Articles producció científica> Enginyeria Química

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

  • Identification data

    Identifier: imarina:5132380
    Authors:
    Escorihuela L., Martorell B., Rallo R., Fernández A.
    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.
  • Others:

    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: benjami.martorell@urv.cat benjami.martorell@urv.cat alberto.fernandez@urv.cat benjami.martorell@urv.cat laura.escorihuela@urv.cat laura.escorihuela@urv.cat
    Author identifier: 0000-0002-7759-8042 0000-0002-7759-8042 0000-0002-1241-1646 0000-0002-7759-8042 0000-0002-6350-2396 0000-0002-6350-2396
    Last page: 2251
    Record's date: 2024-08-03
    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: https://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
  • Keywords:

    Chemistry, Multidisciplinary,Environmental Science (Miscellaneous),Environmental Sciences,Materials Science (Miscellaneous),Nanoscience & Nanotechnology
    Toxicity
    Solubility
    Simultaneous prediction
    Phase-stability
    Optical-properties
    Nanotechnology
    Mechanisms
    Cytotoxicity
    Conductivity
    Band-gap
    Nanoscience & nanotechnology
    Materials science (miscellaneous)
    General environmental science
    Environmental sciences
    Environmental science (miscellaneous)
    Environmental science (all)
    Chemistry, multidisciplinary
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