Open Access 
Downloads
Download data is not yet available.
Abstract
The geometries and spin density distribution of phenolic radicals are investigated by density functional theory (DFT) at the B3LYP level. Rusults are indicated that spin density distribution of phenolic radicals is high at the O and C (para) positions. The stabilization of the free radical responds to the decrease of the highest spin density (HSD) at a position of structure radical and enhances antioxidant (radical scavenging) activity. Calculated Highest Spin Density values (HSDs) are in good agreement with experimental cites, thereby estimating of scavenging activity of neutral molecules can be used, especially phenolic antioxidants.
Author's Affiliation
Article Details
Issue: Vol 10 No 12 (2007)
Page No.: 57-68
Published: Dec 15, 2007
Section: Article
DOI: https://doi.org/10.32508/stdj.v10i12.2855
Copyright Info
Copyright: The Authors. This is an open access article distributed under the terms of the Creative Commons Attribution License CC-BY 4.0., which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
How to Cite
Thanh Quan, P., Thanh Hung, L., & Ha Thai, T. (2007). ESTIMATION OF SCAVENGING ACTIVITY OF PHENOLIC COMPOUNDS BY CALCULATING SPIN DENSITY DISTRIBUTION. Science and Technology Development Journal, 10(12), 57-68. https://doi.org/https://doi.org/10.32508/stdj.v10i12.2855
Download Citation
Cited by
Article Statistics
HTML = 583 times
Download PDF = 236 times
Total = 236 times
Download PDF = 236 times
Total = 236 times
Most read articles by the same author(s)
- Le Thanh Hung, Pham Thanh Quan, Le Minh Tam, Nguyen Xuan Thom, ABILITY OF ADSORBING AND ION-EXCHANGING OF MODIFIED COCONUT FIBER AND RICE HUSK , Science and Technology Development Journal: Vol 11 No 8 (2008)
- Pham Thanh Quan, Pham Thi Hong Phuong, INVESTIGATION ON THE PRINTING TECHNOLOGY OF THE COTTON 100% FIBERS BY THE MICROWAVE METHOD , Science and Technology Development Journal: Vol 11 No 8 (2008)
- Pham Thanh Quan, Le Thanh Hung, Tran Thi Ha Thai, THEORETICAL STUDY OF THE SPIN DENSITY DISTRIBUTION OF THE GREEN TEA CATECHIN RADICALS , Science and Technology Development Journal: Vol 11 No 11 (2008)
- Pham Thanh Quan, Tong Van Hang, Nguyen Hai Ha, Nguyen Xuan De, Truong Ngoc Tuyen, MICROWAVE-ASSISTED EXTRACTION OF POLYPHENOLS FROM FRESH TEA SHOOT , Science and Technology Development Journal: Vol 9 No 8 (2006)
- Pham Thanh Quan, Le Thanh Hung, Tran Thi Ha Thai, THEORETICAL STUDY OF THE SPIN DENSITY DISTRIBUTION OF THE GREEN TEA CATECHIN RADICALS , Science and Technology Development Journal: Vol 9 No 11 (2006)
