Host-Guest Interactions of Cucurbit[7]uril with Nabumetone and Naproxen: Spectroscopic, Calorimetric, and DFT Studies in Aqueous Solution.

ABSTRACT: The complexation of nabumetone (NAB) and naproxen (NAP) with cucurbit[7]uril (CB7) was investigated in aqueous solution by isothermal titration microcalorimetry, mass spectrometry, NMR spectroscopy, and computation methods. High-resolution mass spectrometry was used for the determination of the binding stoichiometry and the gas-phase stability of the drug-CB7 complex. The doubly charged NH₄⁺ or Na⁺ adducts of the 1:1 complex were observed in the mass spectra. The dissociation of complexes was monitored at different collision energies, (1-16) eV, leading to the neutral loss of NH₃ and the drug, with charge retention observed on CB7. By performing ITC experiments, all the thermodynamic parameters were determined for the NAB-CB7 complex in water at

SUBMITTER: Klaric D 

PROVIDER: S-EPMC12195925 | biostudies-literature | 2025 Jun

REPOSITORIES: biostudies-literature