ISIS Neutron and Muon Source Data Journal

Deconvolving solvent-solvent and drug-solvent diffusion in supramolecular gels

Abstract: We investigate drug diffusion in supramolecular gels on the molecular level to tailor bespoke drug delivery platforms. We propose to use polarised neutrons on LET to measure the quasi-elastic scattering associated with the diffusive motions of solvent and drug molecules in a prototypical gel. By selective deuteration, individual solvent fractions of the mixed solvent as well as the drug molecule can be distinguished. The data will be analysed (1) by standard models for diffusion in molecular liquids employing simultaneous fits of all momentum transfers, (2) by a fitting approach in terms of susceptibility [A. Arbe et al., Phys Rev Research. 2020], (3) by fully atomistic MD simulations. The result will be a complete picture of the influence of gel fibre surface area on the diffusion of the individual fractions of the solvent, and how this changes in the presence of a solute molecule.

Principal Investigator: Dr Katharina Edkins
Local Contact: Dr Gøran Nilsen
Experimenter: Dr Robert Edkins
Experimenter: Dr Tilo Seydel
Experimenter: Mr Riccardo Morbidini

DOI: 10.5286/ISIS.E.RB2210240

ISIS Experiment Number: RB2210240

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 Katharina Edkins et al; (2022): Deconvolving solvent-solvent and drug-solvent diffusion in supramolecular gels, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2210240

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