Articles producció científica> Enginyeria Química

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

  • Dades identificatives

    Identificador: imarina:5132380
    Autors:
    Escorihuela L., Martorell B., Rallo R., Fernández A.
    Resum:
    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.
  • Altres:

    Autor segons l'article: Escorihuela L., Martorell B., Rallo R., Fernández A.
    Departament: Enginyeria Química Enginyeria Informàtica i Matemàtiques
    Autor/s de la URV: Escorihuela Martí, Laura / Fernández Sabater, Alberto / Martorell Masip, Benjamí / Rallo Moyá, Roberto Jesús
    Paraules clau: Toxicity Solubility Simultaneous prediction Phase-stability Optical-properties Nanotechnology Mechanisms Cytotoxicity Conductivity Band-gap
    Resum: 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.
    Àrees temàtiques: Nanoscience & nanotechnology Materials science (miscellaneous) General environmental science Environmental sciences Environmental science (miscellaneous) Environmental science (all) Chemistry, multidisciplinary
    Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 20518153
    Adreça de correu electrònic de l'autor: benjami.martorell@urv.cat benjami.martorell@urv.cat alberto.fernandez@urv.cat benjami.martorell@urv.cat laura.escorihuela@urv.cat laura.escorihuela@urv.cat
    Identificador de l'autor: 0000-0002-7759-8042 0000-0002-7759-8042 0000-0002-1241-1646 0000-0002-7759-8042 0000-0002-6350-2396 0000-0002-6350-2396
    Pàgina final: 2251
    Data d'alta del registre: 2024-08-03
    Volum de revista: 5
    Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion
    Enllaç font original: https://pubs.rsc.org/en/content/articlelanding/2018/en/c8en00389k#!divAbstract
    URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referència a l'article segons font original: Environmental Science-Nano. 5 (10): 2241-2251
    Referència de l'ítem segons les normes 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
    DOI de l'article: 10.1039/C8EN00389K
    Entitat: Universitat Rovira i Virgili
    Any de publicació de la revista: 2018
    Pàgina inicial: 2241
    Tipus de publicació: Journal Publications
  • Paraules clau:

    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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