Molecular photodissociation dynamics revealed by Coulomb explosion imaging

SW Crane, JWL Lee, MNR Ashfold… - Physical Chemistry …, 2023 - pubs.rsc.org
Coulomb explosion imaging (CEI) methods are finding ever-growing use as a means of
exploring and distinguishing the static stereo-configurations of small quantum systems …

Deciphering Photoinduced Catalytic Reaction Mechanisms in Natural and Artificial Photosynthetic Systems on Multiple Temporal and Spatial Scales Using X-ray …

LX Chen, J Yano - Chemical Reviews, 2024 - ACS Publications
Utilization of renewable energies for catalytically generating value-added chemicals is
highly desirable in this era of rising energy demands and climate change impacts. Artificial …

Solvent-dependent structural dynamics in the ultrafast photodissociation reaction of triiodide observed with time-resolved x-ray solution scattering

A Nimmrich, MR Panman, O Berntsson… - Journal of the …, 2023 - ACS Publications
Resolving the structural dynamics of bond breaking, bond formation, and solvation is
required for a deeper understanding of solution-phase chemical reactions. In this work, we …

RNA structures and dynamics with Å resolution revealed by x-ray free-electron lasers

KA Zielinski, S Sui, SA Pabit, DA Rivera, T Wang… - Science …, 2023 - science.org
RNA macromolecules, like proteins, fold to assume shapes that are intimately connected to
their broadly recognized biological functions; however, because of their high charge and …

Deciphering Charge Transfer Processes in Transition Metal Complexes from the Perspective of Ultrafast Electronic and Nuclear Motions

MW Mara, NP Weingartz, D Leshchev… - The Journal of …, 2024 - ACS Publications
Chemical transformations in charge transfer states result from the interplay between
electronic dynamics and nuclear reorganization along excited-state trajectories. Here, we …

Eliminating finite-size effects on the calculation of x-ray scattering from molecular dynamics simulations

AO Dohn, V Markmann, A Nimmrich… - The Journal of …, 2023 - pubs.aip.org
Structural studies using x-ray scattering methods for investigating molecules in solution are
shifting focus toward describing the role and effects of the surrounding solvent. However …

Serial X-ray liquidography: multi-dimensional assay framework for exploring biomolecular structural dynamics with microgram quantities

SO Kim, SR Yun, H Lee, J Jo, DS Ahn, D Kim… - Nature …, 2024 - nature.com
Understanding protein structure and kinetics under physiological conditions is crucial for
elucidating complex biological processes. While time-resolved (TR) techniques have …

Structural dynamics of proteins explored via time-resolved x-ray liquidography

Y Lee, H Lee, H Ihee - Chemical Physics Reviews, 2022 - pubs.aip.org
The structure of a protein is closely related to its biological function. In this regard, structural
changes, as well as static structures, have been scrutinized as essential elements in …

Exploring fingerprints of ultrafast structural dynamics in molecular solutions with an X-ray laser

RP Kurta, TB van Driel, AO Dohn… - Physical Chemistry …, 2023 - pubs.rsc.org
We apply ultrashort X-ray laser pulses to track optically excited structural dynamics of [Ir2
(dimen) 4] 2+ molecules in solution. In our exploratory study we determine angular …

Real-time structural dynamics of the ultrafast solvation process around photo-excited aqueous halides

V Markmann, J Pan, BL Hansen, ML Haubro… - Chemical …, 2024 - pubs.rsc.org
This work investigates and describes the structural dynamics taking place following charge-
transfer-to-solvent photo-abstraction of electrons from I− and Br− ions in aqueous solution …