STUDIES ON THE ANTIOXIDANT ACTIVITY OF APIGENIN, LUTEOLIN AND NEVADENSIN USING DFT

Authors

  • Dung Trinh
  • Huy Trung
  • Xuyen Nguyen
  • Nguyễn Tráng
  • Hong Cao
  • Anh Vo
  • Thai Vu
  • Cuong Bui
  • Van Thanh
  • Lam Tran

DOI:

https://doi.org/10.15625/2525-2518/59/1/15472

Keywords:

DFT, flavonoids, HAT, SET-PT, SPLET, antioxindant

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. Both FMO analysis, mechanism, and kinetics studied suggested that compound Luteolin (compound 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

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Author Biographies

Dung Trinh

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Huy Trung

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Xuyen Nguyen

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Nguyễn Tráng

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Hong Cao

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Anh Vo

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Thai Vu

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Cuong Bui

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Van Thanh

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

Lam Tran

Institute for Tropical Technology (ITT), Vietnam Academy of Science and Technology (VAST), 18 Hoang Quoc Viet Road, Cau Giay District, Hanoi, Vietnam.

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Published

2021-01-15

Issue

Section

Natural Products