ISIS Neutron and Muon Source Data Journal
This is a page describing data taken during an experiment at the ISIS Neutron and Muon Source. Information about the ISIS Neutron and Muon Source can be found at https://www.isis.stfc.ac.uk.
Effect of guanidine hydrochloride on the structure of water-dimethylformamide (DMF) solvent mixtures
Abstract: Some binary liquid mixtures display microheterogeneity (MH), where molecular clustering of each component is observed on the microscale, but on the macroscale the components are fully miscible. This is suggested to be the reason behind certain mixture characteristics, such as non-ideal thermodynamic quantities and water activity. Binary solvent mixtures are also commonly used in crystallisation, as they can provide different crystallisation outcomes than the pure solvents. Our overarching project aims to investigate how the structure of binary solvent mixtures influences the outcome of solute recrystallisation. The groups prior work using MH water-acetonitrile mixtures has shown that solute-solute and solute-solvent interactions change with the occurrence of solvent clustering. In a previous experiment on NIMROD, we have investigated the structure of water-DMF mixtures at 15, 35, and 50 mole% DMF, where we saw a self-association of the individual species. We propose to investigate these solvent mixtures with guanidine hydrochloride dissolved at 10 mole% to gauge how the presence of a solute alters the structure of the solvent. 7 isotopic substitutions will be used to differentiate between water, DMF, and guanidine hydrochloride hydrogen atoms, totalling to 21 samples. Assuming 4 hours per sample and 2 hours per standard and empty, we request 5 days of beamtime on NIMROD.
Principal Investigator: Dr Katharina Edkins
Experimenter: Miss Abbie Madden
Experimenter: Dr Tom Headen
Local Contact: Dr Terri-Louise Hughes
Experimenter: Dr Benjamin Vella
DOI: 10.5286/ISIS.E.RB2610578
ISIS Experiment Number: RB2610578
| Part DOI | Instrument | Public release date | Download Link |
|---|---|---|---|
| 10.5286/ISIS.E.RB2610578-1 | SANDALS | 10 March 2029 | Download |
Publisher: STFC ISIS Neutron and Muon Source
Data format: RAW/Nexus
Select the data format above to find
out more about it.
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; (2026): Effect of guanidine hydrochloride on the structure of water-dimethylformamide (DMF) solvent mixtures, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610578
Data is released under the CC-BY-4.0 license.
