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

Burello, Enrico, Worth, Andrew P.·2011·Nanotoxicology

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, assuming a particle diameter larger than 20-30 nm and no surface states in the band gap, and predicts their ability to induce an oxidative stress by comparing the redox potentials of relevant intracellular reactions with the oxides' energy structure. 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 six relevant oxide nanoparticles (TiO(2), CuO, ZnO, FeO, Fe(2)O(3), Fe(3)O(4)) 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.

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Metadata

Authors
Burello, E., & Worth, A. P.
Venue
Nanotoxicology
Published
2010-07-15
Volume
5
Issue
2
Pages
228-235
ISSN
  • 1743-5390 (ISSN-L)
  • 1743-5404
OpenAlex
W2098811469
Cited by
334
References
26
FWCI
5.71
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: A theoretical framework for predicting the oxidative stress potential of oxide nanoparticles. https://app.cochat.ai/papers/10.3109/17435390.2010.502980
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Burello, E., & Worth, A. P. (2011). A theoretical framework for predicting the oxidative stress potential of oxide nanoparticles. Nanotoxicology. https://doi.org/10.3109/17435390.2010.502980

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.