Please use this identifier to cite or link to this item: https://dspace.ncfu.ru/handle/20.500.12258/26461
Title: Study of the Stabilization of Zinc Silicate Nanoparticles by Biologically Active Heterofunctional Compounds
Authors: Blinova, A. A.
Блинова, А. А.
Maglakelidze, D. G.
Маглакелидзе, Д. Г.
Filippov, D. D.
Филиппов, Д. Д.
Keywords: IR spectroscopy;Zinc silicate;L-valine;Quantum chemical modeling
Issue Date: 2023
Citation: Blinova, A., Maglakelidze, D., Filippov, D., Kanukova, L., Mrikaeva, M. Study of the Stabilization of Zinc Silicate Nanoparticles by Biologically Active Heterofunctional Compounds // AIP Conference Proceedings. - 2023. - 2931 (1). - статья № 060003. - DOI: 10.1063/5.0178837
Series/Report no.: AIP Conference Proceedings
Abstract: The paper presents a study of the process of stabilization of zinc silicate nanoparticles with amino acids. Quantum-chemical modeling of the process of interaction of zinc silicate with amino acids was carried out in the QChem software using the molecular editor – IQmol. As a result of the quantum-chemical modeling, it was found that all compounds of zinc silicate with amino acids are energetically favorable (∆E > 2358 kcal/mol), and have a high index of chemical rigidity in the range from 0.092 to 0.157 eV, which indicates the high stability of the presented compounds. The interaction of zinc silicate with lysine has the highest index of chemical rigidity. The most energetically favorable is the ZnSiO3 – Val interaction (∆E = 2359.913 kcal/mol). The samples were also studied by IR spectroscopy on an FSM-1201 instrument. As a result of the analysis of the obtained data, it was found that the interaction of the amino acid with the zinc silicate surface proceeds through the formation of a Si-O-N chemical bond between ZnSiO3 and the amino group of the amino acid. The obtained data confirm the results of computer-quantum-chemical modeling.
URI: http://hdl.handle.net/20.500.12258/26461
Appears in Collections:Статьи, проиндексированные в SCOPUS, WOS

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