Scientific journal
Balanced diet, nutritional supplements and biostimulants
ISSN 2414-1054
ISSN 2414-1054
QUANTIUM-AND-CHEMICAL MODELING OF CALCIUM AMINOACYL COMPLEXES AND EVALUATION OF THEIR USE POSSIBILITY TO COMPENSATE FOR CALCIUM DEFICIT
Nakoskin A.N. 1
Vorontsov B.S. 2
Luneva S.N. 1
Vaganova L.A. 1
1 Federal State-Financed Institution The Russian Ilizarov Scientific Center «Restorative Traumatology and Orthopaedics» of the RF Ministry of Healthcare and Social Development
2 Federal State-Financed Educational Institution of Higher Professional Education
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Quantium-and-chemical modeling of calcium aminoacyl complexes has been made. Square planar structure of the compounds studied has been proved. Thermodynamic functions have been calculated for calcium compounds with glycine, alanine, lysine, leucine, arginine using applied package programs of quantum chemistry. Comparative characteristics of Ca2+ aminoacyl complexes have been determined by the data of RM-3 semiempirical calculation. The geometry of the complexes has been calculated by comparing with the analogous complexes of d-elements. The analysis of the data obtained shows calcium binding (ionic practically) character of the same type in these complexes. The amino-acid complexes studied have been revealed to have no chelate structure. The possibility of using complex calcium glycinate compound as a preparation for calcium deficit compensation under antiorthostatic hypokinesia has been studied experimentally in mice. Comparative assessment of the effectiveness of using calcium chloride and glycinate has demonstrated higher bioavailability of the latter under equal conditions.