Investigation and Comparison of Antioxidant Potential of Catechins Present in Green Tea: DFT Study

dc.contributor.author	Wijesooriya, Sanduni S.
dc.contributor.author	Pandithavidana, Dinesh R.
dc.date.accessioned	2023-01-04T03:07:33Z
dc.date.available	2023-01-04T03:07:33Z
dc.date.issued	2022
dc.identifier.citation	Wijesooriya, S. S., & Pandithavidana, D. R. (2022). Investigation and Comparison of Antioxidant Potential of Catechins Present in Green Tea: DFT Study. Chemistry ; Chemical Technology, 16(4), 591–599. https://doi.org/10.23939/chcht16.04.591	en_US
dc.identifier.uri	http://repository.kln.ac.lk/handle/123456789/25707
dc.description.abstract	DFT calculations were applied to compare the antioxidant potential of four major catechins present in green tea. The thermodynamic parameters related to three key mechanisms of primary antioxidant action were investigated in detail. Molecular orbital energies, absolute hardness, electronegativity, and electrophilicity index, which contributed to the radical scavenging were also investigated. The radical scavenging potential of each hydroxyl group of these polyphenolic antioxidants were investigated independently.	en_US
dc.publisher	Chemistry Chemical Technology	en_US
dc.subject	DFT, catechins, hydrogen atom transfer, single electron transfer–proton transfer, sequential proton loss–electron transfer, HOMO-LUMO	en_US
dc.title	Investigation and Comparison of Antioxidant Potential of Catechins Present in Green Tea: DFT Study	en_US