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Publication . Article . 2011

A theoretical framework for predicting the oxidative stress potential of oxide nanoparticles

Enrico Burello; Andrew Worth;
Open Access
Published: 01 Jan 2011 Journal: Nanotoxicology, volume 5, issue 2, pages 228-235 (issn: 1743-5390, eissn: 1743-5404, Copyright policy )

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.I.6-Systems toxicology

Subjects by Vocabulary

Microsoft Academic Graph classification: Inorganic chemistry Surface states Nanoparticle Oxide chemistry.chemical_compound chemistry Reactivity (chemistry) Nanotoxicology Chemical engineering Nanomaterials Band gap Redox Materials science


Humans, Materials Testing, Models, Theoretical, Nanoparticles, Nanostructures, Oxidation-Reduction, Oxidative Stress, Oxides, Particle Size, Toxicology, Biomedical Engineering

Funded by
Development of methodology for alternative testing strategies for the assessment of the toxicological profile of nanoparticles used in medical diagnostics
  • Funder: European Commission (EC)
  • Project Code: 201335
  • Funding stream: FP7 | SP1 | HEALTH
Validated by funder