Toward computational and experimental characterisation for risk assessment of metal oxide nanoparticles

Escorihuela, Laura; Martorell, Benjamí; Rallo, Robert; Fernández, Alberto

doi:10.1039/c8en00389k

Title: Toward computational and experimental characterisation for risk assessment of metal oxide nanoparticles

Journal Article · Mon Jan 01 00:00:00 EST 2018 · Environmental Science: Nano

DOI:https://doi.org/10.1039/c8en00389k· OSTI ID:1508245

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Departament d'Enginyeria Química; Universitat Rovira i Virgili; 43007 Tarragona; Spain
Advanced Computing, Mathematics, and Data Division; Pacific Northwest National Laboratory; Richland; USA

Metal oxide (MeO) nanoparticles (NPs) have become common in our everyday life over the past years. However, there is still an important knowledge gap regarding their toxicological effect and, in particular, how the different physical and chemical properties of MeO NPs influence their cytotoxicity and the subsequent implications for risk assessment. This work analyses the physicochemical properties of MeO NPs that have been reported as relevant for risk assessment and the experimental and theoretical methods used to obtain them. The surface, physical and chemical properties of NPs have been critically revisited to shed light on the features that can cause toxicity. Due to the large number of existing MeO NPs, in silico studies are necessary to get a good understanding of the NPs' physicochemical properties; therefore this review focuses on the state of the art computational methods used to model MeO NP toxicity: QSAR and QSTR models and their alternative approaches provide a better understanding of MeO NP biological toxicity in organisms.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1508245

Report Number(s):: PNNL-SA-136568; ESNNA4

Journal Information:: Environmental Science: Nano, Vol. 5, Issue 10; ISSN 2051-8153

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 9 works

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