scholarly journals Structural dynamics probed by X-ray pulses from synchrotrons and XFELs

2021 ◽  
Vol 22 (S2) ◽  
pp. 1-20
Author(s):  
Matteo Levantino ◽  
Qingyu Kong ◽  
Marco Cammarata ◽  
Dmitry Khakhulin ◽  
Friedrich Schotte ◽  
...  
Keyword(s):  
Structural Dynamics ◽  
X Ray

Real-Space X-Ray Pair Distribution Function Analysis and Molecular-Dynamics Modelling of Diflunisal Channel Hydrates

2020 ◽  
Author(s):  
Anuradha Pallipurath ◽  
Francesco Civati ◽  
Jonathan Skelton ◽  
Dean Keeble ◽  
Clare Crowley ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Distribution Function ◽  
Structural Dynamics ◽  
First Principles ◽  
Pair Distribution Function ◽  
Function Analysis ◽  
Real Space ◽  
X Ray ◽  
Dynamics Modelling ◽  
Dynamics Simulations

X-ray pair distribution function analysis is used with first-principles molecular dynamics simulations to study the co-operative H<sub>2</sub>O binding, structural dynamics and host-guest interactions in the channel hydrate of diflunisal.

scholarly journals Ultrafast x-ray spectroscopy for structural dynamics studies in chemistry and biology

2007 ◽  
Author(s):  
W. Gawelda ◽  
V. T. Pham ◽  
A. El Nahhas ◽  
S. L. Johnson ◽  
D. Grolimund ◽  
...  
Keyword(s):  
Structural Dynamics ◽  
X Ray

Photodissociation Structural Dynamics of TrirutheniumDodecacarbonyl Investigated by X-ray Transient Absorption Spectroscopy

2013 ◽  
Vol 117 (39) ◽  
pp. 9807-9813 ◽  
Author(s):  
Michael R. Harpham ◽  
Andrew, B. Stickrath ◽  
Xiaoyi, Zhang ◽  
Jier Huang ◽  
Michael W. Mara ◽  
...  
Keyword(s):  
Absorption Spectroscopy ◽  
Structural Dynamics ◽  
Transient Absorption ◽  
Transient Absorption Spectroscopy ◽  
X Ray

scholarly journals Ultrafast x-ray studies of structural dynamics at SLAC

2005 ◽  
Author(s):  
K. J. Gaffney ◽  
A. M. Lindenberg ◽  
J. Larsson ◽  
K. Sokolowski-Tinten ◽  
C. Blome ◽  
...  
Keyword(s):  
Structural Dynamics ◽  
X Ray

scholarly journals Structural Dynamics and Single-Stranded DNA Binding Activity of the Three N-Terminal Domains of the Large Subunit of Replication Protein A from Small Angle X-ray Scattering

Biochemistry ◽  
2010 ◽  
Vol 49 (13) ◽  
pp. 2880-2889 ◽  
Author(s):  
Dalyir I. Pretto ◽  
Susan Tsutakawa ◽  
Chris A. Brosey ◽  
Amalchi Castillo ◽  
Marie-Eve Chagot ◽  
...  
Keyword(s):  
Dna Binding ◽  
Structural Dynamics ◽  
Small Angle ◽  
Large Subunit ◽  
Protein A ◽  
Replication Protein A ◽  
Binding Activity ◽  
X Ray ◽  
Dna Binding Activity ◽  
X Ray Scattering

scholarly journals Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species

2018 ◽  
Vol 20 (10) ◽  
pp. 7243-7253 ◽  
Author(s):  
Jesper Norell ◽  
Raphael M. Jay ◽  
Markus Hantschmann ◽  
Sebastian Eckert ◽  
Meiyuan Guo ◽  
...  
Keyword(s):  
Electronic State ◽  
Structural Dynamics ◽  
Chemical Species ◽  
Inversion Symmetry ◽  
Chemical Dynamics ◽  
Transient Species ◽  
X Ray ◽  
X Ray Scattering ◽  
Electronic Spin ◽  
Ray Scattering

Inversion-symmetry separation of electronic state manifolds in RIXS enables identification of transient species in photo-chemical dynamics.

scholarly journals Structural dynamics of an iron molybdate catalyst under redox cycling conditions studied with in situ multi edge XAS and XRD

2020 ◽  
Vol 22 (20) ◽  
pp. 11713-11723 ◽  
Author(s):  
Abhijeet Gaur ◽  
Matthias Stehle ◽  
Kristian Viegaard Raun ◽  
Joachim Thrane ◽  
Anker Degn Jensen ◽  
...  
Keyword(s):  
Phase Transformations ◽  
Absorption Spectroscopy ◽  
Structural Dynamics ◽  
Redox Cycling ◽  
X Ray Diffraction ◽  
Iron Molybdate ◽  
X Ray ◽  
X Ray Absorption

Combination of in situ multi-edge X-ray absorption spectroscopy at the Mo K- and Fe K-edges in combination with X-ray diffraction successfully uncovered structural dynamics and phase transformations of an iron molybdate catalyst during redox cycling.

scholarly journals Recent Advances in Ultrafast Structural Techniques

2019 ◽  
Vol 9 (7) ◽  
pp. 1427 ◽  
Author(s):  
Germán Sciaini
Keyword(s):  
Structural Dynamics ◽  
Free Electron Laser ◽  
Review Article ◽  
Chemical Processes ◽  
Plasma Sources ◽  
X Ray ◽  
Recent Advances ◽  
Technological Developments ◽  
Computer Simulators ◽  
Electron Pulses

A review that summarizes the most recent technological developments in the field of ultrafast structural dynamics with focus on the use of ultrashort X-ray and electron pulses follows. Atomistic views of chemical processes and phase transformations have long been the exclusive domain of computer simulators. The advent of femtosecond (fs) hard X-ray and fs-electron diffraction techniques made it possible to bring such a level of scrutiny to the experimental area. The following review article provides a summary of the main ultrafast techniques that enabled the generation of atomically resolved movies utilizing ultrashort X-ray and electron pulses. Recent advances are discussed with emphasis on synchrotron-based methods, tabletop fs-X-ray plasma sources, ultrabright fs-electron diffractometers, and timing techniques developed to further improve the temporal resolution and fully exploit the use of intense and ultrashort X-ray free electron laser (XFEL) pulses.

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