Three hesperetin Schiff bases N-[2, 3-dihydro-5, 7-dihydroxy-2-(3-hydroxy-4-
methoxyphenyl) chromen-4-ylidene] thiosemicarbazide (HTSC), N-[2, 3-dihydro-5, 7 …

The antioxidative capacity and structure–activity relationships of ten Schiff bases were
investigated experimentally and theoretically. All compounds contain the aniline moiety …

The quantum chemical calculations of Nymphaeol C (C 30 H 36 O 6) have been carried out
using the density functional theory method, M06-2X in the 6-311+ G (d, p) basis set. The …

The molecular characteristics of two naturally occurring flavonoid compounds mearnsetin
and myricetin have been computed using density functional theory (DFT) approach with …

The importance of hydrogen atom transfer (HAT) reaction has been realized in various
fields, ranging from atmospheric chemistry to biological processes. HAT is noteworthy in …

The protection exerted by 3, 5-dihydroxy-4-methoxybenzyl alcohol (DHMBA), a phenolic
compound recently isolated from the Pacific oyster, against oxidative stress (OS) is …

As a valuable traditional Chinese herbal medicine, Radix Astragali has attracted much
attention due to its extensive pharmacological activities. In this study, density functional …

Flavonoids provide potential health benefits due to their antioxidant properties. The
antioxidant activity of natural flavonoids is primarily exerted by phenolic hydroxyl groups; …

Gas-phase reaction enthalpies related to the individual steps of three phenolic antioxidants
action mechanisms–hydrogen atom transfer (HAT), single-electron transfer–proton transfer …

Theoretical calculations have been performed to predict antioxidant property for two
interesting classes of compounds including phenolic acids and vitamins. Important …