In this study, the chemical constituents of the aerial parts of Archidendron bauchei (Jack) I.
Niels have been investigated for the first time. Ten antioxidant compounds have been isolated and
identified from the extracts, in which the amounts of methyl gallate and quercetin are fairly large with
around 1.588 ± 0.014 and 3.145 ± 0.049 mg/g, respectively. In addition, the antioxidant potential of all
extracted fractions and the isolated compounds were evaluated through DPPH radical scavenging.
Moreover, the antioxidant capacity of some selected phenolic compounds was also computationally
predicted using density functional theory. It was found that there is a consistency in both theoretical
and experimental approaches for evaluating the antioxidants of the phenolic compounds extracted from
Keywords: Archidendron bauchei, HPLC, DPPH, total antioxidant capacity, bond dissociation enthalpies, ionization energies.
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