Diamond Publications - Search Results

Search Again...

These results only include publications that have been reviewed and processed by Diamond Light Source. To also view papers that have not yet been processed click here.

You can use the folder icon under Actions to collate papers as required. You can then click on View Folder in the left-hand navigation to review and/or download your folder.

2 items found (0 items not approved), displaying all items.

Instruments / Technical Area	Publication Details	Published	Actions
I19-Small Molecule Single Crystal Diffraction	LED-pump-X-ray-multiprobe crystallography for sub-second timescales Lauren E. Hatcher , Mark R. Warren , Jonathan M. Skelton , Anuradha R. Pallipurath , Lucy K. Saunders , David R. Allan , Paul Hathaway , Giulio Crevatin , David Omar , Ben. H. Williams , Ben A. Coulson , Chick C. Wilson , Paul R. Raithby Communications Chemistry 5 DOI: 10.1038/s42004-022-00716-1 Diamond Proposal Number(s): [17306, 19670] Open Access Show Abstract ▼ Abstract: The visualization of chemical processes that occur in the solid-state is key to the design of new functional materials. One of the challenges in these studies is to monitor the processes across a range of timescales in real-time. Here, we present a pump-multiprobe single-crystal X-ray diffraction (SCXRD) technique for studying photoexcited solid-state species with millisecond-to-minute lifetimes. We excite using pulsed LEDs and synchronise to a gated X-ray detector to collect 3D structures with sub-second time resolution while maximising photo-conversion and minimising beam damage. Our implementation provides complete control of the pump-multiprobe sequencing and can access a range of timescales using the same setup. Using LEDs allows variation of the intensity and pulse width and ensures uniform illumination of the crystal, spreading the energy load in time and space. We demonstrate our method by studying the variable-temperature kinetics of photo-activated linkage isomerism in [Pd(Bu4dien)(NO2)][BPh4] single-crystals. We further show that our method extends to following indicative Bragg reflections with a continuous readout Timepix3 detector chip. Our approach is applicable to a range of physical and biological processes that occur on millisecond and slower timescales, which cannot be studied using existing techniques.	Aug 2022
	DIALS as a toolkit Graeme Winter , James Beilsten-Edmands , Nicholas Devenish , Markus Gerstel , Richard J. Gildea , David Mcdonagh , Elena Pascal , David G. Waterman , Benjamin H. Williams , Gwyndaf Evans Protein Science DOI: 10.1002/pro.4224 Open Access Show Abstract ▼ Abstract: The DIALS software for the processing of X-ray diffraction data is presented, with an emphasis on how the suite may be used as a toolkit for data processing. The description starts with an overview of the history and intent of the toolkit, usage as an automated system, command-line use, and ultimately how new tools can be written using the API to perform bespoke analysis. Consideration is also made to the application of DIALS to techniques outside of macromolecular X-ray crystallography.	Nov 2021

Instruments / Technical Area

Publication Details

Published

Actions

I19-Small Molecule Single Crystal Diffraction

LED-pump-X-ray-multiprobe crystallography for sub-second timescales