Necessity of structural rearrangements for O O bond formation between O5 and W2 in photosystem II

[1]  K. Tono,et al.  Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism , 2020, Proceedings of the National Academy of Sciences.

[2]  J. Messinger,et al.  Substrate water exchange in the S2 state of photosystem II is dependent on the conformation of the Mn4Ca cluster. , 2020, Physical chemistry chemical physics : PCCP.

[3]  D. Pantazis,et al.  Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL Data. , 2020, Annual review of biochemistry.

[4]  Hiroshi Isobe,et al.  An oxyl/oxo mechanism for oxygen-oxygen coupling in PSII revealed by an x-ray free-electron laser , 2019, Science.

[5]  Y. Pushkar,et al.  Early Binding of Substrate Oxygen is Responsible for Spectroscopically Distinct S2-State in Photosystem II. , 2019, The journal of physical chemistry letters.

[6]  P. J. O'malley,et al.  Proton Isomers Rationalize the High and Low Spin Forms of the S2 State Intermediate in the Water Oxidising Reaction of Photosystem 2. , 2019, The journal of physical chemistry letters.

[7]  F. Neese,et al.  Five-coordinate MnIV intermediate in the activation of nature’s water splitting cofactor , 2019, Proceedings of the National Academy of Sciences.

[8]  Licheng Sun,et al.  Across the Board: Licheng Sun on the Mechanism of O-O Bond Formation in Photosystem II. , 2019, ChemSusChem.

[9]  A. Boussac.  Temperature dependence of the high-spin S2 to S3 transition in Photosystem II: Mechanistic consequences. , 2019, Biochimica et biophysica acta. Bioenergetics.

[10]  D. Pantazis.  The S3 State of the Oxygen-Evolving Complex: Overview of Spectroscopy and XFEL Crystallography with a Critical Evaluation of Early-Onset Models for O–O Bond Formation , 2019, Inorganics.

[11]  Licheng Sun,et al.  Artificial photosynthesis: opportunities and challenges of molecular catalysts. , 2019, Chemical Society reviews.

[12]  S. Gul,et al.  Structural isomers of the S2 state in photosystem II: do they exist at room temperature and are they important for function? , 2019, Physiologia plantarum.

[13]  Nicholas K. Sauter,et al.  Structures of the intermediates of Kok’s photosynthetic water oxidation clock , 2018, Nature.

[14]  Licheng Sun,et al.  Why nature chose the Mn4CaO5 cluster as water-splitting catalyst in photosystem II: a new hypothesis for the mechanism of O-O bond formation. , 2018, Dalton transactions.

[15]  Dimitrios A. Pantazis,et al.  Missing Pieces in the Puzzle of Biological Water Oxidation , 2018, ACS Catalysis.

[16]  P. Siegbahn.  The S2 to S3 transition for water oxidation in PSII (photosystem II), revisited. , 2018, Physical chemistry chemical physics : PCCP.

[17]  L. Guidoni,et al.  Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics. , 2018, Chemistry.

[18]  Licheng Sun,et al.  Identifying MnVII-oxo Species during Electrochemical Water Oxidation by Manganese Oxide , 2018, iScience.

[19]  P. Siegbahn.  Computational investigations of S-3 structures related to a recent X-ray free electron laser study , 2017 .

[20]  D. Pantazis,et al.  The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge. , 2017, Journal of the American Chemical Society.

[21]  J. Barber.  A mechanism for water splitting and oxygen production in photosynthesis , 2017, Nature Plants.

[22]  L. Guidoni,et al.  Mechanism of Water Delivery to the Active Site of Photosystem II along the S(2) to S(3) Transition. , 2016, The journal of physical chemistry letters.

[23]  David J. Vinyard,et al.  Photosynthetic water oxidation: binding and activation of substrate waters for O-O bond formation. , 2015, Faraday discussions.

[24]  D. Pantazis,et al.  A five-coordinate Mn(iv) intermediate in biological water oxidation: spectroscopic signature and a pivot mechanism for water binding , 2015, Chemical science.

[25]  R. Burnap,et al.  Structural rearrangements preceding dioxygen formation by the water oxidation complex of photosystem II , 2015, Proceedings of the National Academy of Sciences.

[26]  L. Guidoni,et al.  Reorganization of substrate waters between the closed and open cubane conformers during the S2 to S3 transition in the oxygen evolving complex. , 2015, Biochemistry.

[27]  Jian-Ren Shen,et al.  A synthetic Mn4Ca-cluster mimicking the oxygen-evolving center of photosynthesis , 2015, Science.

[28]  R. D. Britt,et al.  An Mn(V)–oxo role in splitting water? , 2015, Proceedings of the National Academy of Sciences.

[29]  M. Haumann,et al.  Seven steps of alternating electron and proton transfer in photosystem II water oxidation traced by time-resolved photothermal beam deflection at improved sensitivity. , 2015, The journal of physical chemistry. B.

[30]  Kunio Hirata,et al.  Native structure of photosystem II at 1.95 Å resolution viewed by femtosecond X-ray pulses , 2014, Nature.

[31]  Frank Neese,et al.  Electronic structure of the oxygen-evolving complex in photosystem II prior to O-O bond formation , 2014, Science.

[32]  H. Nilsson,et al.  Substrate water exchange in photosystem II core complexes of the extremophilic red alga Cyanidioschyzon merolae. , 2014, Biochimica et biophysica acta.

[33]  F. Rappaport,et al.  Substrate–water exchange in photosystem II is arrested before dioxygen formation , 2014, Nature Communications.

[34]  R. Debus.  Evidence from FTIR difference spectroscopy that D1-Asp61 influences the water reactions of the oxygen-evolving Mn4CaO5 cluster of photosystem II. , 2014, Biochemistry.

[35]  M. Blomberg,et al.  Energy Diagrams for Water Oxidation in Photosystem II Using Different Density Functionals. , 2014, Journal of chemical theory and computation.

[36]  L. Guidoni,et al.  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. , 2013, Angewandte Chemie.

[37]  P. Siegbahn.  Water oxidation mechanism in photosystem II, including oxidations, proton release pathways, O-O bond formation and O2 release. , 2013, Biochimica et biophysica acta.

[38]  P. Siegbahn.  Substrate water exchange for the oxygen evolving complex in PSII in the S1, S2, and S3 states. , 2013, Journal of the American Chemical Society.

[39]  D. Pantazis,et al.  Two interconvertible structures that explain the spectroscopic properties of the oxygen-evolving complex of photosystem II in the S2 state. , 2012, Angewandte Chemie.

[40]  M. Haumann,et al.  Alternating electron and proton transfer steps in photosynthetic water oxidation , 2012, Proceedings of the National Academy of Sciences.

[41]  C. Kato,et al.  Time-resolved infrared detection of the proton and protein dynamics during photosynthetic oxygen evolution. , 2012, Biochemistry.

[42]  P. Siegbahn.  Mechanisms for proton release during water oxidation in the S2 to S3 and S3 to S4 transitions in photosystem II. , 2012, Physical chemistry chemical physics : PCCP.

[43]  Tian Lu,et al.  Multiwfn: A multifunctional wavefunction analyzer , 2012, J. Comput. Chem..

[44]  R. Burnap,et al.  The D1-D61N mutation in Synechocystis sp. PCC 6803 allows the observation of pH-sensitive intermediates in the formation and release of O₂ from photosystem II. , 2012, Biochemistry.

[45]  D. Pantazis,et al.  Theoretical evaluation of structural models of the S2 state in the oxygen evolving complex of Photosystem II: protonation states and magnetic interactions. , 2011, Journal of the American Chemical Society.

[46]  Haruki Nakamura,et al.  Possible mechanisms for the O–O bond formation in oxygen evolution reaction at the CaMn4O5(H2O)4 cluster of PSII refined to 1.9 Å X-ray resolution , 2011 .

[47]  Stefan Grimme,et al.  Effect of the damping function in dispersion corrected density functional theory , 2011, J. Comput. Chem..

[48]  H. Dau,et al.  Water oxidation by photosystem II: H(2)O-D(2)O exchange and the influence of pH support formation of an intermediate by removal of a proton before dioxygen creation. , 2010, Biochemistry.

[49]  R. Debus,et al.  Evidence 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-Glu329. , 2010, Biochemistry.

[50]  Martin Head-Gordon,et al.  LOBA: a localized orbital bonding analysis to calculate oxidation states, with application to a model water oxidation catalyst. , 2009, Physical chemistry chemical physics : PCCP.

[51]  P. Siegbahn.  Structures and energetics for O2 formation in photosystem II. , 2009, Accounts of chemical research.

[52]  C. Cramer,et al.  Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions. , 2009, The journal of physical chemistry. B.

[53]  T. Wydrzynski,et al.  18O-Water exchange in photosystem II: Substrate binding and intermediates of the water splitting cycle , 2008 .

[54]  H Holden Thorp,et al.  The possible role of proton-coupled electron transfer (PCET) in water oxidation by photosystem II. , 2007, Angewandte Chemie.

[55]  M. Kusunoki.  Mono-manganese mechanism of the photosystem II water splitting reaction by a unique Mn4Ca cluster. , 2007, Biochimica et biophysica acta.

[56]  Holger Dau,et al.  Eight steps preceding O-O bond formation in oxygenic photosynthesis--a basic reaction cycle of the Photosystem II manganese complex. , 2007, Biochimica et biophysica acta.

[57]  M. Haumann,et al.  Time-resolved X-ray spectroscopy leads to an extension of the classical S-state cycle model of photosynthetic oxygen evolution , 2007, Photosynthesis Research.

[58]  P. Siegbahn.  O-O bond formation in the S(4) state of the oxygen-evolving complex in photosystem II. , 2006, Chemistry.

[59]  G. Brudvig,et al.  Water-splitting chemistry of photosystem II. , 2006, Chemical reviews.

[60]  E. Knapp,et al.  Energetics of a possible proton exit pathway for water oxidation in photosystem II. , 2006, Biochemistry.

[61]  M. Grabolle,et al.  Photosynthetic O2 Formation Tracked by Time-Resolved X-ray Experiments , 2005, Science.

[62]  Kevin M. Smith,et al.  Understanding the reactivity of transition metal complexes involving multiple spin states , 2003 .

[63]  T. Wydrzynski,et al.  Oxygen ligand exchange at metal sites - implications for the O2 evolving mechanism of photosystem II. , 2001, Biochimica et biophysica acta.

[64]  R. Pace,et al.  EPR kinetic studies of oxygen release in thylakoids and PSII membranes: a kinetic intermediate in the S3 to S0 transition. , 1999, Biochemistry.

[65]  K. Irrgang,et al.  Application of the Marcus theory for analysis of the temperature dependence of the reactions leading to photosynthetic water oxidation: results and implications , 1998, JBIC Journal of Biological Inorganic Chemistry.

[66]  K. Irrgang,et al.  Analysis of the reaction coordinate of photosynthetic water oxidation by kinetic measurements of 355 nm absorption changes at different temperatures in photosystem II preparations suspended in either H2O or D2O. , 1997, Biochemistry.

[67]  J. Lavergne,et al.  Kinetics of electron transfer and electrochromic change during the redox transitions of the photosynthetic oxygen-evolving complex , 1994 .

[68]  G. Renger,et al.  Studies on the reaction coordinates of the water oxidase in PS II membrane fragments from spinach , 1992, FEBS letters.

[69]  G. Renger,et al.  Unusual low reactivity of the water oxidase in redox state S3 toward exogenous reductants. Analysis of the NH2OH- and NH2NH2-induced modifications of flash-induced oxygen evolution in isolated spinach thylakoids. , 1991, Biochemistry.

[70]  B. Ma,et al.  Recent Advances in Catalysts Based on Molecular Cubanes for Visible Light-Driven Water Oxidation , 2020 .

[71]  J. Lavergne,et al.  Estimation of the driving force for dioxygen formation in photosynthesis. , 2016, Biochimica et biophysica acta.

[72]  T. Noguchi.  Fourier transform infrared difference and time-resolved infrared detection of the electron and proton transfer dynamics in photosynthetic water oxidation. , 2015, Biochimica et biophysica acta.

[73]  J. Harvey.  Spin‐forbidden reactions: computational insight into mechanisms and kinetics , 2014 .

[74]  E. Knapp,et al.  PSII manganese cluster: protonation of W2, O5, O4 and His337 in the S1 state explored by combined quantum chemical and electrostatic energy computations. , 2014, Biochimica et biophysica acta.

[75]  M. Saraste,et al.  FEBS Lett , 2000 .

[76]  Faraday Discuss , 1985 .