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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

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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
Subjects: Q Science > QD Chemistry
Q Science > QP Physiology
T Technology > TN Mining engineering. Metallurgy
Divisions: Faculty of Science, Engineering and Medicine > Science > Chemistry
Faculty of Science, Engineering and Medicine > Science > Physics
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:
DateEvent
3 February 2020Published
30 December 2019Available
30 December 2019Accepted
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:
Project/Grant IDRIOXX Funder NameFunder ID
UNSPECIFIEDGlaxoSmithKlinehttp://dx.doi.org/10.13039/100004330
International Chancellor’s scholarshipUniversity of Warwickhttp://dx.doi.org/10.13039/501100000741
UNSPECIFIED[EPSRC] Engineering and Physical Sciences Research Councilhttp://dx.doi.org/10.13039/501100000266
UNSPECIFIED[BBSRC] Biotechnology and Biological Sciences Research Councilhttp://dx.doi.org/10.13039/501100000268
UNSPECIFIEDAdvantage West Midlandshttp://dx.doi.org/10.13039/100014381
UNSPECIFIEDEuropean Regional Development Fundhttp://dx.doi.org/10.13039/501100008530
639907 European Research Councilhttp://dx.doi.org/10.13039/501100000781
BB/R010218/1[BBSRC] Biotechnology and Biological Sciences Research Councilhttp://dx.doi.org/10.13039/501100000268
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