Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II.
about
Proton-coupled electron transferMn4Ca cluster in photosynthesis: where and how water is oxidized to dioxygenMolecular mechanisms for generating transmembrane proton gradientsMechanism of interaction of Al3+ with the proteins composition of photosystem IIFrom natural to artificial photosynthesisEnvironment of TyrZ in photosystem II from Thermosynechococcus elongatus in which PsbA2 is the D1 proteinEnergy conversion in natural and artificial photosynthesisActivation of a water molecule using a mononuclear Mn complex: from Mn-aquo, to Mn-hydroxo, to Mn-oxyl via charge compensation.Inorganic chemistry. A synthetic Mn₄Ca-cluster mimicking the oxygen-evolving center of photosynthesis.Nucleophilic water attack is not a possible mechanism for O-O bond formation in photosystem II[(H2O)(terpy)Mn(mu-O)2Mn(terpy)(OH2)](NO3)3 (terpy = 2,2':6,2''-terpyridine) and its relevance to the oxygen-evolving complex of photosystem II examined through pH dependent cyclic voltammetryEvidence from FTIR difference spectroscopy of an extensive network of hydrogen bonds near the oxygen-evolving Mn(4)Ca cluster of photosystem II involving D1-Glu65, D2-Glu312, and D1-Glu329The MoD-QM/MM methodology for structural refinement of photosystem II and other biological macromolecules.Detection of an intermediary, protonated water cluster in photosynthetic oxygen evolution.Participation of glutamate-354 of the CP43 polypeptide in the ligation of manganese and the binding of substrate water in photosystem IIProton coupled electron transfer and redox active tyrosines in Photosystem IIOxomanganese complexes for natural and artificial photosynthesis.Structural rearrangements preceding dioxygen formation by the water oxidation complex of photosystem II.Similarities of artificial photosystems by ruthenium oxo complexes and native water splitting systems.The open-cubane oxo-oxyl coupling mechanism dominates photosynthetic oxygen evolution: a comprehensive DFT investigation on O-O bond formation in the S4 state.Computational studies of the O(2)-evolving complex of photosystem II and biomimetic oxomanganese complexesElectrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II.Computational insights into the O2-evolving complex of photosystem II.A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulationsRole of Oxido Incorporation and Ligand Lability in Expanding Redox Accessibility of Structurally Related Mn4 Clusters.Photosynthetic energy conversion: natural and artificial.Density functional theory.The MOD-QM/MM Method: Applications to Studies of Photosystem II and DNA G-Quadruplexes.The evolution of Photosystem II: insights into the past and future.Geometrical properties of the manganese(iv)/iron(iii) cofactor of Chlamydia trachomatis ribonucleotide reductase unveiled by simulations of XAS spectra.Photosynthetic water oxidation vs. mitochondrial oxygen reduction: distinct mechanistic parallels.Why nature chose Mn for the water oxidase in Photosystem II.Proton transport facilitating water-oxidation: the role of second sphere ligands surrounding the catalytic metal cluster.The S2 state of the oxygen-evolving complex of photosystem II explored by QM/MM dynamics: spin surfaces and metastable states suggest a reaction path towards the S3 state.'Photosystem II: the water splitting enzyme of photosynthesis and the origin of oxygen in our atmosphere'.How does ammonia bind to the oxygen-evolving complex in the S2 state of photosynthetic water oxidation? Theoretical support and implications for the W1 substitution mechanism.Interaction of methanol with the oxygen-evolving complex: atomistic models, channel identification, species dependence, and mechanistic implications.Photocatalytic Water Oxidation Using Manganese Compounds Immobilized in Nafion Polymer MembranesAn anionic N-donor ligand promotes manganese-catalyzed water oxidation.Redox inactive metal ion triggered N-dealkylation by an iron catalyst with dioxygen activation: a lesson from lipoxygenases.
P2860
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P2860
Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II.
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh-hant
name
Quantum mechanics/molecular me ...... r splitting in photosystem II.
@en
Quantum mechanics/molecular me ...... r splitting in photosystem II.
@nl
type
label
Quantum mechanics/molecular me ...... r splitting in photosystem II.
@en
Quantum mechanics/molecular me ...... r splitting in photosystem II.
@nl
prefLabel
Quantum mechanics/molecular me ...... r splitting in photosystem II.
@en
Quantum mechanics/molecular me ...... r splitting in photosystem II.
@nl
P2093
P356
P1476
Quantum mechanics/molecular me ...... r splitting in photosystem II.
@en
P2093
Eduardo M Sproviero
Gary W Brudvig
James P McEvoy
Victor S Batista
P304
P356
10.1021/JA076130Q
P407
P577
2008-02-22T00:00:00Z