Zinc lysinate and methionate: synthesis and IR spectrum calculation using the density functional theory method
https://doi.org/10.34680/2076-8052.2025.3(141).495-505
Abstract
Of scientific interest are the physicochemical characteristics of zinc complexes, which are essential for maintaining biological activity and have a great potential for use in medicine and biotechnology due to their unique properties. Using the Hartree–Fock method and DFT/B3LYP/6-31G(p,d) with solvent polarization accounted for via the polarizable continuum model, the structures of zinc (II) lysinate and methionate were modeled. The calculated infrared spectra were compared with experimental data to refine the geometries, and structural models of the compounds were proposed. Data on the coordination of Zn (II) with amino acids are important for the study of little-explored complexes. The results are applicable to the development of antimicrobial and antitumor drugs.
About the Authors
D. V. Bespalov
Dostoevsky Omsk State University
Russian Federation
Russian Federation
Omsk
O. A. Golovanova
Dostoevsky Omsk State University
Russian Federation
Russian Federation
Omsk
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Review
For citations:
Bespalov D.V., Golovanova O.A. Zinc lysinate and methionate: synthesis and IR spectrum calculation using the density functional theory method. Vestnik of Novgorod State University. 2025;(3(141)):495-505. (In Russ.) https://doi.org/10.34680/2076-8052.2025.3(141).495-505
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