Scavening Potency of Anion of Gallic Acid with Different Radicals
Antioksidativni potencijal anjona galne kiseline u reakciji sa različitim radikalima
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Author
Jeremic, S
Markovic, Z
Milenkovic, D
Djorovic, J
Jovanovic, G
Keywords
gallic acidanion
DFT
radicals
mechanisms
galna kiselina
anjoni
radikali
mehanizmi
Metadata
Show full item recordAbstract
In this paper antioxidative mechanisms HAT, SPLET and SET-PT of the
carboxylate anion of gallic acid (GA¯) with different radicals (OO−, OH, and CH3OO)
were investigated. For this reason were examined ΔHBDE, ΔHIP and ΔHPA values of the
corresponding reactions in water and pentyl ethanoate as solvents. For this purpose the
M052X/6-311++G(d,p) theoretical models was applied.
It was found that SET-PT is not favorable reaction path for all anions of GA (GA¯) in
both solvents. On the other hand, HAT and SPLET mechanisms are competitive in all
cases. Which of mentioned reaction path is predominant depends on the properties of
anions, radicals and solvents. U ovom radu su ispitani HAT, SPLET i SET-PT mehanizmi antioksidativnog
delovanja karboksilatnog anjona galne kiseline (GA¯) sa različitim radikalima (OO−,
OH i CH3OO). U tom cilju ispitane su ΔHBDE, ΔHIP i ΔHPA vrednosti odgovarajućih
reakcija u vodi i pentiletanoatu kao rastvaračima. Za to je korišćen M052X/6-
311++G(d,p) teorijski model.
Nađeno je da SET-PT mehanizam nije povoljan reakcioni put niti za jedan anjon
galne kiseline (GA¯) u oba rastvarača. S druge strane, HAT i SPLET mehanizmi su
konkurentni u svim slučajevima. Koji od reakcionih puteva je predominantan zavisi od
osobina anjona, radikala i rastvarača.