Specific molecular recognition of γ-cyclodextrin (γ-CD) by the cationic hexanuclear niobium [Nb6Cl12(H2O)6]2+ cluster complex in aqueous solutions results in a 1:1 supramolecular assembly {[Nb6Cl12(H2O)6]@γ-CD}2+. NMR spectroscopy, isothermal titration calorimetry (ITC), and ESI-MS were used to study the interaction between the inorganic cluster and the organic macrocycle. Such molecular association affects the biological activity of [Nb6Cl12(H2O)6]2+, decreasing its cytotoxicity despite enhanced cellular uptake. The 1:1 stoichiometry is maintained in solution over a large window of the reagents’ ratio, but crystallization by slow evaporation produces a 1:2 host–guest complex [Nb6Cl12(H2O)6@(γ-CD)2]Cl2⋅20 H2O featuring the cluster encapsulated between two molecules of γ-CD. The 1:2 complex was characterized by XRD, elemental analysis, IR spectroscopy, and thermogravimetric analysis (TGA). Quantum chemical calculations were performed to model host–guest interaction.

Язык оригиналаанглийский
Страницы (с-по)7479-7485
Число страниц7
ЖурналChemistry - A European Journal
Номер выпуска33
СостояниеОпубликовано - 10 июн. 2020


Подробные сведения о темах исследования «From Specific γ-CD/[Nb6Cl12(H2O)6]2+ Recognition to Biological Activity Tuning». Вместе они формируют уникальный семантический отпечаток (fingerprint).