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Updated: May 19, 2026

Free Radicals in Chemical Biology: from Chemical Behavior to Biomarker Development
Published on: April 15, 2013
Carbohydrates and their free radical scavenging capability: a theoretical study
Elizabeth Hernandez-Marin1, Ana Martínez
1Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito Exterior s/n, C. U. P.O. Box 70-360, Coyoacán, 04510 México, DF México. ehdzmarin@gmail.com
Abstract:
A density functional theory (DFT) study on the free radical (OH(•) and OOH(•)) scavenging properties of some mono- and polysaccharides is presented. Two mechanisms, single electron transfer (SET) and hydrogen atom transfer (HAT), are considered. The former mechanism is studied by making use of the vertical ionization energy and vertical electron affinity of the radicals and carbohydrates. It is confirmed that the SET mechanism is not plausible to occur. With respect to the HAT, not only does the OH(•) radical react preferably with one hydrogen atom bonded to one carbon atom, but also the reaction with a hydrogen atom bonded to an oxygen is possible. Finally, it is suggested that the carbohydrates are not able to directly scavenge OOH(•).
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