Closing Kok's cycle of nature's water oxidation catalysis

Y Guo, L He, Y Ding, L Kloo, DA Pantazis… - Nature …, 2024 - nature.com
Abstract The Mn4CaO5 (6) cluster in photosystem II catalyzes water splitting through the S i
state cycle (i= 0–4). Molecular O2 is formed and the natural catalyst is reset during the final …

[HTML][HTML] Structural biology in the age of X-ray free-electron lasers and exascale computing

S Mous, F Poitevin, MS Hunter, DN Asthagiri… - Current Opinion in …, 2024 - Elsevier
Serial femtosecond X-ray crystallography has emerged as a powerful method for
investigating biomolecular structure and dynamics. With the new generation of X-ray free …

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) …

Effect of Rabi dynamics in resonant x-ray scattering of intense attosecond pulses

A Venkatesh, PJ Ho - Physical Review A, 2025 - APS
We theoretically study the effects of Rabi oscillations on resonant x-ray scattering in Ne+
using intense attosecond and few-femtosecond pulses. The total photon yield strongly …

Kinetics of reformation of the S0 state capable of progressing to the S1 state after the O2 release by photosystem II

A Boussac, J Sellés, M Sugiura - Photosynthesis Research, 2025 - Springer
The active site for water oxidation in photosystem II (PSII) comprises a Mn4CaO5 cluster
adjacent to a redox-active tyrosine residue (TyrZ). During the water-splitting process, the …

The physical chemistry of solar fuels catalysis

KL Mulfort, JJ Concepcion, B Dietzek-Ivanšić… - The Journal of …, 2024 - pubs.aip.org
The demonstration of effective light-driven electrochemical water splitting at the surface of a
TiO 2 electrode in the seminal 1972 Honda–Fujishima publication 1 spurred global research …

ExaFEL: extreme-scale real-time data processing for X-ray free electron laser science

JP Blaschke, R Bolotovsky, AS Brewster… - Frontiers in High …, 2024 - frontiersin.org
ExaFEL is an HPC-capable X-ray Free Electron Laser (XFEL) data analysis software suite
for both Serial Femtosecond Crystallography (SFX) and Single Particle Imaging (SPI) …

New insights into the involvement of residue D1/V185 in Photosystem II function in Synechocystis 6803 and Thermosynechococcus vestitus

A Boussac, J Sellés, M Sugiura, RL Burnap - bioRxiv, 2024 - biorxiv.org
The effects of D1-V185T and D1-V185N mutations in Photosystem II (PSII) from
Thermosynechococcus vestitus (formerly T. elongatus) and Synechocystis 6803 …

Sample efficient approaches in time-resolved X-ray serial crystallography and complementary X-ray emission spectroscopy using drop-on-demand tape-drive systems

JJAG Kamps, R Bosman, AM Orville… - Methods in …, 2024 - pubmed.ncbi.nlm.nih.gov
Dynamic structural biology enables studying biological events at the atomic scale from 10's
of femtoseconds to a few seconds duration. With the advent of X-ray Free Electron Lasers …

[PDF][PDF] Structural Biology in the age of X-ray Free Electron Lasers and Exascale Computing Sandra Mous, Frédéric Poitevin, Mark S. Hunter, Dilipkumar N. Asthagiri

TL Beck - newswise.com
Serial femtosecond X-ray crystallography has emerged as a powerful method for
investigating biomolecular structure and dynamics. With the new generation of X-ray free …