ISIS Neutron and Muon Source Data Journal

Competing inter-molecular interactions in sulfur containing systems: SH vs OH

Abstract: SH groups are the constituents of proteins, amino acids and other biomolecules and their role in solution is central for many biological processes such as protein folding, molecular recognition and protein three-dimensional stability. By contrast with oxygen, sulfur exhibits lower electronegativity and increased polarizability which manifest as different trends of inter-molecular interactions. The ability of sulfur to hydrogen bond has been known for long time but a full understanding of the nature, directionality and strength of these bonding motifs is still lacking. This proposal will investigate the competition among fundamental interactions involving SH groups in solution and will answer fundamental questions about the role of sulfur in hydrogen bonding stability.

Public release date: 29 February 2028

Principal Investigator: Professor Neal Skipper
Experimenter: Dr Camilla Di Mino
Experimenter: Dr Andrew Seel
Experimenter: Dr Adam Clancy
Local Contact: Dr Tom Headen
Experimenter: Dr Caroline Knapp
Experimenter: Dr Andrea Sella

DOI: 10.5286/ISIS.E.RB2220561-4

Parent DOI: 10.5286/ISIS.E.RB2220561

ISIS Experiment Number: RB2220561

Part Number: 4

Date of Experiment: 24 February 2025

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Professor Neal Skipper et al; (2025): Competing inter-molecular interactions in sulfur containing systems: SH vs OH, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2220561-4

Data is released under the CC-BY-4.0 license.