In situ X-ray spectroscopies beyond conventional X-ray absorption spectroscopy on deciphering dynamic configuration of electrocatalysts
Realizing viable electrocatalytic processes for energy conversion/storage strongly relies on
an atomic-level understanding of dynamic configurations on catalyst-electrolyte interface. X …
an atomic-level understanding of dynamic configurations on catalyst-electrolyte interface. X …
Serial femtosecond crystallography
TRM Barends, B Stauch, V Cherezov… - Nature reviews Methods …, 2022 - nature.com
With the advent of X-ray free-electron lasers (XFELs), new, high-throughput serial
crystallography techniques for macromolecular structure determination have emerged …
crystallography techniques for macromolecular structure determination have emerged …
Structural evidence for intermediates during O2 formation in photosystem II
In natural photosynthesis, the light-driven splitting of water into electrons, protons and
molecular oxygen forms the first step of the solar-to-chemical energy conversion process …
molecular oxygen forms the first step of the solar-to-chemical energy conversion process …
[HTML][HTML] DIALS: implementation and evaluation of a new integration package
The DIALS project is a collaboration between Diamond Light Source, Lawrence Berkeley
National Laboratory and CCP4 to develop a new software suite for the analysis of …
National Laboratory and CCP4 to develop a new software suite for the analysis of …
Structures of the intermediates of Kok's photosynthetic water oxidation clock
Inspired by the period-four oscillation in flash-induced oxygen evolution of photosystem II
discovered by Joliot in 1969, Kok performed additional experiments and proposed a five …
discovered by Joliot in 1969, Kok performed additional experiments and proposed a five …
Advances and challenges in time-resolved macromolecular crystallography
BACKGROUND Conformational changes are essential for the correct functioning of
biological macromolecules. Time-resolved x-ray crystallography extends an extremely …
biological macromolecules. Time-resolved x-ray crystallography extends an extremely …
Water networks in photosystem II using crystalline molecular dynamics simulations and room-temperature XFEL serial crystallography
MD Doyle, A Bhowmick, DC Wych… - Journal of the …, 2023 - ACS Publications
Structural dynamics of water and its hydrogen-bonding networks play an important role in
enzyme function via the transport of protons, ions, and substrates. To gain insights into these …
enzyme function via the transport of protons, ions, and substrates. To gain insights into these …
Untangling the sequence of events during the S2 → S3 transition in photosystem II and implications for the water oxidation mechanism
In oxygenic photosynthesis, light-driven oxidation of water to molecular oxygen is carried out
by the oxygen-evolving complex (OEC) in photosystem II (PS II). Recently, we reported the …
by the oxygen-evolving complex (OEC) in photosystem II (PS II). Recently, we reported the …
Using X-ray free-electron lasers for spectroscopy of molecular catalysts and metalloenzymes
The metal centres in metalloenzymes and molecular catalysts are responsible for the
rearrangement of atoms and electrons during complex chemical reactions, and they enable …
rearrangement of atoms and electrons during complex chemical reactions, and they enable …
[HTML][HTML] Recent results in time resolved serial femtosecond crystallography at XFELs
AM Orville - Current Opinion in Structural Biology, 2020 - Elsevier
Highlights•Time-resolved serial femtosecond crystallography (tr-SFX) probes structure and
function in each sample.•X-ray free electron lasers (XFELS) provide atomic and electronic …
function in each sample.•X-ray free electron lasers (XFELS) provide atomic and electronic …