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Development of QICAR Models to Address the Lack of Toxicological Data for Technology‐Critical Elements.


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Le Faucheur, Séverine; Mertens, Jelle; Van Genderen, Eric; Boullemant, Amiel; Fortin, Claude ORCID logoORCID: https://orcid.org/0000-0002-2479-1869 et Campbell, Peter G. C. (2021). Development of QICAR Models to Address the Lack of Toxicological Data for Technology‐Critical Elements. Environmental Toxicology and Chemistry , vol. 40 , nº 4. pp. 1139-1148. DOI: 10.1002/etc.4960.

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recent industrial developments have resulted in an increase in use of so‐called technology‐critical elements (TCEs), for which the potential impacts on aquatic biota remain to be evaluated. In the present study, quantitative ion character activity relationships (QICARs) have been developed to relate intrinsic metal properties to their toxicity towards freshwater aquatic organisms. In total, 23 metal properties were tested as predictors of acute ec50 values for 12 data‐rich metals, for algae, daphnids and fish (with and without species distinction). Simple and multiple linear regressions were developed using the toxicological data expressed as a function of the total dissolved metal concentrations. The best regressions were then tested by comparing the predicted ec50 values for the tces (germanium, indium, gold, rhenium and platinum group elements – pges – which include iridium, platinum, palladium, rhodium, and ruthenium) with the few measured values that are available. The eight ‘best’ QICAR models (adjusted r ² > 0.6) used χm ²r as the predictor. For a given metal ion, this composite parameter, also known as the covalent index, is a measure of the importance of covalent interactions relative to ionic interactions. The toxicity of the tces was reasonably well predicted for most of the TCEs, with values falling within the 95 percent prediction intervals for the regressions of the measured versus predicted ec50 values. Exceptions included au(i) (all test organisms), au(iii) (algae and fish), pt(ii) (algae, daphnids), ru(iii) (daphnids) and rh(iii) (daphnids, fish). We conclude that qicars show potential as a screening tool to review toxicity data and flag ‘outliers’, which might need further scrutiny, and as an interpolating or extrapolating tool to predict TCE toxicity.

Type de document: Article
Mots-clés libres: platinum group elements; precious metals; Ge; In; Re; quantitative ion character activity relationships
Centre: Centre Eau Terre Environnement
Date de dépôt: 03 févr. 2021 19:25
Dernière modification: 08 févr. 2022 20:09
URI: https://espace.inrs.ca/id/eprint/11224

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