Zinc(II) and cadmium(II) halide complexes with caffeine: Synthesis, X-ray crystal structure, cytotoxicity and genotoxicity studies
Nataliya S. Rukk
1
,
Ravshan S Shamsiev
1
,
Elena A Mironova
3
,
Artem M. Ermakov
3
,
Alena Yu Skryabina
1
,
Andrej N Streletskii
4
,
Galina A Vorobeva
4
,
Pavel A. Volkov
5
,
Svetlana K Belus
5
,
Evgeniya I Kozhukhova
5
,
Valeriya N Krasnoperova
1
,
Publication type: Journal Article
Publication date: 2019-03-01
scimago Q3
wos Q2
SJR: 0.393
CiteScore: 5.5
Impact factor: 3.2
ISSN: 00201693, 18733255
Materials Chemistry
Inorganic Chemistry
Physical and Theoretical Chemistry
Abstract
Abstract Molecular 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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Rukk N. S. et al. Zinc(II) and cadmium(II) halide complexes with caffeine: Synthesis, X-ray crystal structure, cytotoxicity and genotoxicity studies // Inorganica Chimica Acta. 2019. Vol. 487. pp. 184-200.
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Rukk N. S., Kuz'mina L. G., Shamsiev R. S., Mironova E. A., Ermakov A. M., Buzanov G. A., Skryabina A. Yu., Streletskii A. N., Vorobeva G. A., Volkov P. A., Belus S. K., Kozhukhova E. I., Krasnoperova V. N., Davydova G. A., Retivov V. M. Zinc(II) and cadmium(II) halide complexes with caffeine: Synthesis, X-ray crystal structure, cytotoxicity and genotoxicity studies // Inorganica Chimica Acta. 2019. Vol. 487. pp. 184-200.
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TY - JOUR
DO - 10.1016/j.ica.2018.11.036
UR - https://doi.org/10.1016/j.ica.2018.11.036
TI - Zinc(II) and cadmium(II) halide complexes with caffeine: Synthesis, X-ray crystal structure, cytotoxicity and genotoxicity studies
T2 - Inorganica Chimica Acta
AU - Rukk, Nataliya S.
AU - Kuz'mina, Lyudmila G.
AU - Shamsiev, Ravshan S
AU - Mironova, Elena A
AU - Ermakov, Artem M.
AU - Buzanov, Grigory A
AU - Skryabina, Alena Yu
AU - Streletskii, Andrej N
AU - Vorobeva, Galina A
AU - Volkov, Pavel A.
AU - Belus, Svetlana K
AU - Kozhukhova, Evgeniya I
AU - Krasnoperova, Valeriya N
AU - Davydova, Galina A
AU - Retivov, V M
PY - 2019
DA - 2019/03/01
PB - Elsevier
SP - 184-200
VL - 487
SN - 0020-1693
SN - 1873-3255
ER -
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@article{2019_Rukk,
author = {Nataliya S. Rukk and Lyudmila G. Kuz'mina and Ravshan S Shamsiev and Elena A Mironova and Artem M. Ermakov and Grigory A Buzanov and Alena Yu Skryabina and Andrej N Streletskii and Galina A Vorobeva and Pavel A. Volkov and Svetlana K Belus and Evgeniya I Kozhukhova and Valeriya N Krasnoperova and Galina A Davydova and V M Retivov},
title = {Zinc(II) and cadmium(II) halide complexes with caffeine: Synthesis, X-ray crystal structure, cytotoxicity and genotoxicity studies},
journal = {Inorganica Chimica Acta},
year = {2019},
volume = {487},
publisher = {Elsevier},
month = {mar},
url = {https://doi.org/10.1016/j.ica.2018.11.036},
pages = {184--200},
doi = {10.1016/j.ica.2018.11.036}
}