Structure of Dihydrochalcones and Related Derivatives and Their Scavenging and Antioxidant Activity against Oxygen and Nitrogen Radical Species

Structure of Dihydrochalcones and Related Derivatives and Their Scavenging and Antioxidant Activity against Oxygen and Nitrogen Radical Species

Quantum mechanical calculations at B3LYP/6-31G** level of theory were employed to obtain energy (E), ionization potential (IP), bond dissociation enthalpy (O-H BDE) and stabilization energies (DEiso) in order to infer the scavenging activity of dihydrochalcones (DHC) and structurally related compoun...

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Bibliographic Details
Main Authors: Alexandre L. A. Bentes, Rosivaldo S. Borges, Waldinei R. Monteiro, Luiz G. M. de Macedo, Cláudio N. Alves
Format: Article
Language:English
Published: MDPI AG 2011-02-01
Series:Molecules
Subjects:
DFT
antioxidant activity
SAR
dihydrochalcone derivatives
ionization potential
bond dissociation enthalpy
ROS and RNS
Online Access:http://www.mdpi.com/1420-3049/16/2/1749/

Internet

http://www.mdpi.com/1420-3049/16/2/1749/

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