Radical scavenging capacity, UV activity, and molecular docking studies of 2ʹ, 5ʹ, 3, 4-Tetrahydroxychalcone: An insight into the photoprotection

Radical scavenging capacity, UV activity, and molecular docking studies of 2ʹ, 5ʹ, 3, 4-Tetrahydroxychalcone: An insight into the photoprotection

A theoretical evaluation of radical scavenging activity and UV absorbing ability of chalcone named 2ʹ, 5ʹ, 3, 4-Tetrahydroxychalcone has been performed in the gas phase and aqueous media. The DFT-B3LYP/6–311+G (d, p) level of theory was utilized for geometry optimization and the calculation of react...

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Bibliographic Details
Main Authors: P.C. Sumayya, V.M. Abdul Mujeeb, K. Muraleedharan
Format: Article
Language:English
Published: Elsevier 2022-12-01
Series:Chemical Physics Impact
Subjects:
2′-hydroxychalcone
QTAIM, NCI
Electron-hole
Radical scavenging activity
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022422000640

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