Pathology

Organic chemistry

Piroxicam

Intermolecular interaction

Nuclear magnetic resonance spectroscopy

Chemical shift

Computational chemistry

Physical chemistry

Intermolecular force

Eutectic system

Aqueous solution

Chemistry

Alternative medicine

Cyclodextrin

Oligosaccharide

Deep eutectic solvent

Solvent

Alloy

Molecule

Molecular dynamics

Medicine

Heteronuclear molecule

ACS Sustainable Chemistry & Engineering

The rotational dynamics of the mixture composed of the deep eutectic solvent (DES) reline, and the macrocyclic oligosaccharide β-cyclodextrin (βCD) is investigated at the molecular level by NMR relaxation spectroscopy with and without known amounts of water. The progressive addition of water affects the rotational motion of the DES and βCD in different ways. The findings are consistent with βCD interacting primarily with the added water and reline preserving some degree of residual molecular network. Combining in this way the features of the individual components in the mixture may be highly advantageous for future applications. As a proof-of-concept for the encapsulation capacity of βCD within the DES/βCD/H2O mixture, the formation of an inclusion complex with the nonsteroidal anti-inflammatory drug piroxicam is demonstrated through NMR chemical shifts variation and intermolecular host–guest NOEs in the rotating frame.

Effect of Water on Deep Eutectic Solvent/β-Cyclodextrin Systems