Theoretical studies on the antioxidant activity of viniferifuran

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成果类型：

期刊论文

作者：

Shang, Yaxuan;Zhou, Huakang;Li, Xiangzhou*;Zhou, Jun;Chen, Kai*

通讯作者：

Li, Xiangzhou;Chen, Kai

作者机构：

[Li, XZ; Chen, Kai; Zhou, Huakang; Zhou, Jun; Shang, Yaxuan; Li, Xiangzhou] Cent South Univ Forestry & Technol, Sch Mat Sci & Engn, Changsha 410004, Hunan, Peoples R China.

[Zhou, Jun; Li, Xiangzhou] Cent South Univ Forestry & Technol, Inst Nat Prod Res & Dev, Changsha 410004, Hunan, Peoples R China.

[Chen, Kai] Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.

[Chen, Kai] Peking Univ, State Key Lab Chem Oncogen, Shenzhen Grad Sch, Shenzhen 518055, Peoples R China.

通讯机构：

[Li, XZ; Chen, K; Li, Xiangzhou; Chen, Kai] C

[Chen, Kai] P

Cent South Univ Forestry & Technol, Sch Mat Sci & Engn, Changsha 410004, Hunan, Peoples R China.

Cent South Univ Forestry & Technol, Inst Nat Prod Res & Dev, Changsha 410004, Hunan, Peoples R China.

Cent S Univ, Coll Chem & Chem Engn, Changsha 410083, Hunan, Peoples R China.

语种：

英文

关键词：

antioxidant;benzene;hydroxyl radical;methanol;peroxy radical;resveratrol;unclassified drug;viniferifuran;water;antioxidant activity;Article;comparative effectiveness;controlled study;density functional theory;dissociation;drug efficacy;drug mechanism;electron transport;enthalpy;gas;hydroxyl radical scavenging assay;kinetic parameters;priority journal;reaction analysis;solvation;structure activity relation;theoretical study;thermodynamics

期刊：

NEW JOURNAL OF CHEMISTRY

ISSN：

1144-0546

年：

2019

卷：

期：

页码：

15736-15742

DOI：

10.1039/c9nj02735a

基金类别：

Financial support for this research was provided by the National Key R&D Program of China (No. 2016YFD0600805) and the Natural Science Foundation of Hunan Province (No. 2018JJ3868). We would like to thank the Central South University of Forestry and Technology and the State Key Laboratory of Chemical Genomics of Peking University Shenzhen Graduate School for funding this project. Thanks to the National Supercomputer Centers (Guangzhou & Lvliang) for providing the project’s computing resources.

机构署名：

本校为第一且通讯机构

院系归属：

材料科学与工程学院

摘要：

Viniferifuran is an important natural resveratrol dimer with antioxidant, antiviral, anti-inflammatory and other biological activities. In this paper, density functional calculations are carried out to study the antioxidant activity of viniferifuran systematically. The radical scavenging ability of viniferifuran was discussed in detail, thermodynamically and kinetically. All these results suggested that viniferifuran is a stronger antioxidant than resveratrol. These results are of great significance in better understanding the relationship between the antioxidant properties and structural desi...

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