Insights into the mechanisms and kinetics of the hydroperoxyl radical scavenging activity of Artepillin C

2021 ◽  
Author(s):  
Houssem Boulebd ◽  
Adam Mechler ◽  
Nguyen Thi Hoa ◽  
Pham Cam Nam ◽  
Duong Tuan Quang ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Single Electron ◽  
Scavenging Activity ◽  
Single Electron Transfer ◽  
Hydroperoxyl Radical ◽  
Electron Transfer Mechanism ◽  
Artepillin C ◽  
Kinetics Of

Through the single electron transfer mechanism, Artepillin C scavenges the hydroperoxyl radical in water approximately 572 times faster than Trolox.

DFT study of free radical scavenging activity of erodiol

2013 ◽  
Vol 67 (11) ◽  
Author(s):  
Zoran Marković ◽  
Jelena Đorović ◽  
Milan Dekić ◽  
Milanka Radulović ◽  
Svetlana Marković ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Radical Scavenging Activity ◽  
Radical Scavenging ◽  
Hydrogen Atom Transfer ◽  
Free Radical Scavenging ◽  
Single Electron Transfer ◽  
Transfer Energy ◽  
Dissociation Enthalpy ◽  
Proton Dissociation ◽  
Transfer Mechanisms

AbstractAntioxidant activity of erodiol was examined at the M05-2X/6-311+G(d,p) level of theory in the gas and aqueous phases. The structure and energy of radicals and anions of the most stable erodiol rotamer were analyzed. To estimate antioxidant potential of erodiol, different molecular properties were examined: bond dissociation enthalpy, proton affinity together with electron transfer energy, and ionization potential followed by proton dissociation enthalpy. It was found that hydrogen atom transfer is the prevailing mechanism of erodiol behavior in gas; whereas single electron transfer followed by proton transfer and sequential proton loss electron transfer mechanisms represent the thermodynamically preferred reaction paths in water.

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