Water oxidation in oxygenic photosynthesis studied by magnetic resonance techniques
The understanding of light‐induced biological water oxidation in oxygenic photosynthesis is
of great importance both for biology and (bio) technological applications. The chemically …
of great importance both for biology and (bio) technological applications. The chemically …
Successes, challenges, and opportunities for quantum chemistry in understanding metalloenzymes for solar fuels research
M Orio, DA Pantazis - Chemical Communications, 2021 - pubs.rsc.org
Quantum chemical approaches today are a powerful tool to study the properties and
reactivity of metalloenzymes. In the field of solar fuels research these involve predominantly …
reactivity of metalloenzymes. In the field of solar fuels research these involve predominantly …
Nature of S-states in the oxygen-evolving complex resolved by high-energy resolution fluorescence detected X-ray absorption spectroscopy
Photosystem II, the water splitting enzyme of photosynthesis, utilizes the energy of sunlight
to drive the four-electron oxidation of water to dioxygen at the oxygen-evolving complex …
to drive the four-electron oxidation of water to dioxygen at the oxygen-evolving complex …
Does serial femtosecond crystallography depict state-specific catalytic intermediates of the oxygen-evolving complex?
Recent advances in serial femtosecond crystallography (SFX) of photosystem II (PSII),
enabled by X-ray free electron lasers (XFEL), provided the first geometric models of distinct …
enabled by X-ray free electron lasers (XFEL), provided the first geometric models of distinct …
Orientational Jahn–teller isomerism in the dark‐stable state of Nature's water oxidase
M Drosou, G Zahariou, DA Pantazis - Angewandte Chemie, 2021 - Wiley Online Library
The tetramanganese–calcium cluster of the oxygen‐evolving complex of photosystem II
adopts electronically and magnetically distinct but interconvertible valence isomeric forms in …
adopts electronically and magnetically distinct but interconvertible valence isomeric forms in …
Independent Mutation of Two Bridging Carboxylate Ligands Stabilizes Alternate Conformers of the Photosynthetic O2-Evolving Mn4CaO5 Cluster in Photosystem II
RJ Debus, PH Oyala - The Journal of Physical Chemistry B, 2024 - ACS Publications
The O2-evolving Mn4CaO5 cluster in photosystem II is ligated by six carboxylate residues.
One of these is D170 of the D1 subunit. This carboxylate bridges between one Mn ion (Mn4) …
One of these is D170 of the D1 subunit. This carboxylate bridges between one Mn ion (Mn4) …
Redox Isomerism in the S3 State of the Oxygen‐Evolving Complex Resolved by Coupled Cluster Theory
M Drosou, DA Pantazis - Chemistry–A European Journal, 2021 - Wiley Online Library
The electronic and geometric structures of the water‐oxidizing complex of photosystem II in
the steps of the catalytic cycle that precede dioxygen evolution remain hotly debated. Recent …
the steps of the catalytic cycle that precede dioxygen evolution remain hotly debated. Recent …
CaMn3IVO4 Cubane Models of the Oxygen‐Evolving Complex: Spin Ground States S<9/2 and the Effect of Oxo Protonation
We report the single crystal XRD and MicroED structure, magnetic susceptibility, and EPR
data of a series of CaMn3IVO4 and YMn3IVO4 complexes as structural and spectroscopic …
data of a series of CaMn3IVO4 and YMn3IVO4 complexes as structural and spectroscopic …
Roles of the Flexible Primary Coordination Sphere of the Mn4CaOx Cluster: What Are the Immediate Decay Products of the S3 State?
The primary coordination sphere of the multinuclear cofactor (Mn4CaO x) in the oxygen-
evolving complex (OEC) of photosystem II is absolutely conserved to maintain its structure …
evolving complex (OEC) of photosystem II is absolutely conserved to maintain its structure …
S3 State Models of Nature's Water Oxidizing Complex: Analysis of Bonding and Magnetic Exchange Pathways, Assessment of Experimental Electron Paramagnetic …
TA Corry, PJ O'Malley - The Journal of Physical Chemistry B, 2021 - ACS Publications
Broken symmetry density functional theory (BS-DFT) calculations on large models of
Nature's water oxidizing complex (WOC) are used to investigate the electronic structure and …
Nature's water oxidizing complex (WOC) are used to investigate the electronic structure and …