Title: A Theoretical Framework for Predicting the Oxidative Stress Potential of Oxide Nanoparticles
Citation: NANOTOXICOLOGY vol. 5 no. 2 p. 228-235
Publication Year: 2011
JRC N°: JRC58912
ISSN: 1743-5390
URI: http://informahealthcare.com/doi/abs/10.3109/17435390.2010.502980
DOI: 10.3109/17435390.2010502980
Type: Articles in periodicals and books
Abstract: In this paper we propose a theoretical model that predicts the oxidative stress potential of oxide nanoparticles by looking at the ability of these materials to perturb the intracellular redox state. The model uses reactivity descriptors to build the energy band structure of oxide nanoparticles and predicts their ability to induce an oxidative stress by comparing the redox potentials of relevant intracellular reactions with the oxides' energy structure. We find that nanoparticles displaying band energy values comparable with redox potentials of antioxidants or radical formation reactions have the ability to cause an oxidative stress and a cytotoxic response in vitro. We discuss the model's predictions for 6 relevant oxide nanoparticles (TiO2, CuO, ZnO, FeO, Fe2O3, Fe3O4) with literature in vitro studies and calculate the energy structure for 64 additional oxide nanomaterials. Such a framework would guide the development of more rational and efficient screening strategies avoiding random or exhaustive testing of new nanomaterials.
JRC Directorate:Institute for Health and Consumer Protection Historical Collection

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