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Citation: Ning Zhengxiang, Tan Longfei, Zhang Decong, Fu Hang, Wang Yijun, Gao Jianhua. Correlation between Molecular Structure and Antibacterial Activity of Ethylenedicarboxylic Acids and Esters[J]. Chinese Journal of Applied Chemistry, ;1996, 13(1): 38-42. shu

Correlation between Molecular Structure and Antibacterial Activity of Ethylenedicarboxylic Acids and Esters

1.
Department of Food Engineering, South China University of Technology, Guangzhou 510641

Received Date: 14 April 1995
Available Online: 5 September 1995

Quantum chemistry parameters of ethylenedicarboxylic acids and their esters were calculated with complete neglect of differential overlap method,and the regression and correlation analyses between the antibacterial activity and molecular structure characteristics of these compounds were given.Results show that the antibacterial activity increases with the increase of hydrophobicity of molecules and decreases with the increase of intramolecular interaction force.The antibacterial bioactivity and antimetabolism are negatively correlated to the energy of lowest unoccupied molecular orbitals.The α,β-unsaturated carbonyl group structure is the antibacterial function domain of these compounds, and the active centers are located at β-carbon and oxygen in carbonyl groups.
- ethylenedicarboxylic acid and ester,
- quantum chemistry,
- antibacterial activity
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