Zinc(II) and cadmium(II) halide complexes with caffeine: Synthesis, X-ray crystal structure, cytotoxicity and genotoxicity studies
2018; Elsevier BV; Volume: 487; Linguagem: Inglês
10.1016/j.ica.2018.11.036
ISSN1873-3255
AutoresН.С. Рукк, Л.Г. Кузьмина, Р. С. Шамсиев, Galina A. Davydova, Elena A. Mironova, Artem M. Ermakov, Grigory A. Buzanov, A.Yu. Skryabina, А. Н. Стрелецкий, Г. А. Воробьева, В. М. Ретивов, Pavel A. Volkov, Svetlana K. Belus, Evgeniya I. Kozhukhova, Valeriya N. Krasnoperova,
Tópico(s)Crystallography and molecular interactions
ResumoMolecular complexes [Zn(caf)(H2O)I2] (I), [Zn(caf)(H2O)Cl2] (IV), and the polymeric ones {[Cd(H2O)2I2](caf).2H2O}n (II) and {[Cd(H2O)2Br2](caf).2H2O}n (III) consisting of infinite Cd-containing chains with bridging halide ions and water molecules in trans-position and connected with each other due to hydrogen bonding with participation of caffeine (caf) and water molecules, were prepared and characterized by the powder and single crystal X-ray diffraction, IR vibrational spectroscopy, 1H NMR, ESI-MS spectroscopy, thermal analysis and DFT calculations. It was found that the complexes (I) and (IV) are characterized by tetrahedral geometry, the caffeine molecule being coordinated by the central atom via its N9 atom. The preferability of complex formation was evaluated by quantum-chemical calculations. Cyto- and genotoxicity of the compounds have been investigated and discussed in comparison with that of [Zn(AP)2I2] (1) and [Cd(AP)6][Cd(AP)I3]2 (2). It was demonstrated that the prepared complexes, primarily that of cadmium iodide with caffeine (II), are the promising ones for further studies both in vitro and in vivo.
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