title: Extrapolating between toxicity endpoints of metal oxide nanoparticles: Predicting toxicity to Escherichia coli and human keratinocyte cell line (HaCaT) with Nano-QTTR.
abstract: Synthesis of novel nanoparticles should always be accompanied by a comprehensive assessment of risk to human health and to ecosystem. Application of in silico models is encouraged by regulatory authorities to fill the data gaps related to the properties of nanoparticles affecting the environment and human health. Interspecies toxicity correlations provide a tool for estimation of contaminant's sensitivity with known levels of uncertainty for a diverse pool of species. We propose here first interspecies cytotoxicity correlation models between Escherichia coli (prokaryotic system) and human keratinocyte cell line (HaCaT) (eukaryotic system) to assess the discriminatory features for cytotoxicity of metal oxide nanoparticles. The nano-QTTR models can be employed for extrapolating cytotoxicity to E. coli and human keratinocyte cell line (HaCaT) for metal nanoparticles when the data for the other species are available. Informative illustrations of the contributing mechanisms of toxic action of the metal oxide nanoparticles to the HaCaT cell line as well as to the E. coli are identified from the developed nano quantitative toxicity-toxicity relationship (nano-QTTR) models.
authors.affiliation: Laboratory of Environmental Chemometrics, Institute for Environmental and Human Health Protection, Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland; Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India; Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, Jackson, MS, USA.
authors.forename: Supratik
authors.initials: S
authors.lastname: Kar
authors.affiliation: Laboratory of Environmental Chemometrics, Institute for Environmental and Human Health Protection, Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland.
authors.forename: Agnieszka
authors.initials: A
authors.lastname: Gajewicz
authors.affiliation: Drug Theoretics and Cheminformatics Laboratory, Department of Pharmaceutical Technology, Jadavpur University, Kolkata 700032, India.
authors.forename: Kunal
authors.initials: K
authors.lastname: Roy
authors.affiliation: Interdisciplinary Nanotoxicity Center, Department of Chemistry and Biochemistry, Jackson State University, Jackson, MS, USA.
authors.forename: Jerzy
authors.initials: J
authors.lastname: Leszczynski
authors.affiliation: Laboratory of Environmental Chemometrics, Institute for Environmental and Human Health Protection, Faculty of Chemistry, University of Gdańsk, Gdańsk, Poland. Electronic address: t.puzyn@qsar.eu.org.
authors.forename: Tomasz
authors.initials: T
authors.lastname: Puzyn
mesh_terms: D002460:Cell Line; D023381:Endpoint Determination; D004926:Escherichia coli / Q000187:drug effects*; D006801:Humans; D015603:Keratinocytes / Q000187:drug effects*; D053768:Metal Nanoparticles / Q000633:toxicity*; D008954:Models, Biological; D010087:Oxides
chemical_list: D010087:Oxides
keywords: Cytotoxicity; E. coli; HaCaT; Metal oxides; Nano-QSAR; Nanoparticles