Some Particularities of the Reaction between Antioxidant Phenolic Acids and the Free Radical ABTS•+: a Comparative DFT Study for the Gas Phase and Ethanol

Some Particularities of the Reaction between Antioxidant Phenolic Acids and the Free Radical ABTS•+: a Comparative DFT Study for the Gas Phase and Ethanol

The detailed mechanism of the interaction of the radical cation ABTS•+ with a number of food acids (gallic, ferulic, caffeic, vanillic, cinnamic, syringic, p-coumaric) is revealed by means of the DFT calculations. It is shown that the interaction between the neutral molecules of the studied food aci...

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Bibliographic Details
Main Authors: Mikhail Gorbachev, Natalia Gorinchoy, Iolanta Balan
Format: Article
Language:English
Published: Academy of Sciences of Moldova, Institute of Chemistry 2021-07-01
Series:Chemistry Journal of Moldova: General, Industrial and Ecological Chemistry
Subjects:
antioxidant activity
radical cation abts•+
food acid
charge transfer complex
dft calculation
Online Access: https://cjm.asm.md/sites/default/files/article_files/ChemJMold_10.19261cjm.2021.919-Gorinchoy.pdf

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