Author, as appears in the article.: Escorihuela L., Martorell B., Rallo R., Fernández A.

Department: Enginyeria Química Enginyeria Informàtica i Matemàtiques

URV's Author/s: Escorihuela Martí, Laura / Fernández Sabater, Alberto / Martorell Masip, Benjamí / Rallo Moyá, Roberto Jesús

Keywords: Toxicity Solubility Simultaneous prediction Phase-stability Optical-properties Nanotechnology Mechanisms Cytotoxicity Conductivity Band-gap

Abstract: 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.

Thematic Areas: Nanoscience & nanotechnology Materials science (miscellaneous) General environmental science Environmental sciences Environmental science (miscellaneous) Environmental science (all) Chemistry, multidisciplinary

licence for use: https://creativecommons.org/licenses/by/3.0/es/

ISSN: 20518153

Author's mail: robert.rallo@urv.cat benjami.martorell@urv.cat laura.escorihuela@urv.cat laura.escorihuela@urv.cat benjami.martorell@urv.cat alberto.fernandez@urv.cat

Author identifier: 0000-0003-3812-4458 0000-0002-6350-2396 0000-0002-6350-2396 0000-0002-1241-1646

Last page: 2251

Record's date: 2023-02-18

Journal volume: 5

Papper version: info:eu-repo/semantics/publishedVersion

Link to the original source: https://pubs.rsc.org/en/content/articlelanding/2018/en/c8en00389k#!divAbstract

Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/

Papper original source: Environmental Science-Nano. 5 (10): 2241-2251

APA: Escorihuela L., Martorell B., Rallo R., Fernández A. (2018). Toward computational and experimental characterisation for risk assessment of metal oxide nanoparticles. Environmental Science-Nano, 5(10), 2241-2251. DOI: 10.1039/C8EN00389K

Article's DOI: 10.1039/c8en00389k

Entity: Universitat Rovira i Virgili

Journal publication year: 2018

First page: 2241

Publication Type: Journal Publications