Back‐exchange of deuterium in neutron crystallography: characterization by IR spectroscopy

The application of IR spectroscopy to the characterization and quality control of samples used in neutron crystallography is described. While neutron crystallography is a growing field, the limited availability of neutron beamtime means that there may be a delay between crystallogenesis and data col...

Full description

Saved in:
Bibliographic Details
Published in:Journal of applied crystallography 2017-04, Vol.50 (2), p.660-664
Main Authors: Yee, Ai Woon, Blakeley, Matthew P., Moulin, Martine, Haertlein, Michael, Mitchell, Edward, Forsyth, V. Trevor
Format: Article
Language:English
Subjects:
Chemical Sciences
Crystal growth
Crystallography
Crystals
D2O/H2O back‐exchange
Delay
deuteration
Deuterium
Infrared spectroscopy
IR spectroscopy
Laboratory Notes
Life Sciences
neutron crystallography
Neutron scattering
Neutrons
Reservoirs
Spectrum analysis
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The application of IR spectroscopy to the characterization and quality control of samples used in neutron crystallography is described. While neutron crystallography is a growing field, the limited availability of neutron beamtime means that there may be a delay between crystallogenesis and data collection. Since essentially all neutron crystallographic work is carried out using D2O‐based solvent buffers, a particular concern for these experiments is the possibility of H2O back‐exchange across reservoir or capillary sealants. This may limit the quality of neutron scattering length density maps and of the associated analysis. Given the expense of central facility beamtime and the effort that goes into the production of suitably sized (usually perdeuterated) crystals, a systematic method of exploiting IR spectroscopy for the analysis of back‐exchange phenomena in the reservoirs used for crystal growth is valuable. Examples are given in which the characterization of D2O/H2O back‐exchange in transthyretin crystals is described. The application of IR spectroscopy to the analysis of D2O/H2O back‐exchange in samples used for neutron crystallography is described.
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S1600576717003624