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https://dspace.ctu.edu.vn/jspui/handle/123456789/67900| 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 Flavonoids HAT SET-PT SPLET Antioxindant |
| 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. |
| URI: | https://dspace.ctu.edu.vn/jspui/handle/123456789/67900 |
| ISSN: | 2525-2518 |
| Appears in Collections: | Vietnam journal of science and technology |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| _file_ Restricted Access | 2.34 MB | Adobe PDF | ||
| Your IP: 13.59.236.101 |
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