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

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.

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.

scholarly journals Optical control, selection and analysis of population dynamics in ultrafast protein X-ray crystallography

2019 ◽  
Vol 377 (2145) ◽  
pp. 20170474 ◽  
Author(s):  
Christopher D. M. Hutchison ◽  
Jasper J. van Thor
Keyword(s):  
Structural Dynamics ◽  
Time Domain ◽  
Optical Pumping ◽  
High Repetition Rate ◽  
X Rays ◽  
X Ray Diffraction ◽  
X Ray ◽  
Vibrational Coherence ◽  
X Ray Crystallography ◽  
Ultrafast Optical

Ultrafast pump-probe X-ray crystallography has now been established at X-ray free electron lasers that operate at hard X-ray energies. We discuss the performance and development of current applications in terms of the available data quality and sensitivity to detect and analyse structural dynamics. A discussion of technical capabilities expected at future high repetition rate applications as well as future non-collinear multi-pulse schemes focuses on the possibility to advance the technique to the practical application of the X-ray crystallographic equivalent of an impulse time-domain Raman measurement of vibrational coherence. Furthermore, we present calculations of the magnitude of population differences and distributions prepared with ultrafast optical pumping of single crystals in the typical serial femtosecond crystallography geometry, which are developed for the general uniaxial and biaxial cases. The results present opportunities for polarization resolved anisotropic X-ray diffraction analysis of photochemical populations for the ultrafast time domain. This article is part of the theme issue ‘Measurement of ultrafast electronic and structural dynamics with X-rays’.

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