Solvent Effects on the Structure and The Antioxidant Activity of Tyrosol, Hydroxytyrosol and Hydroxytyrosol Acetate

Abstract

Hydroxytyrosol [(3,4-dihydroxyphenyl)ethanol] is one of the major natural phenolic compounds present in olive fruits, virgin olive oil, table olives, and waste streams generated during olive processing [1]. This compound has shown antimicrobial, hypoglycemic, hypolipidemic, antioxidant, and hypocholesterol properties of particular interest with regard to food and human health [2].

The molecular structure and radical scavenging activity of Hydroxytyrosol have been explored by using density functional theory (DFT). The homolytic O–H bond dissociation enthalpy (BDE), the ionization potential (IP), the heterolytic O–H bond dissociation enthalpy proton dissociation enthalpy (PDE), proton affinity (PA) and electron transfer enthalpy (ETE), were determined in gas phase, water and pentylethanoate the hydrogen atom transfer (HAT) appears as a major mechanism in antioxidant action.