Tóm tắt:

Ochracene I is a representative sesquiterpenoid compound available in natural marine fungus. Hydroxyl radical scavenging activity of Ochracene I (OCHR) has been studied in aqueous phase using density functional theory M06-2X functional in conjunction with 6-31+G(d,p) basis set. Four common antioxidant mechanisms have been screened: hydrogen transfer (HT), radical adduct formation (RAF), proton loss (PL) and single electron transfer (SET).