ISIS Neutron and Muon Source Data Journal

Copy of: Interactions between Diatrizoic acid and water in pre-nucleation clusters

Abstract: The formation of water containing crystal forms, so-called hydrates, is a real problem for the pharmaceutical industry. Hydrates show thermodynamically the lowest solubility in water and thus in bodily fluids, and can thus jeopardise the efficiency and safety of a medicine. We are investigating the aggregation of drug molecules with water in solution before crystallisation in order to evaluate the hypothesis that the more stable the resulting hydrate, the stronger the interaction in solution has to be. This work is mainly carried out by lab-based solid-state analytical methods and solution spectroscopy (FTIR and NMR). However, in order to validate our results we now propose to measure neutron total scattering of these solutions to obtain structural information. The chosen model compound is diatrizoic acid, which forms a very stable dihydrate from DMSO water mixtures.

Principal Investigator: Dr Katharina Edkins
Experimenter: Dr Sam Callear [Deactivated]
Local Contact: Dr Silvia Imberti
Experimenter: Dr Robert Edkins

DOI: 10.5286/ISIS.E.RB1700032

ISIS Experiment Number: RB1700032

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; (2017): Copy of: Interactions between Diatrizoic acid and water in pre-nucleation clusters, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1700032

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