これらの成果から、研究が当初の計画以上に進展していると判断した。

Strategy for Future Research Activity

水分解反応の詳細な機構を完全に解明するためには、3閃光照射によるPSIIのS状態の構造変化 (S3→(S4)→S0)を解析する必要があるが、現在のPSII微結晶の溶液条件では、S3状態以降の遷移効率が極めて低く、構造解析ができていない。このため、S3状態以降の遷移効率が十分高くなるようPSIIの結晶化条件や微結晶の溶液条件を改善する。S3状態以降への遷移効率が高い結晶の溶液条件が確立されれば、XFELを利用したポンプープローブSFX法で ３閃光照射によるS3→(S4)→S0遷移に伴う構造変化を解析する。同時に、1閃光後の異なる遅延時間で複数時点でのX線回折データを収集し、光誘導による電子伝達・プロトン移動に伴うPSIIの構造変化を詳細に解析する。また、PSIIの重要なアミノ酸変異体について構造・機能解析を行い、当該アミノ酸の役割を明らかにする。
以上より得られた各中間状態のPSII実験構造について、DLPNO-CCSD(T)計算法を用いて解析し、実験結果と照合して詳細な中間体構造と反応機構を解明する。

Research Products

• [Int'l Joint Research] 中国科学院植物研究所/浙江大学/中国科学院化学研究所(中国)
• [Int'l Joint Research] Russian Academy of Sciences(ロシア連邦)
• [Int'l Joint Research] University of Colorado, Boulder(米国)
• [Int'l Joint Research] 中国科学院植物研究所/中国科学院大連化学物理研究所(中国)
• [Int'l Joint Research] UMR CNRS 9198, CEA Saclay(フランス)
• [Int'l Joint Research] Australia National University(オーストラリア)
• [Int'l Joint Research] Hungarian Academy of Sciences(ハンガリー)
• [Int'l Joint Research]
• [Int'l Joint Research] 中国科学院植物研究所/中国科学院化学研究所(中国)
• [Int'l Joint Research] CNRS(フランス)
• [Int'l Joint Research] オーストラリア国立大学(オーストラリア)
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  • Author(s): Kato K., Shinoda T., Nagao R., Akimoto S., Suzuki T., Dohmae N., Chen M., Allakhverdiev SI., Shen J.-R., Akita F., Miyazaki N., Tomo T.
  • Journal Title: Nat. Commun. Volume: 11 Pages: 1-10
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  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] FTIR Microspectroscopic Analysis of the Water Oxidation Reaction in a Single Photosystem II Microcrystal (2020)
  • Author(s): Kato Yuki、Haniu Satoshi、Nakajima Yoshiki、Akita Fusamichi、Shen Jian-Ren、Noguchi Takumi
  • Journal Title: J. Phys. Chem. B Volume: 124 Pages: 121-127
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• [Journal Article] UNO(ULO) active space for multireference calculations on classical and quantum computers. Revisit to the iron-sulfur complexes (2020)
  • Author(s): Miyagawa Koichi、Shoji Mitsuo、Isobe Hiroshi、Yamanaka Shusuke、Kawakami Takashi、Okumura Mitsutaka、Yamaguchi Kizashi
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• [Journal Article] Spin, Valence, and Structural Isomerism in the S3 State of the Oxygen-Evolving Complex of Photosystem II as a Manifestation of Multimetallic Cooperativity (2019)
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• [Journal Article] Phospholipid distributions in purple phototrophic bacteria and LH1-RC core complexes (2019)
  • Author(s): Nagatsuma S.、Gotou K.、Yamashita T.、Yu L.-J.、Shen J.-R.、Madigan M.T.、Kimura Y.、Wang-Otomo Z.-Y.
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• [Journal Article] Effects of excess light energy on excitation-energy dynamics in a pennate diatom Phaeodactylum tricornutum (2019)
  • Author(s): Nagao Ryo、Ueno Yoshifumi、Yokono Makio、Shen Jian-Ren、Akimoto Seiji
  • Journal Title: Photosynth. Res. Volume: 141 Pages: 355-365
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• [Journal Article] Proton-Coupled Electron Transfer of Plastoquinone Redox Reactions in Photosystem II: A Pump－Probe Ultraviolet Resonance Raman Study (2019)
  • Author(s): Chen Jun、Chen Jinfan、Liu Ying、Zheng Yang、Zhu Qingjun、Han Guangye、Shen Jian-Ren
  • Journal Title: The Journal of Physical Chemistry Letters Volume: 10 Pages: 3240-3247
  • DOI: 10.1021/acs.jpclett.9b00959
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• [Journal Article] pH-Sensing Machinery of Excitation Energy Transfer in Diatom PSI－FCPI Complexes (2019)
  • Author(s): Nagao Ryo、Yokono Makio、Ueno Yoshifumi、Shen Jian-Ren、Akimoto Seiji
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• [Journal Article] Novel Mechanism of Cl-Dependent Proton Dislocation in Photosystem II (PSII): Hybrid Ab initio Quantum Mechanics/Molecular Mechanics Molecular Dynamics Simulation (2019)
  • Author(s): Nakamura Atsushi、Kang Jiyoung、Terada Ryu-ichiro、Kino Hiori、Umena Yasufumi、Kawakami Keisuke、Shen Jian-Ren、Kamiya Nobuo、Tateno Masaru
  • Journal Title: J. Phys. Soc. Jpn. Volume: 88 Issue: 8 Pages: 084802-084802
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  • NAID: 40021971929
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  • Peer Reviewed / Open Access
• [Journal Article] A manganese(ii) phthalocyanine under water-oxidation reaction: new findings (2019)
  • Author(s): Mousazade Younes、Najafpour Mohammad Mahdi、Bagheri Robabeh、Jaglicic Zvonko、Singh Jitendra Pal、Chae Keun Hwa、Song Zhenlun、Rodionova Margarita V.、Voloshin Roman A.、Shen Jian-Ren、Ramakrishna Seeram、Allakhverdiev Suleyman I.
  • Journal Title: Dalton Transactions Volume: 48 Pages: 12147-12158
  • DOI: 10.1039/c9dt01790a
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex (2019)
  • Author(s): Nagao Ryo、Kato Koji、Suzuki Takehiro、Ifuku Kentaro、Uchiyama Ikuo、Kashino Yasuhiro、Dohmae Naoshi、Akimoto Seiji、Shen Jian-Ren、Miyazaki Naoyuki、Akita Fusamichi
  • Journal Title: Nat. Plants Volume: 5 Pages: 890-901
  • DOI: 10.1038/s41477-019-0477-x
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] The pigment-protein network of a diatom photosystem II－light harvesting antenna supercomplex (2019)
  • Author(s): Pi Xiong、Zhao Songhao、Wang Wenda、Liu Desheng、Xu Caizhe、Han Guangye、Kuang Tingyun、Sui Sen-Fang、Shen Jian-Ren
  • Journal Title: Science Volume: 365
  • DOI: 10.1126/science.aax4406
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser (2019)
  • Author(s): Suga M、Akita F、Yamashita K、Nakajima Y、Ueno G、Li H、Yamane T、Hirata K、Umena Y、Yonekura S、Yu L-J、Murakami H、Nomura T、Kimura T、Kubo M、Baba S、Kumasaka T、Tono K、Yabashi M、Isobe H、Yamaguchi K、Yamamoto M、Ago H、Shen J-R
  • Journal Title: Science Volume: 366 Pages: 334-338
  • DOI: 10.1126/science.aax6998
  • Peer Reviewed / Open Access
• [Journal Article] Spectral Properties and Excitation Relaxation of Novel Fucoxanthin Chlorophyll a/c-Binding Protein Complexes (2019)
  • Author(s): Ueno Yoshifumi、Nagao Ryo、Shen Jian-Ren、Akimoto Seiji
  • Journal Title: J. Phys. Chem. Lett. Volume: 10 Pages: 5148-5152
  • DOI: 10.1021/acs.jpclett.9b02093
  • Peer Reviewed
• [Journal Article] Influence of osmolytes on the stability of thylakoid‐based dye‐sensitized solar cells (2019)
  • Author(s): Voloshin Roman A.、Brady Nathan G.、Zharmukhamedov Sergey K.、Feyziyev Yashar M.、Huseynova Irada M.、Najafpour Mohammad Mahdi、Shen Jian‐Ren、Veziroglu T. Nejat、Bruce Barry D.、Allakhverdiev Suleyman I.
  • Journal Title: International Journal of Energy Research Volume: 43 Pages: 8878-8889
  • DOI: 10.1002/er.4866
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Structure of a C2S2M2N2-type PSII－LHCII supercomplex from the green alga Chlamydomonas reinhardtii (2019)
  • Author(s): Shen Liangliang、Huang Zihui、Chang Shenghai、Wang Wenda、Wang Jingfen、Kuang Tingyun、Han Guangye、Shen Jian-Ren、Zhang Xing
  • Journal Title: Proceedings of the National Academy of Sciences Volume: 116 Pages: 21246-21255
  • DOI: 10.1073/pnas.1912462116
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Structure of a cyanobacterial photosystem I tetramer revealed by cryo-electron microscopy (2019)
  • Author(s): Kato Koji、Nagao Ryo、Jiang Tian-Yi、Ueno Yoshifumi、Yokono Makio、Chan Siu Kit、Watanabe Mai、Ikeuchi Masahiko、Shen Jian-Ren、Akimoto Seiji、Miyazaki Naoyuki、Akita Fusamichi
  • Journal Title: Nat. Commun. Volume: 10 Pages: 4929-4929
  • DOI: 10.1038/s41467-019-12942-8
  • Peer Reviewed / Open Access
• [Journal Article] The crystal structure of homoserine dehydrogenase complexed withl-homoserine and NADPH in a closed form (2019)
  • Author(s): Akai Shota、Ikushiro Hiroko、Sawai Taiki、Yano Takato、Kamiya Nobuo、Miyahara Ikuko
  • Journal Title: J. Biochem. Volume: 165 Pages: 185-195
  • DOI: 10.1093/jb/mvy094
  • NAID: 40021810011
  • Peer Reviewed
• [Journal Article] Efficient hydrogen production using photosystem I enhanced by artificial light harvesting dye (2019)
  • Author(s): Nagakawa Haruki、Takeuchi Ayano、Takekuma Yuya、Noji Tomoyasu、Kawakami Keisuke、Kamiya Nobuo、Nango Mamoru、Furukawa Rei、Nagata Morio
  • Journal Title: Photochem. Photobiol. Sci. Volume: 18 Pages: 309-313
  • DOI: 10.1039/c8pp00426a
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Enhancement of Photocurrent by Integration of an Artificial Light-Harvesting Antenna with a Photosystem I Photovoltaic Device (2019)
  • Author(s): Takekuma Yuya、Nagakawa Haruki、Noji Tomoyasu、Kawakami Keisuke、Furukawa Rei、Nango Mamoru、Kamiya Nobuo、Nagata Morio
  • Journal Title: ACS Appl. Energy Matel. Volume: - Pages: 3986-3990
  • DOI: 10.1021/acsaem.9b00349
  • Peer Reviewed
• [Journal Article] Synthesis and characterization of chemically-reactive solubilization surfactants for membrane proteins and preparation of membrane protein hydrogel microfibers (2019)
  • Author(s): Taniguchi Aki、Koeda Shuhei、Noji Tomoyasu、Kawakami Keisuke、Sumito Natsumi、Dewa Takehisa、Itoh Shigeru、Kamiya Nobuo、Mizuno Toshihisa
  • Journal Title: Colloid and Interf. Sci. Commun. Volume: 32 Pages: 100199-100199
  • DOI: 10.1016/j.colcom.2019.100199
  • Peer Reviewed / Open Access
• [Journal Article] Domain-based local pair natural orbital CCSD(T) calculations of six different S1 structures of oxygen evolving complex of photosystem II. Proposal of multi-intermediate models for the S1 state (2019)
  • Author(s): Miyagawa K.、Kawakami T.、Isobe H.、Shoji M.、Yamanaka S.、Nakatani K.、Okumura M.、Nakajima T.、Yamaguchi K.
  • Journal Title: Chemical Physics Letters Volume: 732 Pages: 136660-136660
  • DOI: 10.1016/j.cplett.2019.136660
  • Peer Reviewed
• [Journal Article] Domain-based local pair natural orbital CCSD(T) calculations of fourteen different S2 intermediates for water oxidation in the Kok cycle of OEC of PSII. Re-visit to one LS-two HS model for the S2 state (2019)
  • Author(s): Miyagawa K.、Isobe H.、Kawakami T.、Shoji M.、Yamanaka S.、Okumura M.、Nakajima T.、Yamaguchi K.
  • Journal Title: Chemical Physics Letters Volume: 734 Pages: 136731-136731
  • DOI: 10.1016/j.cplett.2019.136731
  • Peer Reviewed
• [Journal Article] Elucidation of the entire Kok cycle for photosynthetic water oxidation by the large-scale quantum mechanics/molecular mechanics calculations: Comparison with the experimental results by the recent serial femtosecond crystallography (2019)
  • Author(s): Shoji Mitsuo、Isobe Hiroshi、Shen Jian-Ren、Suga Michihiro、Akita Fusamichi、Miyagawa Koichi、Shigeta Yasuteru、Yamaguchi Kizashi
  • Journal Title: Chemical Physics Letters Volume: 730 Pages: 416-425
  • DOI: 10.1016/j.cplett.2019.06.026
  • Peer Reviewed
• [Journal Article] Properties and structure of a low-potential, penta-heme cytochrome c552 from a thermophilic purple sulfur photosynthetic bacterium Thermochromatium tepidum (2019)
  • Author(s): Chen J.-H., Yu L.-J., Boussac A., Wang-Otomo Z.-Y., Kuang T., Shen J.-R.
  • Journal Title: Photosynthesis Research Volume: 139 Pages: 281-293
  • DOI: 10.1007/s11120-018-0507-y
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Site-directed mutagenesis of two amino acid residues in cytochrome b₅₅₉ α subunit that interact with a phosphatidylglycerol molecule (PG772) induces quinone-dependent inhibition of photosystem II activity. (2019)
  • Author(s): Endo Kaichiro、Kobayashi Koichi、Wang Hsing-Ting、Chu Hsiu-An、Shen Jian-Ren、Wada Hajime
  • Journal Title: Photosynthesis Research Volume: 139 Pages: 267-279
  • DOI: 10.1007/s11120-018-0555-3
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] Low-energy chlorophylls in fucoxanthin chlorophyll a/c-binding protein conduct excitation energy transfer to photosystem I in diatoms (2019)
  • Author(s): Nagao, R., Yokono, M., Ueno, Y., Shen, J.-R., Akimoto, S.
  • Journal Title: The Journal of Physical Chemistry B Volume: 123 Pages: 66-70
  • DOI: 10.1021/acs.jpcb.8b09253
  • Peer Reviewed
• [Journal Article] Structure of a green algal photosystem I in complex with a large number of light-harvesting complex I subunits (2019)
  • Author(s): Qin Xiaochun、Pi Xiong、Wang Wenda、Han Guangye、Zhu Lixia、Liu Mingmei、Cheng Linpeng、Shen Jian-Ren、Kuang Tingyun、Sui Sen-Fang
  • Journal Title: Nature Plants Volume: 5 Pages: 263-272
  • DOI: 10.1038/s41477-019-0379-y
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Structural basis for blue-green light harvesting and energy dissipation in diatoms (2019)
  • Author(s): Wang Wenda、Yu Long-Jiang、Xu Caizhe、Tomizaki Takashi、Zhao Songhao、Umena Yasufumi、Chen Xiaobo、Qin Xiaochun、Xin Yueyong、Suga Michihiro、Han Guangye、Kuang Tingyun、Shen Jian-Ren
  • Journal Title: Science Volume: 363
  • DOI: 10.1126/science.aav0365
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Cobalt/Cobalt Oxide Surface for Water Oxidation (2019)
  • Author(s): Feizi Hadi、Bagheri Robabeh、Song Zhenlun、Shen Jian-Ren、Allakhverdiev Suleyman I.、Najafpour Mohammad Mahdi
  • Journal Title: ACS Sustainable Chemistry & Engineering Volume: 7 Pages: 6093-6105
  • DOI: 10.1021/acssuschemeng.8b06269
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Redox transients of P680 associated with the incremental chlorophyll‐ a fluorescence yield rises elicited by a series of saturating flashes in diuron‐treated photosystem II core complex of Thermosynechococcus vulcanus (2019)
  • Author(s): Sipka Gabor、Muller Pavel、Brettel Klaus、Magyar Melinda、Kovacs Laszlo、Zhu Qingjun、Xiao Yanan、Han Guangye、Lambrev Petar H.、Shen Jian‐Ren、Garab Gyozo
  • Journal Title: Physiologia Plantarum Volume: 166 Pages: 22-32
  • DOI: 10.1111/ppl.12945
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Ultrafast excitation-energy dynamics in diatom photosystem I-antenna complex: A femtosecond fluorescence upconversion study (2019)
  • Author(s): Nagao, R., Kagatani, K., Ueno, Y., Shen, J.-R., Akimoto, S.
  • Journal Title: The Journal of Physical Chemistry B Volume: 123 Pages: 2673-2678
  • DOI: 10.1021/acs.jpcb.8b12086
  • Peer Reviewed
• [Journal Article] UNO DMRG CAS CI calculations of binuclear manganese complex Mn(IV) 2 O 2 (NHCHCO 2 ) 4 : Scope and applicability of Heisenberg model (2019)
  • Author(s): Kawakami Takashi、Miyagawa Koichi、Sharma Sandeep、Saito Toru、Shoji Mitsuo、Yamada Satoru、Yamanaka Shusuke、Okumura Mitsutaka、Nakajima Takahito、Yamaguchi Kizashi
  • Journal Title: J. Comput. Chem. Volume: 40 Pages: 333-341
  • DOI: 10.1002/jcc.25602
  • Peer Reviewed
• [Journal Article] Concerted bond switching mechanism coupled with one-electron transfer for the oxygen-oxygen bond formation in the oxygen-evolving complex of photosystem II (2019)
  • Author(s): Shoji Mitsuo、Isobe Hiroshi、Yamaguchi Kizashi
  • Journal Title: Chemical Physics Letters Volume: 714 Pages: 219-226
  • DOI: 10.1016/j.cplett.2018.10.041
  • Peer Reviewed
• [Journal Article] Possibility of the right-opened Mn-oxo intermediate (R-oxo(4444)) among all nine intermediates in the S3 state of the oxygen-evolving complex of photosystem II revealed by large-scale QM/MM calculations (2019)
  • Author(s): Shoji Mitsuo、Isobe Hiroshi、Miyagawa Koichi、Yamaguchi Kizashi
  • Journal Title: Chemical Physics Letters Volume: 518 Pages: 81-90
  • DOI: 10.1016/j.chemphys.2018.11.003
  • Peer Reviewed
• [Journal Article] Theoretical and computational investigations of geometrical, electronic and spin structures of the CaMn4OX (X=5, 6) cluster in the Kok cycle Si (i=0-3) of oxygen evolving complex of photosystem II (2019)
  • Author(s): Yamaguchi Kizashi、Yamanaka Shusuke、Isobe Hiroshi、Shoji Mitsuo、Miyagawa Kouichi、Nakajima Takahito、Kawakami Takashi、Okumura Mitsutaka
  • Journal Title: Physiologia Plantarum Volume: 166 Pages: 44-59
  • DOI: 10.1111/ppl.12960
  • Peer Reviewed
• [Journal Article] Linear Response Functions of Densities and Spin Densities for Systematic Modeling of the QM/MM Approach for Mono- and Poly-Nuclear Transition Metal Systems (2019)
  • Author(s): Kitakawa Colin、Maruyama Tomohiro、Oonari Jinta、Mitsuta Yuki、Kawakami Takashi、Okumura Mitsutaka、Yamaguchi Kizashi、Yamanaka Shusuke
  • Journal Title: Molecules Volume: 24 Pages: 821-821
  • DOI: 10.3390/molecules24040821
  • Peer Reviewed
• [Journal Article] 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 (2019)
  • Author(s): Shoji Mitsuo、Isobe Hiroshi、Yamanaka Shusuke、Umena Yasufumi、Kawakami Keisuke、Kamiya Nobuo、Yamaguchi Kizashi
  • Journal Title: Adv. Q. Chem. Volume: 78 Pages: 307-451
  • DOI: 10.1016/bs.aiq.2018.05.003
  • Peer Reviewed
• [Journal Article] Structure of photosynthetic LH1-RC supercomplex at 1.9 A resolution (2018)
  • Author(s): Yu Long-Jiang、Suga Michihiro、Wang-Otomo Zheng-Yu、Shen Jian-Ren
  • Journal Title: Nature Volume: 556 Pages: 209-213
  • DOI: 10.1038/s41586-018-0002-9
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] A siphonous morphology affects light-harvesting modulation in the intertidal green macroalga Bryopsis corticulans (Ulvophyceae) (2018)
  • Author(s): Giovagnetti Vasco、Han Guangye、Ware Maxwell A.、Ungerer Petra、Qin Xiaochun、Wang Wen-Da、Kuang Tingyun、Shen Jian-Ren、Ruban Alexander V.
  • Journal Title: Planta Volume: 247 Pages: 1293-1306
  • DOI: 10.1007/s00425-018-2854-5
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Unique organization of photosystem I-light harvesting supercomplex revealed by cryo-EM from a red alga (2018)
  • Author(s): Pi X., Tian L., Dai H.-E., Qin X., Cheng L., Kuang T., Sui S.-F., Shen J.-R.
  • Journal Title: Proceedings of the National Academy of Sciences Volume: 115 Pages: 4423-4428
  • DOI: 10.1073/pnas.1722482115
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Fourier Transform Infrared Analysis of the S-State Cycle of Water Oxidation in the Microcrystals of Photosystem II (2018)
  • Author(s): Kato Yuki、Akita Fusamichi、Nakajima Yoshiki、Suga Michihiro、Umena Yasufumi、Shen Jian-Ren、Noguchi Takumi
  • Journal Title: J. Phys. Chem. Lett. Volume: 9 Pages: 2121-2126
  • DOI: 10.1021/acs.jpclett.8b00638
  • Peer Reviewed / Open Access
• [Journal Article] Alterations of pigment composition and their interactions in response to different light conditions in the diatom Chaetoceros gracilis probed by time-resolved fluorescence spectroscopy (2018)
  • Author(s): Nagao, R., Ueno, Y., Yokono, M., Shen, J.-R., Akimoto, S.
  • Journal Title: Biochimica et Biophysica Acta (BBA) - Bioenergetics Volume: 1859 Pages: 524-530
  • DOI: 10.1016/j.bbabio.2018.04.003
  • Peer Reviewed
• [Journal Article] Biohybrid solar cells: Fundamentals, progress, and challenges (2018)
  • Author(s): Musazade E., Voloshin R., Brady N., Mondal J., Atashova S., Zharmukhamedov S. K., Huseynova I., Ramakrishna S., Najafpour M. M., Shen J.-R., Bruce B. D., Allakhverdiev S. I.
  • Journal Title: Journal of Photochemistry and Photobiology C: Photochemistry Reviews Volume: 35 Pages: 134-156
  • DOI: 10.1016/j.jphotochemrev.2018.04.001
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Thylakoid membrane lipid sulfoquinovosyl-diacylglycerol (SQDG) is required for full functioning of photosystem II in Thermosynechococcus elongatus (2018)
  • Author(s): Nakajima, Y., Umena, Y., Nagao, R., Endo, K., Kobayashi, K., Akita, F., Suga, M., Wada, H., Noguchi, T., Shen, J.-R.
  • Journal Title: Journal of Biological Chemistry Volume: 293 Pages: 14786-14797
  • DOI: 10.1074/jbc.ra118.004304
  • Peer Reviewed / Open Access
• [Journal Article] Novel features of LH1-RC from Thermochromatium tepidum revealed from its atomic resolution structure (2018)
  • Author(s): Yu Long-Jiang、Suga Michihiro、Wang-Otomo Zheng-Yu、Shen Jian-Ren
  • Journal Title: The FEBS Journal Volume: 285 Pages: 4359-4366
  • DOI: 10.1111/febs.14679
  • Peer Reviewed
• [Journal Article] A transparent electrode with water-oxidizing activity (2018)
  • Author(s): Azadi G., Bagheri R., Bikas R., Mousazade Y., Cui J., Song Z., Kinzhybalo V., Shen J.-R., Allakhverdiev S. I., Najafpour M. M.
  • Journal Title: International Journal of Hydrogen Energy Volume: 43 Pages: 22896-22904
  • DOI: 10.1016/j.ijhydene.2018.10.146
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Biochemical characterization of photosystem I complexes having different subunit compositions of fucoxanthin chlorophyll a/c-binding proteins in the diatom Chaetoceros gracilis (2018)
  • Author(s): Nagao, R., Ueno, Y., Akita, F., Suzuki, T., Dohmae, N., Akimoto, S., Shen, J.-R.
  • Journal Title: Photosynthesis Research Volume: 印刷中 Pages: 141-149
  • DOI: 10.1007/s11120-018-0576-y
  • Peer Reviewed
• [Journal Article] Understanding Two Different Structures in the Dark Stable State of the Oxygen-Evolving Complex of Photosystem?II: Applicability of the Jahn-Teller Deformation Formula (2018)
  • Author(s): Shoji Mitsuo、Isobe Hiroshi、Tanaka Ayako、Fukushima Yoshimasa、Kawakami Keisuke、Umena Yasufumi、Kamiya Nobuo、Nakajima Takahito、Yamaguchi Kizashi
  • Journal Title: ChemPhotoChem Volume: 2 Pages: 257-270
  • DOI: 10.1002/cptc.201700162
  • Peer Reviewed / Open Access
• [Journal Article] Relative stability between the manganese hydroxide- and oxo-models for water oxidation by CCSD, DMRG CASCI, CASSCF, CASPT2 and CASDFT methods ; Importance of static and dynamical electron correlation effects for OEC of PSII (2018)
  • Author(s): Kawakami, T. ; Miyagawa, K. ; Isobe, H. ; Shoji, M. ; Yamanaka, S. ; Katouda, M. ; Nakajima, T. ; Nakatani, K. ; Okumura, M. ; Yamaguchi, K.
  • Journal Title: Chem. Phys. Lett. Volume: 705 Pages: 85-91
  • DOI: 10.1016/j.cplett.2018.05.046
  • Peer Reviewed
• [Journal Article] Development of approximate spin projection method and its application for elucidation of electronic structures, molecular structures and physical properties of polynuclear metal complexes (2018)
  • Author(s): Kitagawa Yasutaka、Saito Toru、Yamaguchi Kizashi
  • Journal Title: Bull. Jpn. Soc. Coord. Chem. Volume: 71 Issue: 0 Pages: 57-68
  • DOI: 10.4019/bjscc.71.57
  • NAID: 130007438867
  • ISSN: 1882-6954, 1883-1737
  • Peer Reviewed / Open Access
• [Journal Article] Concerted Mechanism of Water Insertion and O2 Release during the S4 to S0 Transition of the Oxygen-Evolving Complex in Photosystem II (2018)
  • Author(s): Shoji Mitsuo、Isobe Hiroshi、Shigeta Yasuteru、Nakajima Takahito、Yamaguchi Kizashi
  • Journal Title: The Journal of Physical Chemistry B Volume: 122 Pages: 6491-6502
  • DOI: 10.1021/acs.jpcb.8b03465
  • Peer Reviewed
• [Journal Article] Approximate Spin Projection for Broken-Symmetry Method and Its Application (2018)
  • Author(s): Kitagawa Yasutaka、Saito Toru、Yamaguchi Kizashi
  • Journal Title: IntechOpen Volume: - Pages: 122-139
  • DOI: 10.5772/intechopen.75726
  • Peer Reviewed / Open Access
• [Journal Article] Structured Near-Infrared Magnetic Circular Dichroism spectra of the Mn4CaO5 cluster of PS II in T. Vulcanus are dominated by Mn(IV) d-d ‘spin-flip’ transitions (2018)
  • Author(s): Morton J., Chrysina M., Craig V. S.J., Akita F., Nakajima Y., Lubitz W., Cox N., Shen J.-R., and Krausz E.
  • Journal Title: Biochimica et Biophysica Acta (BBA) - Bioenergetics Volume: 1859 Pages: 88-98
  • DOI: 10.1016/j.bbabio.2017.10.004
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Journal Article] An aluminum/cobalt/iron/nickel alloy as a precatalyst for water oxidation (2018)
  • Author(s): Najafpour M. M., Mehrabani S., Bagheri R., Song Z., Shen J.-R., Allakhverdiev S. I.
  • Journal Title: Inter. J. Hydrogen Energy Volume: 43 Pages: 2083-2090
  • DOI: 10.1016/j.ijhydene.2017.12.025
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] The deep red state of photosystem II in Cyanidioschyzon merolae (2018)
  • Author(s): Langley J., Morton J., Purchase R., Tian L., Shen L., Han G., Shen J.-R., Krausz E.
  • Journal Title: Photosynthetica Volume: 56 Pages: 275-278
  • DOI: 10.1007/s11099-017-0760-x
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Rate-limiting steps in the dark-to-light transition of Photosystem II - revealed by chlorophyll-a fluorescence induction (2018)
  • Author(s): Magyar M., Sipka G., Kovacs L., Ughy B., Zhu Q., Han G., Spunda V., Lambrev P. H., Shen J.-R., Garab G.
  • Journal Title: Scientific Reports Volume: 8 Pages: 2755-2755
  • DOI: 10.1038/s41598-018-21195-2
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Theory of chemical bonds in metalloenzymes XXI. Possible mechanisms of water oxidation in oxygen evolving complex of photosystem II (2018)
  • Author(s): K. Yamaguchi, M. Shoji, H. Isobe, S. Yamanaka, T. Kawakami, S. Yamada, M. Katouda, T. Nakajima
  • Journal Title: Molecular Physics Volume: 116 Pages: 717-745
  • DOI: 10.1080/00268976.2018.1428375
  • Peer Reviewed
• [Journal Article] Functional role of Lys residues of Psb31 in electrostatic interactions with diatom photosystem II (2017)
  • Author(s): Nagao Ryo、Suzuki Takehiro、Dohmae Naoshi、Shen Jian-Ren、Tomo Tatsuya
  • Journal Title: FEBS Lett. Volume: 591 Pages: 3259-3264
  • DOI: 10.1002/1873-3468.12830
  • Peer Reviewed
• [Journal Article] Probing structure-function relationships in early events in photosynthesis using a chimeric photocomplex (2017)
  • Author(s): Nagashima K. V. P., Sasaki M., Hashimoto K., Takaichi S., Nagashima S., Yu L. -J., Abe Y., Gotou K., Kawakami T., Takenouchi, M. Shibuya Y., Yamaguchi A., Ohno T., Shen J. -R., Inoue K., Madigan M., Kimura Y., Wang-Otomo Z. -Y.
  • Journal Title: Proc. Natl. Acad. Sci. USA. Volume: 114 Pages: 10906-10911
  • DOI: 10.1073/pnas.1703584114
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] The crystal structure of Deg9 reveals a novel octameric-type HtrA protease (2017)
  • Author(s): Ouyang M., Li X., Zhao S., Pu H., Shen J. -R., Adam Z., Clausen T., Zhang L.
  • Journal Title: Nature Plants Volume: 3 Pages: 973-982
  • DOI: 10.1038/s41477-017-0060-2
  • Peer Reviewed / Int'l Joint Research
• [Presentation] Structural basis of energy harvesting and dissipation in diatom PSII-FCPII complexes revealed by cryo-electron microscopy (2019)
  • Author(s): Ryo Nagao, Fusamichi Akita, Koji Kato, Takehiro Suzuki, Kentaro Ifuku, Ikuo Uchiyama, Yasuhiro Kashino, Naoshi Dohmae, Seiji Akimoto, Naoyuki Miyazaki, Jian-Ren Shen
  • Organizer: 10th International Conference Photosynthesis and Hydrogen Energy Research for Sustainability
  • Int'l Joint Research
• [Presentation] FTIR study on the water oxidation reaction in photosystem II microcrystals (2019)
  • Author(s): Yuki Kato, Fusamichi Akita, Yoshiki Nakajima, Satoshi Haniu, Michihiro Suga, Yasufumi Umena, Jian-Ren Shen, Takumi Noguchi
  • Organizer: 10th International Conference Photosynthesis and Hydrogen Energy Research for Sustainability
  • Int'l Joint Research
• [Presentation] Structural biological studies on photosynthetic systems (2019)
  • Author(s): Jian-Ren Shen
  • Organizer: 10th International Conference Photosynthesis and Hydrogen Energy Research for Sustainability
  • Int'l Joint Research / Invited
• [Presentation] 領域活動と当グループの研究紹介 (2019)
  • Author(s): 沈 建仁
  • Organizer: 科研費・新学術領域「革新的光物質変換」合同班会議
• [Presentation] Mechanisms of Photosynthetic 'Light-Reactions' Revealed by a Combination of Advanced Structural Biology Approaches (2019)
  • Author(s): Jian-Ren Shen
  • Organizer: Gordon Research Conference on Photosynthesis
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of photosynthetic water oxidation (2019)
  • Author(s): Jian-Ren Shen, Fusamichi Akita, Yoshiki Nakajima, Michihiro Suga
  • Organizer: 19th International Conference on Biological Inorganic Chemistry
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of photosynthetic water oxidation (2019)
  • Author(s): Jian-Ren Shen
  • Organizer: 17th International Congress on Photobiology and the 18th Congress of the European Society for Photobiology (Photobiology-2019)
  • Int'l Joint Research / Invited
• [Presentation] The mechanism of photosynthetic water-splitting revealed by femtosecond X-ray free electron lasers (2019)
  • Author(s): Jian-Ren Shen, Fusamichi Akita, Yoshiki Nakajima, Michihiro Suga
  • Organizer: 17th International Congress on Photobiology and the 18th Congress of the European Society for Photobiology (Photobiology-2019)
  • Int'l Joint Research / Invited
• [Presentation] Structural changes of oxygen-evolving PSII during S-state transitions and a possible mechanism for oxygen evolving reaction revealed by X-ray free laser pulses revealed by X-ray free electron laser pulses (2019)
  • Author(s): Michi Suga, Jian-Ren Shen
  • Organizer: 7th International Congress on Photobiology and the 18th Congress of the European Society for Photobiology (Photobiology-2019)
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of photosynthetic water oxidation (2019)
  • Author(s): Jian-Ren Shen, Fusamichi Akita, Yoshiki Nakajima, Michihiro Suga
  • Organizer: 9th Asia and Oceania Conference on Photobiology (AOCP2019)
  • Int'l Joint Research / Invited
• [Presentation] Structural basis of energy harvesting and dissipation in diatom PSII-FCPII (2019)
  • Author(s): Ryo Nagao, Fusamichi Akitaa, Koji Kato, Takehiro Suzuki, Kentaro Ifuku, Ikuo Uchiyama, Yasuhiro Kashino, Naoshi Dohmae, Seiji Akimoto, Naoyuki Miyazaki, Jian-Ren Shen
  • Organizer: 9th Asia and Oceania Conference on Photobiology (AOCP2019)
  • Int'l Joint Research
• [Presentation] Mechanism of light-induced water-splitting studied by synchrotron X-rays and XFEL lasers (2019)
  • Author(s): Jian-Ren Shen
  • Organizer: The 13th International Conference on Biology and Synchrotron Radiation (BSR13)
  • Int'l Joint Research / Invited
• [Presentation] X-ray free electron laser reveals the molecular mechanism for water oxidation in nature (2019)
  • Author(s): Michi Suga, Jian-Ren Shen
  • Organizer: International Workshop on Frontier of Science and Technology for Solar Energy Conversion
  • Int'l Joint Research / Invited
• [Presentation] Mechanisms of light-induced water-oxidation and energy harvesting, transfer in natural photosynthesis (2019)
  • Author(s): Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research / Invited
• [Presentation] Intermediate Si-State Structures of Photosystem II Reveal the Molecular Mechanism for Water Oxidation in Nature (2019)
  • Author(s): Michihiro Suga, Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research / Invited
• [Presentation] Biochemical properties of photosystem I monomer, dimer, and tetramer from a cyanobacterium Anabaena sp. PCC 7120 (2019)
  • Author(s): Tian-Yi Jiang, Ryo Nagao, Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] X-ray crystallographic analysis of photosystem II from a PsbA2-only strain and its complex with bromoxynil (2019)
  • Author(s): Naoki Tone, Ugai Natusmi, Yoshiki Nakajima, Michihiro Suga, Fusamichi Akita, Yasufumi Umena, Akiko Nakagawa, Miwa Sugiura, Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] Structural analysis of a minor ferredoxin Fd2 and its comparison with Fd1 from Thermosynechococcus elongatus (2019)
  • Author(s): Taiki Motomura, Lidia Zuccarello, Yasufumi Umena, Alain Boussac, Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] Effects of cryoprotectant reagents on the efficiency of S-state transition of oxygen-evolving photosystem II (2019)
  • Author(s): Yoshiki Nakajima, Fusamichi Akita, Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] Cryo-EM structure of the diatom PSII-FCPII: Insights into the evolutionary development of light-harvesting complexes (2019)
  • Author(s): Ryo Nagao, Fusamichi Akita, Koji Kato, Takehiro Suzuki, Kentaro Ifuku, Ikuo Uchiyama, Yasuhiro Kashino, Naoshi Dohmae, Seiji Akimoto, Naoyuki Miyazaki, Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] Determination of excitation conditions for time-resolved serial femtosecond crystallography of PSII microcrystals and structural analysis of S2-state at room temperature (2019)
  • Author(s): Hongjie Li, Michihiro Suga, Yoshiki Nakajima, Minoru Kubo, Michihiro Sugahara, Shinichiro Yonerakura, Fusamichi Akita, So Iwata, Jian-Ren Shen
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] 光合成における光誘導水分解反応の分子機構 (2019)
  • Author(s): 沈 建仁
  • Organizer: 東北大学第19 回多元研研究発表会
  • Invited
• [Presentation] Mixed-Valence State of the Oxygen-Evolving Complex in Photosystem II, Determined by Utilization of X-ray Anomalous Dispersion Effect (2019)
  • Author(s): Nobuo, Kamiya; Keisuke, Kawakami; Ayako, Tanaka
  • Organizer: International Symposium on Diffraction Structural Biology ISDSB2019
  • Int'l Joint Research / Invited
• [Presentation] Roles of red-chlorophylls in lhigt-harvesting of cynanobacterial psi, as revealed by ultrafast spectroscopy (2019)
  • Author(s): Daisuke Kosumi, Hayata Yamamoto, Shuhei Yoshino, Masato Ueno, Keisuke Kawakami, and Nobuo Kamiya
  • Organizer: International Conference on Solar Fuel ISF3-young
  • Int'l Joint Research
• [Presentation] Energy transport in the phycobilisome-photosystem supercomplex from thermophilic cyanobacteria (2019)
  • Author(s): Yuma Hirota, Hiroki Serikawa, Keisuke Kawakami, and Nobuo Kamiya, Daisuke Kosumi
  • Organizer: International Conference on Solar Fuel ISF3-young
  • Int'l Joint Research
• [Presentation] Structural study of phycocyanin complex in phycobilisome by cryo-electron microscopy (2019)
  • Author(s): Keisuke Kawakami, Tasuku Hamaguchi, Yuhei O Tahara, Junko Shiomi, Daisuke Kosumi, Nobuo Kamiya, Makoto Miyata, Koji Yonekura
  • Organizer: International Conference on Solar Fuel ISF3-young
  • Int'l Joint Research
• [Presentation] Excitasion energy transfer dynamics of cyanobacterial photosynthetic antenna phycobilisome (2019)
  • Author(s): Daisuke Kosumi, Yuma Hirota, Hiroki Serikawa, Keisuke Kawakami, and Nobuo Kamiya
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] Valence frexibility of manganese atoms in the oxygen-evolving complex of photosystem II (2019)
  • Author(s): Nobuo Kamiya, Keisuke Kawakami, and Ayako Tanaka
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research / Invited
• [Presentation] Structural study of phycocyanin complex in phycobilisome involved in excitation energy transfer dynamics (2019)
  • Author(s): Keisuke Kawakami, Tasuku Hamaguchi, Yuhei Tahara, Zyunko Shiomi, Daisuke Kosumi, Nobuo Kamiya, Makoto Miyata, Koji Yonekura
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
  • Int'l Joint Research
• [Presentation] 光合成・光化学系IIの結晶の同型性と酸素発生クラスターのMn原子の価数 (2019)
  • Author(s): 神谷信夫
  • Organizer: X線の会
  • Invited
• [Presentation] 生命科学の飛躍のために一層深まる蛋白質結晶学の役割－光合成・光化学系IIのより確かな構造を求めて (2019)
  • Author(s): 神谷信夫
  • Organizer: 日本結晶学会年会
  • Invited
• [Presentation] Domain-based local pair natural orbital CCSD(T) calculations of all different S2 structures of oxygen evolving complex of photosystem II (2019)
  • Author(s): T. Kawakami, K. Miyagawa, Y. Suzuki, H. Isobe, M. Shoji, S. Yamanaka, M. Okumura, K. Nakatani, T. Nakajima, K. Yamaguchi
  • Organizer: 9th MQM (Molecular Quantum Mechanics) Conference
  • Int'l Joint Research
• [Presentation] Theoretical Evaluation of Relative Energy Difference between Fourteen Different S2 intermediates by High Accuracy DLPNO CCSD(T) Methods (2019)
  • Author(s): Takashi Kawakami,Koichi Miyagawa, Hiroshi Isobe, Mitsuo Shoji, Shusuke Yamanaka, Mitsutaka Okumura, Takahito Nakajima, Kizashi Yamaguchi
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
• [Presentation] Theoretical Evaluation of Relative Energy Difference among Different S3 intermediates by hybrid DFT and DLPNO-CCSD(T) Methods (2019)
  • Author(s): Kizashi Yamaguchi ,Takashi Kawakami,Koichi Miyagawa, Hiroshi Isobe, Mitsuo Shoji, Shusuke Yamanaka, Mitsutaka Okumura, Takahito Nakajima
  • Organizer: 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019)
• [Presentation] Electronic structures of CaMn4O5 cluster on oxygen evolving complex of photosystem II Theoretical calculations by LPNO-CC methods in the S2 state of the Kok cycle (2019)
  • Author(s): Takashi Kawakami,Koichi Miyagawa, Hiroshi Isobe, Mitsuo Shoji, Shusuke Yamanaka, Mitsutaka Okumura, Takahito Nakajima, Kizashi Yamaguchi
  • Organizer: 60th Sanibel Symposium
• [Presentation] 天然光合成における高効率光捕集・水分解の反応機構 (2019)
  • Author(s): 沈 建仁
  • Organizer: 平成30年度 産総研中国センター国際シンポジウム「SDGsの推進に資する化学技術と材料／タンパク質構造解析が切り拓く低環境負荷社会」
  • Invited
• [Presentation] Mechanism of water-splitting catalyzed by the Mn4CaO5-cluster of photosystem II (2019)
  • Author(s): Jian-Ren Shen
  • Organizer: 10th OCARINA International Symposium
  • Int'l Joint Research / Invited
• [Presentation] 巨大膜タンパク質複合体の高分解能構造解析から探る光合成の仕組み (2019)
  • Author(s): 沈 建仁
  • Organizer: 平成 30 年度第 2回構造生物構造生物学研究会
  • Invited
• [Presentation] Structural studies of large membrane-protein complexes involved in photosynthesis by a combination of X-ray crystallography and cryo-EM (2019)
  • Author(s): 沈 建仁
  • Organizer: 理化学研究所RSCクライオ電子顕微鏡シンポジウム
  • Invited
• [Presentation] 光合成で働く光化学系II・酸素発生クラスターの構造とMn原子の価数 (2019)
  • Author(s): 神谷信夫
  • Organizer: 触媒学会
  • Invited
• [Presentation] Mechanism of photosynthetic water-splitting catalyzed by the Mn4CaO5 metal cluster of photosystem II (2018)
  • Author(s): J.-R Shen, F. Akita, M. Suga
  • Organizer: 1st Asia-Oceania International Congress on Photosynthesis (AOICP2018)
  • Int'l Joint Research / Invited
• [Presentation] Crystal structure of LH1-RC complex from a purple sulfur bacterium Thermochromatium tedium (2018)
  • Author(s): L.-J. Yu, M. Suga, T. Kawakami, Y. Kimura, Z.-Y. Wang-Otomo, J.-R. Shen
  • Organizer: 1st Asia-Oceania International Congress on Photosynthesis (AOICP2018)
  • Int'l Joint Research / Invited
• [Presentation] Crystal structure of plant PSI-LHCI supercomplex and its energy transfer mechanism (2018)
  • Author(s): X. Qin, M. Suga, T. Kuang, J.-R. Shen
  • Organizer: 1st Asia-Oceania International Congress on Photosynthesis (AOICP2018)
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of photosynthetic water-splitting catalyzed by the Mn4CaO5 metal cluster in photosystem II (2018)
  • Author(s): Shen J.-R.
  • Organizer: 20th European Bioenergetics Conference (EBEC2018)
  • Int'l Joint Research / Invited
• [Presentation] Molecular mechanism of photosynthetic water oxidation (2018)
  • Author(s): Shen J.-R.
  • Organizer: Japan-Finland Seminar 2018 “Shaping photosynthesis against climate change and toward efficient water and nutrient management”
  • Int'l Joint Research / Invited
• [Presentation] Structural biological studies of photosynthetic membrane-protein complexes (2018)
  • Author(s): Shen J.-R.
  • Organizer: International Symposium on Photosynthesis and Chloroplast Biogensis
  • Int'l Joint Research / Invited
• [Presentation] 中性子回折による光化学系II光誘導水分解・酸素発生反応機構解明への期待 (2018)
  • Author(s): 沈 建仁
  • Organizer: iBIX将来構想検討会
  • Invited
• [Presentation] 光合成における光誘導水分解・酸素発生反応の分子機構 (2018)
  • Author(s): 沈 建仁
  • Organizer: 静岡大学理学部講演会
  • Invited
• [Presentation] Structural biological studies on photosynthetic membrane-protein complexes (2018)
  • Author(s): Jian-Ren Shen
  • Organizer: The 9th International Conference on Photosynthesis and Hydrogen Energy Research for Sustainability
  • Invited
• [Presentation] Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of oxygen evolving complex of photosystem II (2018)
  • Author(s): Kizashi Yamaguchi, Mitsuo Shoji, Hiroshi Isobe, Michi Suga, Fusamichi Akita, Jian-Ren Shen and Takahito Nakajima
  • Organizer: The 1st European Congress on Photosynthesis Research ePS-1
  • Int'l Joint Research
• [Presentation] 新学術領域研究内容の説明と研究グループの研究紹介 (2018)
  • Author(s): 沈 建仁
  • Organizer: 科研費・新学術領域「革新的光物質変換」第1回公開シンポジウム
• [Presentation] SQDG欠損変異株由来PSIIの結晶構造と機能解析 (2018)
  • Author(s): 中島芳樹, 梅名泰史, 遠藤嘉一郎, 長尾遼, 小林康一, 野口巧, 和田元, 沈建仁
  • Organizer: 科研費・新学術領域「革新的光物質変換」第1回公開シンポジウム
• [Presentation] Structure of photosynthetic LH1-RC complex at 1.9 A resolution (2018)
  • Author(s): L.-J. Yu, M. Suga1, Z.-Y. Wang-Otomo, J.-R. Shen
  • Organizer: 科研費・新学術領域「革新的光物質変換」第1回公開シンポジウム
• [Presentation] Mechanism of photosynthetic water-splitting catalyzed by the Mn4CaO5 metal cluster in photosystem II (2018)
  • Author(s): Jian-Ren Shen
  • Organizer: Gordon Research Conference on Metals in Biology
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of water oxidation in natural photosynthesis catalyzed by the Mn4CaO5-cluster of photosystem II (2018)
  • Author(s): Jian-Ren Shen
  • Organizer: Gordon Research Conference on Renewable Energy: Solar Fuels
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of photosynthetic water oxidation based on the structural analyses of photosystem II (2018)
  • Author(s): Jian-Ren Shen
  • Organizer: 5th International Workshop on Solar Energy for Sustainability, Bioenergetics: Oxygen Production and Reduction
  • Int'l Joint Research / Invited
• [Presentation] Crystal structure of PSII in the intermediate states and possible mechanism of O=O bond formation (2018)
  • Author(s): M. Suga, F. Akita, J.-R. Shen
  • Organizer: 5th International Workshop on Solar Energy for Sustainability, Bioenergetics: Oxygen Production and Reduction
• [Presentation] シリアルフェムト秒結晶解析により明らかにした光化学系IIの反応中間体の立体構造と酸素発生機構 (2018)
  • Author(s): 菅倫寛，秋田総理，菅原道泰，久保稔，中島芳樹，岩田想，沈建仁
  • Organizer: 第59回日本植物生理学会年会
• [Presentation] 好熱性シアノバクテリアThermosynechococcus elongatusにおけるマイナーフェレドキシンの構造解析 (2018)
  • Author(s): 本村大樹，Lidia Zuccarello，Alain Boussac，沈建仁
  • Organizer: 第59回日本植物生理学会年会
• [Presentation] 集光性フコキサンチンタンパク質と光化学系Iコアとの相互作用 (2018)
  • Author(s): 長尾遼，植野嘉文，秋本誠志，秋田総理，沈建仁
  • Organizer: 第59回日本植物生理学会年会
• [Presentation] 光合成水分解反応の仕組み－植物に学ぶ 光エネルギーの高効率利用（みどりの学術賞受賞講演） (2017)
  • Author(s): 沈 建仁
  • Organizer: 平成29年度みどりの学術賞受賞記念講演会
  • Invited
• [Presentation] Mechanism of photosynthetic water-splitting from a structural point of view (2017)
  • Author(s): Jian-Ren Shen
  • Organizer: Gordon Research Conference on Photosynthesis
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of photosynthetic water oxidation based on atomic structure of photosystem II (2017)
  • Author(s): Jian-Ren Shen
  • Organizer: IBC2017, The XIX International Botanical Congress
  • Int'l Joint Research / Invited
• [Presentation] 植物に学ぶ太陽光エネルギーの高効率利用ー岡山県三木記念賞受賞について (2017)
  • Author(s): 沈 建仁
  • Organizer: 岡山ロータリークラブ例会
  • Invited
• [Presentation] 新学術領域研究内容の紹介 (2017)
  • Author(s): 沈 建仁
  • Organizer: 科研費・新学術領域「革新的光物質変換」キックオフミーティング
• [Presentation] 光合成光化学系IIと光化学系I複合体の構造と機能に関する研究（植物学会学術賞受賞講演） (2017)
  • Author(s): 沈 建仁
  • Organizer: 日本植物学会第81回大会
  • Invited
• [Presentation] 光合成における光水分解反応の機構解明（錯体化学会貢献賞受賞講演） (2017)
  • Author(s): 沈 建仁
  • Organizer: 錯体化学討論会
  • Invited
• [Presentation] XFELによって明らかになった光化学系II水分解触媒の中間体構造と反応機構 (2017)
  • Author(s): 沈 建仁
  • Organizer: 第55回日本生物物理学会年会
  • Invited
• [Presentation] Molecular mechanism of photosynthetic water-splitting based on the atomic structure of photosystem II (2017)
  • Author(s): Jian-Ren Shen
  • Organizer: 15th Chinese and International Biophysics Congress
  • Int'l Joint Research / Invited
• [Presentation] 光合成水分解の仕組み ー光と水からエネルギーと酸素へ (2017)
  • Author(s): 沈 建仁
  • Organizer: 東京都中央区区民カレッジに「科学技術の最前線」
  • Invited
• [Presentation] 光合成の仕組みに迫る (2017)
  • Author(s): 沈 建仁
  • Organizer: JSTサイエンスアゴラ2017 越境する光科学
  • Invited
• [Presentation] Mechanism of light-induced water-splitting in natural photosynthesis (2017)
  • Author(s): Jian-Ren Shen
  • Organizer: 2nd International RINS Symposium (Okayama Science University)
  • Int'l Joint Research / Invited
• [Presentation] 光合成水分解反応の機構解明と革新的光物質変換 (2017)
  • Author(s): 沈 建仁
  • Organizer: 植物科学シンポジウム2017
  • Invited
• [Presentation] Structures of PSII with herbicides bound (2017)
  • Author(s): Jian-Ren Shen
  • Organizer: Japan-France Joint Workshop on the Structure and Function of Photosystem II
  • Int'l Joint Research / Invited
• [Presentation] Mechanism of photosynthetic water oxidation based on the structural analysis of photosystem II (2017)
  • Author(s): Jian-Ren Shen
  • Organizer: The Second International Symposium on Biofunctional Chemistry (ISBC2017)
  • Int'l Joint Research / Invited
• [Book] Methods in Enzymology - 613, Enzymes of Energy Technology (2018)
  • Author(s): Keisuke Kawakamia, Jian-Ren Shen
  • Publisher: Academic Press
• [Remarks] 新学術領域研究ホームページ
  • URL: http://photoenergy-conv.net/
• [Remarks] 新学術領域ホームページ
  • URL: http://photoenergy-conv.net/
• [Funded Workshop] 3rd International Solar Fuels Conference (ISF-3) and International Conference on Artificial Photosynthesis-2019 (ICARP2019) (2019)
• [Funded Workshop] International Conference on Solar Fuel ISF3-young (2019)