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Title: Studies on the antioxidant activity of apigenin, luteolin and nevadensin using DFT
Authors: Nguyen, Trung Huy
Nguyen, Van Trang
Nguyen, Thi Xuyen
Cao, Thi Hong
Vo, Thi Kieu Anh
Vu, Quoc Thai
Bui, Van Cuong
Tran, Thi Thanh Van
Nguyen, Van Trang
Tran, Dai Lam
Nguyen, Thi Hoan
Phan, Thi Thuy
Trinh, Quang Dung
Keywords: DFT
Issue Date: 2021
Series/Report no.: Vietnam Journal of Science and Technology;Vol.59, No.01 .- P.19-29
Abstract: The molecular properties of apigenin, luteolin and nevadensin which are three naturally flavonoid compounds have been studied theoretically by DFT method at 6-311++G(d,p) level. All FMO analysis, mechanism, and kinetics studied suggested that compound luteolin (3) was a promising antioxidant agent. The results indicated that HAT is thermodynamically preferred in the gas phase, and SPLET is the thermodynamically favorable pathway in methanol and water.
ISSN: 2525-2518
Appears in Collections:Vietnam journal of science and technology

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