2026-10-12T19:06:53Z https://api.figshare.com/v2/oai

oai:figshare.com:article/33798622 2026-09-15T14:14:27Z portal_1197 item_type_3 month_year_09_2026

Data for Revealing intermolecular hydrogen bonding structure and dynamics in a deep eutectic pharmaceutical by magic-angle spinning NMR spectroscopy Sarah K. Mann (1629100) Tran N. Pham (1985929) Lisa L. McQueen (8291739) Józef R. Lewandowski (2302930) Steven P. Brown (1296819) Nuclear magnetic resonance spectroscopy Eutectics Ionic solutions Hydrogen bonding Migrated from ePrints 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.<br><br>Raw data files from the MAS NMR measurements relating to Figures in the corresponding publication. 2020-01-17T00:00:00Z Dataset Dataset 10.82444/warw.33798622.v1 https://figshare.com/articles/dataset/Data_for_Revealing_intermolecular_hydrogen_bonding_structure_and_dynamics_in_a_deep_eutectic_pharmaceutical_by_magic-angle_spinning_NMR_spectroscopy/33798622 CC BY 4.0