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A pharmaceutically and biologically relevant molecule, pyridoxine hydrochloride (vitamin B6), was encapsulated inside the cavity of a molecular container, cucurbit[7]uril (CB[7]), in aqueous solution. The CB[7] based “nanocapsule” of vitamin B6 has been investigated for the first time, via 1H NMR and UV-visible spectroscopic titrations (including Job’s plot) and ab initio molecular modeling. The results have demonstrated that vitamin B6 forms stable host-guest complexes within CB[7] in 1 : 1 stoichiometry, with a binding affinity of (4.0±0.5)×103 M−1. Such a nanocapsule could potentially find application in vitamin B6 formulation for the purpose of enhancing the stability, absorption, and delivery of this important vitamin.

Supramolecular Encapsulation of Vitamin B6 by Macrocyclic Nanocontainer Cucurbit[7]uril