Bertrand Gerey, Marcello Gennari, Eric Gouré, Jacques Pécaut, Allan Blackman, Dimitrios A. Pantazis, Frank Neese, Florian Molton, Jérôme Fortage, Carole Duboc and Marie-Noëlle Collomb

Dalton Trans., 2015, 44, 12757
DOI: 10.1039/C5DT01776A

Structural Reorganization of a Synthetic Mimic of the Oxygen-Evolving Center in Multiple Redox Transitions Revealed by Electrochemical FTIR Spectra

Mohan Wang, Ying Zhang, Changhui Chen, Chunxi Zhang, Junguang Jiang and Yuxiang Weng

J. Phys. Chem. Lett., 2021, 12, 9830
DOI: 10.1021/acs.jpclett.1c02689

One of the Substrate Waters for O2 Formation in Photosystem II Is Provided by the Water-Splitting Mn4CaO5 Cluster’s Ca2+ Ion

Christopher J. Kim and Richard J. Debus

Biochemistry, 2019, 58, 3185
DOI: 10.1021/acs.biochem.9b00418

Ammonia Binding to the Oxygen-Evolving Complex Probed by High-Energy Resolution Fluorescence Detected X-Ray Absorption Spectroscopy

Maria Chrysina, Maria Drosou, Dimitrios A. Pantazis and Serena DeBeer

J. Phys. Chem. B, 2025, 129, 3776
DOI: 10.1021/acs.jpcb.5c00269

Mn4Ca Cluster of Photosynthetic Oxygen-Evolving Center: Structure, Function and Evolution

James Barber

Biochemistry, 2016, 55, 5901
DOI: 10.1021/acs.biochem.6b00794

Tetranuclear [MnIIIMn3IVO4] Complexes as Spectroscopic Models of the S2 State of the Oxygen Evolving Complex in Photosystem II

Heui Beom Lee, Angela A. Shiau, Paul H. Oyala, David A. Marchiori, Sheraz Gul, Ruchira Chatterjee, Junko Yano, R. David Britt and Theodor Agapie

J. Am. Chem. Soc., 2018, 140, 17175
DOI: 10.1021/jacs.8b09961

Photosynthetic water splitting by the Mn4Ca2+OX catalyst of photosystem II: its structure, robustness and mechanism

James Barber

Quart. Rev. Biophys., 2017, 50
DOI: 10.1017/S0033583517000105

Ammonia Binds to the Dangler Manganese of the Photosystem II Oxygen-Evolving Complex

Paul H. Oyala, Troy A. Stich, Richard J. Debus and R. David Britt

J. Am. Chem. Soc., 2015, 137, 8829
DOI: 10.1021/jacs.5b04768

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

Dimitrios A. Pantazis

Inorganics, 2019, 7, 55
DOI: 10.3390/inorganics7040055

The Two Alternative Oxidation State Assignments of Manganese Ions: What S2 CW-EPR Multiline (ML) Signal Simulations Reveal?

Bernard Baituti and Leonard Akofang

Appl Magn Reson, 2020, 51, 389
DOI: 10.1007/s00723-020-01190-5

Evidence from FTIR Difference Spectroscopy That a Substrate H2O Molecule for O2 Formation in Photosystem II Is Provided by the Ca Ion of the Catalytic Mn4CaO5 Cluster

Christopher J. Kim and Richard J. Debus

Biochemistry, 2017, 56, 2558
DOI: 10.1021/acs.biochem.6b01278

Impact of D1-V185 on the Water Molecules That Facilitate O2 Formation by the Catalytic Mn4CaO5 Cluster in Photosystem II

Christopher J. Kim, Han Bao, Robert L. Burnap and Richard J. Debus

Biochemistry, 2018, 57, 4299
DOI: 10.1021/acs.biochem.8b00630

Proton exit pathways surrounding the oxygen evolving complex of photosystem II

Divya Kaur, Yingying Zhang, Krystle M. Reiss, Manoj Mandal, Gary W. Brudvig, Victor S. Batista and M.R. Gunner

Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2021, 1862, 148446
DOI: 10.1016/j.bbabio.2021.148446

Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?

Maria Drosou, Gerard Comas-Vilà, Frank Neese, Pedro Salvador and Dimitrios A. Pantazis

J. Am. Chem. Soc., 2023, 145, 10604
DOI: 10.1021/jacs.3c00489

Metal ion oxidation state assignment based on coordinating ligand hyperfine interaction

Paul H. Oyala, Troy A. Stich and R. David Britt

Photosynth Res, 2015, 124, 7
DOI: 10.1007/s11120-015-0086-0

The biological water-oxidizing complex at the nano–bio interface

Mohammad Mahdi Najafpour, Mohadeseh Zarei Ghobadi, Anthony W. Larkum, Jian-Ren Shen and Suleyman I. Allakhverdiev

Trends in Plant Science, 2015, 20, 559
DOI: 10.1016/j.tplants.2015.06.005

How chloride functions to enable proton conduction in photosynthetic water oxidation: Time-resolved kinetics of intermediates (S-states) in vivo and bromide substitution

Colin Gates, Jonah M. Williams, Gennady Ananyev and G. Charles Dismukes

Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2023, 1864, 148998
DOI: 10.1016/j.bbabio.2023.148998

What Can We Learn from a Biomimetic Model of Nature’s Oxygen-Evolving Complex?

Satadal Paul, Nicholas Cox and Dimitrios A. Pantazis

Inorg. Chem., 2017, 56, 3875
DOI: 10.1021/acs.inorgchem.6b02777

Magnetic Behavior of Heterometallic Wheels Having a [MnIV6M2O9]10+ Core with M = Ca2+ and Sr2+

Luis Escriche-Tur, Jesús Jover, Mercè Font-Bardia, Gabriel Aullón and Montserrat Corbella

Inorg. Chem., 2015, 54, 11596
DOI: 10.1021/acs.inorgchem.5b02131

Resolving the Manganese Oxidation States in the Oxygen‐evolving Catalyst of Natural Photosynthesis

Vera Krewald, Frank Neese and Dimitrios A. Pantazis

Israel Journal of Chemistry, 2015, 55, 1219
DOI: 10.1002/ijch.201500051

On the comparison between differential vibrational spectroscopy spectra and theoretical data in the carboxyl region of photosystem II

Matteo Capone, Daniele Narzi, Aliya Tychengulova and Leonardo Guidoni

Physiologia Plantarum, 2019, 166, 33
DOI: 10.1111/ppl.12949

QM/MM study of the S2 to S3 transition reaction in the oxygen-evolving complex of photosystem II

Mitsuo Shoji, Hiroshi Isobe and Kizashi Yamaguchi

Chemical Physics Letters, 2015, 636, 172
DOI: 10.1016/j.cplett.2015.07.039

Towards atom-level understanding of metal oxide catalysts for the oxygen evolution reaction with machine learning

Jaclyn R. Lunger, Jessica Karaguesian, Hoje Chun, Jiayu Peng, Yitong Tseo, Chung Hsuan Shan, Byungchan Han, Yang Shao-Horn and Rafael Gómez-Bombarelli

npj Comput Mater, 2024, 10
DOI: 10.1038/s41524-024-01273-y

Quantum chemical studies of structures and spin Hamiltonian parameters of iron transferrin using isolated and embedded clusters models

Lokpati Mishra and Mahesh Sundararajan

J Chem Sci, 2019, 131
DOI: 10.1007/s12039-019-1591-z

Manganese-calcium/strontium heterometallic compounds and their relevance for the oxygen-evolving center of photosystem II

Bertrand Gerey, Eric Gouré, Jérôme Fortage, Jacques Pécaut and Marie-Noëlle Collomb

Coordination Chemistry Reviews, 2016, 319, 1
DOI: 10.1016/j.ccr.2016.04.002

D1-S169A substitution of photosystem II reveals a novel S2-state structure

Ipsita Ghosh, Gourab Banerjee, Krystle Reiss, Christopher J. Kim, Richard J. Debus, Victor S. Batista and Gary W. Brudvig

Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2020, 1861, 148301
DOI: 10.1016/j.bbabio.2020.148301

Missing Pieces in the Puzzle of Biological Water Oxidation

Dimitrios A. Pantazis

ACS Catal., 2018, 8, 9477
DOI: 10.1021/acscatal.8b01928

Molecular Vibrations of an Oxygen‐Evolving Complex and Its Synthetic Mimic

Aliya Tychengulova, Mateo Capone, Fabio Pitari and Leonardo Guidoni

Chemistry A European J, 2019, 25, 13385
DOI: 10.1002/chem.201902621

Room-Temperature Energy-Sampling Kβ X-ray Emission Spectroscopy of the Mn4Ca Complex of Photosynthesis Reveals Three Manganese-Centered Oxidation Steps and Suggests a Coordination Change Prior to O2 Formation

Ivelina Zaharieva, Petko Chernev, Gustav Berggren, Magnus Anderlund, Stenbjörn Styring, Holger Dau and Michael Haumann

Biochemistry, 2016, 55, 4197
DOI: 10.1021/acs.biochem.6b00491

Pulsed Multifrequency Electron Paramagnetic Resonance Spectroscopy Reveals Key Branch Points for One- vs Two-Electron Reactivity in Mn/Fe Proteins

Effie C. Kisgeropoulos, Yunqiao J. Gan, Samuel M. Greer, Joseph M. Hazel and Hannah S. Shafaat

J. Am. Chem. Soc., 2022, 144, 11991
DOI: 10.1021/jacs.1c13738

Crystallographic Data Support the Carousel Mechanism of Water Supply to the Oxygen-Evolving Complex of Photosystem II

Jimin Wang, Mikhail Askerka, Gary W. Brudvig and Victor S. Batista

ACS Energy Lett., 2017, 2, 2299
DOI: 10.1021/acsenergylett.7b00750

Artificial photosynthesis: understanding water splitting in nature

Nicholas Cox, Dimitrios A. Pantazis, Frank Neese and Wolfgang Lubitz

Interface Focus., 2015, 5, 20150009
DOI: 10.1098/rsfs.2015.0009

Merging Structural Information from X-ray Crystallography, Quantum Chemistry, and EXAFS Spectra: The Oxygen-Evolving Complex in PSII

Petko Chernev, Ivelina Zaharieva, Emanuele Rossini, Artur Galstyan, Holger Dau and Ernst-Walter Knapp

J. Phys. Chem. B, 2016, 120, 10899
DOI: 10.1021/acs.jpcb.6b05800

The First State in the Catalytic Cycle of the Water-Oxidizing Enzyme: Identification of a Water-Derived μ-Hydroxo Bridge

Thomas Lohmiller, Vera Krewald, Arezki Sedoud, A. William Rutherford, Frank Neese, Wolfgang Lubitz, Dimitrios A. Pantazis and Nicholas Cox

J. Am. Chem. Soc., 2017, 139, 14412
DOI: 10.1021/jacs.7b05263

Water oxidation in oxygenic photosynthesis studied by magnetic resonance techniques

Wolfgang Lubitz, Dimitrios A. Pantazis and Nicholas Cox

FEBS Letters, 2023, 597, 6
DOI: 10.1002/1873-3468.14543

Broken Symmetry Approach to Magnetic Properties of Oligonuclear Transition-Metal Complexes: Application to Hyperfine Tensors of Mixed-Valence Manganese Compounds

Christine Mehlich and Christoph van Wüllen

J. Phys. Chem. C, 2019, 123, 7717
DOI: 10.1021/acs.jpcc.8b05806

Alteration of the O2-Producing Mn4Ca Cluster in Photosystem II by the Mutation of a Metal Ligand

Richard J. Debus

Biochemistry, 2021, 60, 3841
DOI: 10.1021/acs.biochem.1c00504

Spin State as a Marker for the Structural Evolution of Nature’s Water-Splitting Catalyst

Vera Krewald, Marius Retegan, Frank Neese, Wolfgang Lubitz, Dimitrios A. Pantazis and Nicholas Cox

Inorg. Chem., 2016, 55, 488
DOI: 10.1021/acs.inorgchem.5b02578

Water oxidation in photosystem II

Wolfgang Lubitz, Maria Chrysina and Nicholas Cox

Photosynth Res, 2019, 142, 105
DOI: 10.1007/s11120-019-00648-3

Pulse Electron Paramagnetic Resonance Studies of the Interaction of Methanol with the S2State of the Mn4O5Ca Cluster of Photosystem II

Paul H. Oyala, Troy A. Stich, Jamie A. Stull, Fangting Yu, Vincent L. Pecoraro and R. David Britt

Biochemistry, 2014, 53, 7914
DOI: 10.1021/bi501323h

Proposed mechanisms for water oxidation by Photosystem II and nanosized manganese oxides

Mohamad Mahdi Najafpour, Sima Heidari, S. Esmael Balaghi, Małgorzata Hołyńska, Moayad Hossaini Sadr, Behzad Soltani, Maasoumeh Khatamian, Anthony W. Larkum and Suleyman I. Allakhverdiev

Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2017, 1858, 156
DOI: 10.1016/j.bbabio.2016.11.007

Integration of a versatile bridge concept in a 34 GHz pulsed/CW EPR spectrometer

Alan Band, Matthew P. Donohue, Boris Epel, Shraeya Madhu and Veronika A. Szalai

Journal of Magnetic Resonance, 2018, 288, 28
DOI: 10.1016/j.jmr.2018.01.010

Comprehensive Evaluation of Models for Ammonia Binding to the Oxygen Evolving Complex of Photosystem II

Maria Drosou and Dimitrios A. Pantazis

J. Phys. Chem. B, 2024, 128, 1333
DOI: 10.1021/acs.jpcb.3c06304

An analysis of the structural changes of the oxygen evolving complex of Photosystem II in the S1 and S3 states revealed by serial femtosecond crystallography

Salma Yehia, Jimin Wang, Gary W. Brudvig, M.R. Gunner, Bernard R. Brooks and Muhamed Amin

Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2025, 1866, 149531
DOI: 10.1016/j.bbabio.2024.149531

Removal of Ca2+ from the Oxygen-Evolving Complex in Photosystem II Has Minimal Effect on the Mn4O5 Core Structure: A Polarized Mn X-ray Absorption Spectroscopy Study

Thomas Lohmiller, Megan L. Shelby, Xi Long, Vittal K. Yachandra and Junko Yano

J. Phys. Chem. B, 2015, 119, 13742
DOI: 10.1021/acs.jpcb.5b03559

Probing Axial Water Bound to Copper in Tutton Salt Using Single Crystal 17O-ESEEM Spectroscopy

Michael J. Colaneri and Jacqueline Vitali

J. Phys. Chem. A, 2018, 122, 6214
DOI: 10.1021/acs.jpca.8b04075

Seven Steps of Alternating Electron and Proton Transfer in Photosystem II Water Oxidation Traced by Time-Resolved Photothermal Beam Deflection at Improved Sensitivity

André Klauss, Michael Haumann and Holger Dau

J. Phys. Chem. B, 2015, 119, 2677
DOI: 10.1021/jp509069p

Anorganische Chemie 2014

Nachr Chem, 2015, 63, 227
DOI: 10.1002/nadc.201590090

Comparison between Experimental and Broken Symmetry Density Functional Theory (BS-DFT) Calculated Electron Paramagnetic Resonance (EPR) Parameters of the S2 State of the Oxygen-Evolving Complex of Photosystem II in Its Native (Calcium) and Strontium-Substituted Form

Nathan J. Beal, Thomas A. Corry and Patrick J. O’Malley

J. Phys. Chem. B, 2017, 121, 11273
DOI: 10.1021/acs.jpcb.7b09498

Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn–OH2/OH Motifs Relevant to H2O Activation by the Oxygen Evolving Complex in Photosystem II

Christopher J. Reed and Theodor Agapie

J. Am. Chem. Soc., 2018, 140, 10900
DOI: 10.1021/jacs.8b06426

Computational studies of the Mn4/Ca cluster in photosystem II

Bernard Baituti

J. Theor. Comput. Chem., 2018, 17, 1850007
DOI: 10.1142/S0219633618500074

Insights from Ca2+→Sr2+ substitution on the mechanism of O-O bond formation in photosystem II

Gabriel Bury and Yulia Pushkar

Photosynth Res, 2024, 162, 331
DOI: 10.1007/s11120-024-01117-2

Current Understanding of the Mechanism of Water Oxidation in Photosystem II and Its Relation to XFEL Data

Nicholas Cox, Dimitrios A. Pantazis and Wolfgang Lubitz

Annu. Rev. Biochem., 2020, 89, 795
DOI: 10.1146/annurev-biochem-011520-104801

Structural Effects of Ammonia Binding to the Mn4CaO5Cluster of Photosystem II

David A. Marchiori, Paul H. Oyala, Richard J. Debus, Troy A. Stich and R. David Britt

J. Phys. Chem. B, 2018, 122, 1588
DOI: 10.1021/acs.jpcb.7b11101

Recent developments in biological water oxidation

Montserrat Pérez-Navarro, Frank Neese, Wolfgang Lubitz, Dimitrios A Pantazis and Nicholas Cox

Current Opinion in Chemical Biology, 2016, 31, 113
DOI: 10.1016/j.cbpa.2016.02.007

Assignment of the slowly exchanging substrate water of nature’s water-splitting cofactor

Casper de Lichtenberg, Leonid Rapatskiy, Michael Reus, Eiri Heyno, Alexander Schnegg, Marc M. Nowaczyk, Wolfgang Lubitz, Johannes Messinger and Nicholas Cox

Proc. Natl. Acad. Sci. U.S.A., 2024, 121
DOI: 10.1073/pnas.2319374121

Roles of D1-Glu189 and D1-Glu329 in O2 Formation by the Water-Splitting Mn4Ca Cluster in Photosystem II

Christopher J. Kim and Richard J. Debus

Biochemistry, 2020, 59, 3902
DOI: 10.1021/acs.biochem.0c00541

The Structure of Photosystem II and the Mechanism of Water Oxidation in Photosynthesis

Jian-Ren Shen

Annu. Rev. Plant Biol., 2015, 66, 23
DOI: 10.1146/annurev-arplant-050312-120129

FTIR studies of metal ligands, networks of hydrogen bonds, and water molecules near the active site Mn4CaO5 cluster in Photosystem II

Richard J. Debus

Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2015, 1847, 19
DOI: 10.1016/j.bbabio.2014.07.007