Thermodynamic and kinetic studies of the antiradical activity of 5-hydroxymethylfurfural: computational insights
Houssem Boulebd, Ádám Mechler, Nguyễn Thị Hòa, Quan V. Vo
Abstract
The antiradical properties of 5-HMF in the gas-phase and in physiological environments were examined by thermodynamic and kinetic calculations.
Topics & Concepts
ChemistryKinetic energyGas phase5-hydroxymethylfurfuralThermodynamicsComputational chemistryOrganic chemistryCatalysisQuantum mechanicsPhysicsFree Radicals and AntioxidantsPhotochemistry and Electron Transfer StudiesAntioxidant Activity and Oxidative Stress