Open AccessA Theoretical Study on the Antioxidant Activity of Piceatannol and Isorhapontigenin Scavenging Nitric Oxide and Nitrogen Dioxide Radicals
Author(s) -
Lu Yang,
Aihua Wang,
Pengjun Shi,
Hui Zhang
Publication year - 2017
Publication title -
plos one
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.99
H-Index - 332
ISSN - 1932-6203
DOI - 10.1371/journal.pone.0169773
Subject(s) - scavenging , chemistry , radical , antioxidant , nitric oxide , reactivity (psychology) , electron transfer , photochemistry , adduct , hydrogen atom , piceatannol , organic chemistry , biochemistry , medicine , alkyl , alternative medicine , pathology , resveratrol
The antioxidant activity of naturally occurring stilbene compounds piceatannol (PIC) and isorhapontigenin (ISO) scavenging two free radicals (NO and NO 2 ) were studied using density functional theory (DFT) method. Four reaction mechanisms have been considered: hydrogen atom transfer (HAT), radical adduct formation (RAF), single electron transfer (SET), and sequential proton loss electron transfer (SPLET). The reaction channels in water solution were traced independently, and the respective thermodynamic and kinetic parameters were obtained. We found PIC and ISO scavenge NO mainly through RAF mechanism, and scavenge NO 2 through HAT mechanism. The capacity of PIC scavenging NO 2 is much higher than ISO, but the reactivity of scavenging NO is lower than ISO.