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Revealing intermolecular hydrogen bonding structure and dynamics in a deep eutectic pharmaceutical by magic-angle spinning NMR spectroscopy
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Mann, Sarah K., Pham, Tran N., McQueen, Lisa L., Lewandowski, Józef R. and Brown, Steven P. (2020) Revealing intermolecular hydrogen bonding structure and dynamics in a deep eutectic pharmaceutical by magic-angle spinning NMR spectroscopy. Molecular Pharmaceutics, 17 (2). pp. 622-631. doi:10.1021/acs.molpharmaceut.9b01075 ISSN 1543-8384.
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Official URL: https://doi.org/10.1021/acs.molpharmaceut.9b01075
Abstract
Liquid forms of pharmaceuticals (ionic liquids and deep eutectic solvents) offer a number of potential advantages over solid-state drugs; a key question is the role of intermolecular hydrogen bonding interactions in enabling membrane transport. Characterisation is challenging since high sample viscosities, typical of liquid pharmaceutical formulations, hamper the use of conventional solution NMR at ambient temperature. Here, we report the application of magic-angle spinning (MAS) NMR spectroscopy to the deep eutectic pharmaceutical, lidocaine ibuprofen. Using variable temperature MAS NMR, the neat system, at a fixed molar ratio, can be studied over a wide range of temperatures, characterized by changing mobility, using a single experimental setup. Specific intermolecular hydrogen bonding interactions are identified by two-dimensional 1H-1H NOESY and ROESY MAS NMR experiments. Hydrogen-bonding dynamics are quantitatively determined by following the chemical exchange process between the labile protons by means of line-width analysis of variable temperature 1H MAS NMR spectra.
| Item Type: | Journal Article | |||||||||||||||||||||||||||
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| Subjects: | Q Science > QD Chemistry Q Science > QP Physiology T Technology > TN Mining engineering. Metallurgy |
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| Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Physics |
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| Library of Congress Subject Headings (LCSH): | Nuclear magnetic resonance spectroscopy, Eutectics , Ionic solutions, Hydrogen bonding | |||||||||||||||||||||||||||
| Journal or Publication Title: | Molecular Pharmaceutics | |||||||||||||||||||||||||||
| Publisher: | American Chemical Society | |||||||||||||||||||||||||||
| ISSN: | 1543-8384 | |||||||||||||||||||||||||||
| Official Date: | 3 February 2020 | |||||||||||||||||||||||||||
| Dates: |
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| Volume: | 17 | |||||||||||||||||||||||||||
| Number: | 2 | |||||||||||||||||||||||||||
| Page Range: | pp. 622-631 | |||||||||||||||||||||||||||
| DOI: | 10.1021/acs.molpharmaceut.9b01075 | |||||||||||||||||||||||||||
| Status: | Peer Reviewed | |||||||||||||||||||||||||||
| Publication Status: | Published | |||||||||||||||||||||||||||
| Access rights to Published version: | Restricted or Subscription Access | |||||||||||||||||||||||||||
| Date of first compliant deposit: | 9 January 2020 | |||||||||||||||||||||||||||
| RIOXX Funder/Project Grant: |
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