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From Specific γ-CD/[Nb6Cl12(H2O)6]2+ Recognition to Biological Activity Tuning |
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| Authors: | Dr Anton A Ivanov Tatiana N Pozmogova Dr Anastasiya O Solovieva Dr Tatiana S Frolova Dr Olga I Sinitsyna Dr Olga V Lundovskaya Dr Alphiya R Tsygankova Dr Mohamed Haouas Prof David Landy Prof Enrico Benassi Prof Lidiya V Shestopalova Dr Clément Falaise Prof Emmanuel Cadot Dr Michael A Shestopalov Dr Pavel A Abramov Prof Maxim N Sokolov |
| Institution: | 1. Nikolaev Institute of Inorganic Chemistry SB RAS, 3 acad. Lavrentiev ave., 630090 Novosibirsk, Russia;2. Novosibirsk State University, 2 Pirogova st., 630090 Novosibirsk, Russia
Research Institute of Clinical and Experimental Lymphology, Branch of the ICG SB RAS, 2 Timakova st., 630117 Novosibirsk, Russia;3. Research Institute of Clinical and Experimental Lymphology, Branch of the ICG SB RAS, 2 Timakova st., 630117 Novosibirsk, Russia Federal Research Center of Fundamental and Translational Medicine, 2 Timakova st., 630117 Novosibirsk, Russia;4. Novosibirsk State University, 2 Pirogova st., 630090 Novosibirsk, Russia Federal Research Center of Fundamental and Translational Medicine, 2 Timakova st., 630117 Novosibirsk, Russia Federal Research Center Institute of Cytology and Genetics SB RAS, 10 acad. Lavrentiev ave., 630090 Novosibirsk, Russia;5. Novosibirsk State University, 2 Pirogova st., 630090 Novosibirsk, Russia Federal Research Center Institute of Cytology and Genetics SB RAS, 10 acad. Lavrentiev ave., 630090 Novosibirsk, Russia;6. Nikolaev Institute of Inorganic Chemistry SB RAS, 3 acad. Lavrentiev ave., 630090 Novosibirsk, Russia Novosibirsk State University, 2 Pirogova st., 630090 Novosibirsk, Russia;7. Institut Lavoisier de Versailles, CNRS, UVSQ, Université Paris-Saclay, 45 avenue des Etats-Unis, 78035 Versailles, France;8. Unité de Chimie Environnementale et Interactions sur le Vivant, (UCEIV, EA 4492), ULCO, 145, Avenue Maurice Schumann, MREI 1, 59140 Dunkerque, France;9. Novosibirsk State University, 2 Pirogova st., 630090 Novosibirsk, Russia |
| 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. |
| Keywords: | cluster compounds cytotoxicity gamma-cyclodextrin genotoxicity niobium |