Vera Khoirunisa, .- and Febdian Rusydi*, .- and Lusia S. P. Boli, .- and Adhitya G. Saputro, .- and Hiroshi Nakanishi, .- and Hideaki Kasai, .- and Hermawan K. Dipojono*, .- and Heni Rachmawati, .- (2021) Computational Investigation on the • OOH Scavenging Sites of Gnetin C. Food Biophysics, 16 (2021). pp. 337-345. ISSN 15571858, 15571866,

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Abstract

Melinjo seed extract contains melinjo resveratrol compounds that has antioxidant activity. The radical-scavenging sites required for the antioxidant activity, however, is yet to be located. We report a computational study that aims to locate scavenging sites of the simplest resveratrol dimer, gnetin C. We consider the reaction of gnetin C and hydroperoxyl radical energetically with the basis of density-functional calculations, to be compared with the reaction of the resveratrol monomer, trans-resveratrol, and hydroperoxyl radical. The results show that OH group at the para position is the most reactive scavenging site for both molecules. Besides the OH group, gnetin C also provides two CH groups in the furan ring that are favorable as scavenging sites. Therefore, furan ring plays an important role in the scavenging activity, which is contrary to the experimental speculation that propose resorcinol ring. Our study shows the prospect of density-functional calculation for studying the radical-scavenging reaction.

Item Type:	Article
Uncontrolled Keywords:	Gnetin C, Melinjo resveratrol, Radical-scavenging activity, Density-functional calculations
Subjects:	Q Science Q Science > Q Science (General) Q Science > QC Physics
Divisions:	08. Fakultas Sains dan Teknologi > Fisika
Creators:	Creators NIM Vera Khoirunisa, .- UNSPECIFIED Febdian Rusydi*, .- UNSPECIFIED Lusia S. P. Boli, .- UNSPECIFIED Adhitya G. Saputro, .- UNSPECIFIED Hiroshi Nakanishi, .- UNSPECIFIED Hideaki Kasai, .- UNSPECIFIED Hermawan K. Dipojono*, .- UNSPECIFIED Heni Rachmawati, .- UNSPECIFIED
Depositing User:	Mr Vega Andi Budiman
Date Deposited:	14 Jun 2022 07:46
Last Modified:	21 Dec 2022 06:34
URI:	http://repository.unair.ac.id/id/eprint/116687
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