Concerted bond switching mechanism coupled with one-electron transfer for the oxygen-oxygen bond formation in the oxygen-evolving complex of photosystem II

2019 ◽  
Vol 714 ◽  
pp. 219-226 ◽  
Author(s):  
Mitsuo Shoji ◽  
Hiroshi Isobe ◽  
Kizashi Yamaguchi
Keyword(s):  
Electron Transfer ◽  
Photosystem Ii ◽  
Bond Formation ◽  
Oxygen Evolving Complex ◽  
Switching Mechanism ◽  
Oxygen Oxygen ◽  
Oxygen Evolving ◽  
Oxygen Bond

Proton-Coupled Electron Transfer During the S-State Transitions of the Oxygen-Evolving Complex of Photosystem II

2015 ◽  
Vol 119 (24) ◽  
pp. 7366-7377 ◽  
Author(s):  
Muhamed Amin ◽  
Leslie Vogt ◽  
Witold Szejgis ◽  
Serguei Vassiliev ◽  
Gary W. Brudvig ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Photosystem Ii ◽  
State Transitions ◽  
Oxygen Evolving Complex ◽  
Proton Coupled Electron Transfer ◽  
Oxygen Evolving

Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation

Science ◽  
2014 ◽  
Vol 345 (6198) ◽  
pp. 804-808 ◽  
Author(s):  
N. Cox ◽  
M. Retegan ◽  
F. Neese ◽  
D. A. Pantazis ◽  
A. Boussac ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Photosystem Ii ◽  
Bond Formation ◽  
Oxygen Evolving Complex ◽  
Oxygen Evolving

scholarly journals Redox Potential of the Oxygen-Evolving Complex in the Electron Transfer Cascade of Photosystem II

2019 ◽  
Vol 11 (1) ◽  
pp. 249-255 ◽  
Author(s):  
Manoj Mandal ◽  
Keisuke Kawashima ◽  
Keisuke Saito ◽  
Hiroshi Ishikita
Keyword(s):  
Electron Transfer ◽  
Photosystem Ii ◽  
Redox Potential ◽  
Oxygen Evolving Complex ◽  
Oxygen Evolving

Large-scale QM/MM calculations of the CaMn4O5 cluster in the S3 state of the oxygen evolving complex of photosystem II. Comparison between water-inserted and no water-inserted structures

2017 ◽  
Vol 198 ◽  
pp. 83-106 ◽  
Author(s):  
Mitsuo Shoji ◽  
Hiroshi Isobe ◽  
Takahito Nakajima ◽  
Yasuteru Shigeta ◽  
Michihiro Suga ◽  
...  
Keyword(s):  
Photosystem Ii ◽  
Water Oxidation ◽  
Large Scale ◽  
Geometrical Structure ◽  
Bond Formation ◽  
Oxygen Evolving Complex ◽  
Computational Results ◽  
Hydroxide Anion ◽  
The Right ◽  
Oxygen Evolving

Large-scale QM/MM calculations were performed to elucidate an optimized geometrical structure of a CaMn4O5 cluster with and without water insertion in the S3 state of the oxygen evolving complex (OEC) of photosystem II (PSII). The left (L)-opened structure was found to be stable under the assumption of no hydroxide anion insertion in the S3 state, whereas the right (R)-opened structure became more stable if one water molecule is inserted to the Mn4Ca cluster. The optimized Mna(4)–Mnd(1) distance determined by QM/MM was about 5.0 Å for the S3 structure without an inserted hydroxide anion, but this is elongated by 0.2–0.3 Å after insertion. These computational results are discussed in relation to the possible mechanisms of O–O bond formation in water oxidation by the OEC of PSII.

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