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Updated: Jan 25, 2026

Neutron Crystallography Data Collection and Processing for Modelling Hydrogen Atoms in Protein Structures
Published on: December 1, 2020
Non-destructive quantitation of hydrogen via mass-resolved neutron spectroscopy
Maciej Krzystyniak1, Giovanni Romanelli, Felix Fernandez-Alonso
1ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire OX11 0QX, UK. matthew.krzystyniak@stfc.ac.uk.
Abstract:
This work introduces the use of mass-selective neutron spectroscopy as an analytical tool for the quantitative and non-destructive detection of hydrogen in bulk media. To this end, systematic measurements have been performed on a series of polyethylene standards of known thickness and density, in order to establish optimal data-acquisition protocols as well as associated limits of detection and quantitation. From this analysis, we conclude that state-of-the-art epithermal-neutron instrumentation enables the detection of aeral molar densities of bulk hydrogen in the μmol cm-2 range. We also discuss potential improvements on the horizon, with a view to broadening the scope of the technique across chemistry, materials science, and engineering.
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