КВАНТОВО-ХІМІЧНІ РОЗРАХУНКИ АНТИОКСИДАНТНИХ МЕХАНІЗМІВ 2.3-ДИГІДРОКСИ-6-МЕТИЛ-(4Н)-ПІРАН-4-ОНУ – МЕТАБОЛІТУ БАКТЕРІЙ РОДУ BACILLUS
Ключові слова:
quantum chemical calculations, 3-dihydro-3,5-dihydroxy-6-methyl-(4H)-pyran-4-one antioxidant and antiradical propertiesАнотація
Quantum chemical analysis of the antioxidant and antiradical properties was performed for the optimized structures of the 2,3-dihydro-3,5-dihydroxy-6-methyl-(4H)-pyran-4-one (DDMP). The determined indicators of the course of antioxidant mechanisms showed that the dominant mechanisms for DDMP are SET (Single electron transfer) and SET-PT (Single-Electron Transfer followed by Proton Transfer, SET-PT), and DDMP is a member of the group of medium-strength antioxidants.
Посилання
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