A Theoretical Study on the Antioxidant Property of Gallic Acid and Its Derivatives

Abstract

We analyze the antioxidant property of four phenolic compounds i.e., gallic acid, methyl gallate, ethyl gallate, and 4, 5-dihydroxy 3-methoxy benzoic acid through the determination of bond dissociation enthalpy (BDE), vertical ionization potential ( IP v) in gas phase as well as in six different solvent medium. The theoretical trends of these phenolic compounds, based on BDE and IP, is compared with the scavenging activity towards HOCl . In addition, we compute and analyze the values of the density-based reactivity descriptors such as chemical potential, hardness, electrophilicity, and local softness.

Antioxidant activity and concentration of secondary metabolites in the plant parts of Euphorbia cyparissias L.

“…For these secondary metabolites in a number of studies, significant antioxidant activity has been demonstrated (PEKKARINEN et al, 1999;MERKL et al, 2010;KALITA et al, 2012). These facts indicate that the secondary metabolites from the group of phenolic compounds, constitute the main components that contribute to the antioxidant activity of E. cyparissias extracts.…”

Gallic Acid Derivatives (GADs) from Loranthus micranthus Linn. Parasitic on Hevea brasiliensis with Antioxidative Capacity

“…Gallic acid derivatives (GADs) are naturally occurring polyphenols that act as antioxidants by efficiently scavenging free radicals. 4 The antioxidant properties of these natural polyphenols are assumed to occur by hydrogen atom transfer and single-electron transfer mechanisms. 4 Loranthus micranthus Linn is a hemi parasitic plant growing on different host trees and shrubs but depends on their host plant for water and mineral nutrition, despite the fact that they produce their own carbohydrates through photosynthesis.…”

“…4 The antioxidant properties of these natural polyphenols are assumed to occur by hydrogen atom transfer and single-electron transfer mechanisms. 4 Loranthus micranthus Linn is a hemi parasitic plant growing on different host trees and shrubs but depends on their host plant for water and mineral nutrition, despite the fact that they produce their own carbohydrates through photosynthesis. 5 The isolation of polyphenols from L. micranthus parasitic on Hevea brasilensis and Kola acuminate with antioxidative potentials has been reported.…”

Antioxidant activity of some phenolic aldehydes and their diimine derivatives: A DFT study

“…Again, Javan et al investigated computationally the H-atom vs electron transfer mechanism for antioxidant activity of some bromophenols and compared their observation to those for which the antioxidant activity was previously evaluated [10]. Analysis of antioxidant activity of various gallic acid derivatives as well as the values of some density-based reactivity descriptors was carried out by Kar et al and they found that phenolic compounds are more stable in gas phase than in solvent medium [11]. The antioxidant radical scavenging capacity of pyranoanthocyanins was investigated by Russo et al [12].…”