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Cytotoxicity towards CCO cells of imidazolium ionic liquids with functionalized side chains: Preliminary QSTR modeling using regression and classification based approaches.
- Source :
- Ecotoxicology & Environmental Safety; Feb2015, Vol. 112, p22-28, 7p
- Publication Year :
- 2015
-
Abstract
- Within this work we evaluated the cytotoxicity towards the Channel Catfish Ovary (CCO) cell line of some imidazolium-based ionic liquids containing different functionalized and unsaturated side chains. The toxic effects were measured by the reduction of the WST-1 dye after 72 h exposure resulting in dose- and structure-dependent toxicities. The obtained data on cytotoxic effects of 14 different imidazolium ionic liquids in CCO cells, expressed as EC<subscript>50</subscript> values, were used in a preliminary quantitative structure–toxicity relationship (QSTR) study employing regression- and classification-based approaches. The toxicity of ILs towards CCO was chiefly related to the shape and hydrophobicity parameters of cations. A significant influence of the quantum topological molecular similarity descriptor ellipticity ( ε ) of the imine bond was also observed. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 01476513
- Volume :
- 112
- Database :
- Supplemental Index
- Journal :
- Ecotoxicology & Environmental Safety
- Publication Type :
- Academic Journal
- Accession number :
- 99899826
- Full Text :
- https://doi.org/10.1016/j.ecoenv.2014.10.029