ISIS Neutron and Muon Source Data Journal

Hydrogen momentum distribution as a fingerprint of hydrogen-bond restructuring and hydration in high- and low-methoxyl apple pectins in solutions studied on Vesuvio

Abstract: The proposal employs neutron Compton scattering (NCS) and complementary neutron transmission (NT) measurements to investigate molecular-level interactions in pectin water systems, focusing on differences between high-methoxyl (HMP) and low-methoxyl (LMP) pectins. Pectin is a widely used plant-derived polysaccharide whose functional properties depend strongly on its degree of methylation, influencing gelation mechanisms, network formation, and hydration behaviour. Current experimental techniques provide only indirect or averaged information. For instance, NMR relaxometry reflects molecular mobility through averaged relaxation times due to rapid proton exchange, while diffusive wave spectroscopy (DWS) probes viscoelastic properties but offers limited structural resolution. To overcome these limitations, neutron Compton scattering (NCS) will be used to directly probe proton momentum distributions, providing insight into local hydrogen-bonding environments and potential energy surfaces. Complementary NT data, analysed the average functional group approximation (AFGA), will enable interpretation of neutron cross sections in terms of chemically meaningful structural units. By combining these neutron techniques with existing NMR and DWS, the project aims to establish a direct link between atomic-scale interactions, hydration structure, and macroscopic gel-like properties, advancing understanding of structure function relationships in pectin-based systems.

Principal Investigator: Dr Magdalena Witek
Local Contact: Dr Matthew Krzystyniak

DOI: 10.5286/ISIS.E.RB2620031

ISIS Experiment Number: RB2620031

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:
Dr Magdalena Witek et al; (2026): Hydrogen momentum distribution as a fingerprint of hydrogen-bond restructuring and hydration in high- and low-methoxyl apple pectins in solutions studied on Vesuvio , STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2620031

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