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- Title
From Specific γ‐CD/[Nb<sub>6</sub>Cl<sub>12</sub>(H<sub>2</sub>O)<sub>6</sub>]<sup>2+</sup> Recognition to Biological Activity Tuning.
- Authors
Ivanov, Anton A.; Pozmogova, Tatiana N.; Solovieva, Anastasiya O.; Frolova, Tatiana S.; Sinitsyna, Olga I.; Lundovskaya, Olga V.; Tsygankova, Alphiya R.; Haouas, Mohamed; Landy, David; Benassi, Enrico; Shestopalova, Lidiya V.; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.; Abramov, Pavel A.; Sokolov, Maxim N.
- Abstract
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.
- Subjects
ISOTHERMAL titration calorimetry; AQUEOUS solutions; NUCLEAR magnetic resonance spectroscopy; MOLECULAR association; LEAD titanate; WATER
- Publication
Chemistry - A European Journal, 2020, Vol 26, Issue 33, p7479
- ISSN
0947-6539
- Publication type
Article
- DOI
10.1002/chem.202000739