Conformation-dependent antioxidant properties of β-carotene
L. Sandhiya, Hendrik Zipse
Abstract
form the most favorable H-atom abstraction reaction occurs at the C4 position of the terminal regions of the polyene π-system of β-carotene, closely followed by hydrogen abstraction from the C5 methyl position. The H-atom abstraction reactions are more exothermic in water than in the gas phase due to solvation energies for the water product.
Topics & Concepts
ChemistryPolyeneHydrogen atom abstractionCaroteneConformational isomerismExothermic reactionSolvationHydrogen bondHydrogen atomPhotochemistryRadicalAqueous solutionComputational chemistryStereochemistryMoleculePhysical chemistryOrganic chemistryAlkylFree Radicals and AntioxidantsAntioxidant Activity and Oxidative StressSpectroscopy and Quantum Chemical Studies