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Antioxidant activity of fullerene C60 against OH free radicals: An Quantum Chemistry and Computational Kinetics Study

C. Iuga
Universidad Autónoma Metropolitana, MX

Keywords: fullerene C60, radical scavenger, antioxidant activity, biological applications


Fullerenes are considered to be the world’s most efficient radical scavenger, and represents an attractive tool for biological applications. Indeed, it have been demonstrated in vivo and in vitro, that fullerenes and related structures reduce the toxicity of free radical assault on neuronal tissue, reacting readily and at a high rate with free radicals, which are often the cause of cell damage or death. Although there is strong evidence that antioxidant activity is an intrinsec property of fullerenes, the mechanism of radical scavenging and neuroprotection are still unclear. In this work, we have studied the reaction between fullerene C60 and hydroxyl radicals, using high level quantum chemistry and computational kinetics methods. Energy profiles are calculated using different basis sets, and reaction rate constant are reported for the first time. The presence of nonpolar environments seems to enhance the reactivity of fullerene molecule toward OH radicals, compared to the gas phase. Energetic considerations show that, once a first radical is attached to the fullerene cage, further additions are increasingly feasible, suggesting that fullerene can act as OH radical sponges.
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