Ecotoxicological effect factors for calculating USEtox ecotoxicity characterization factors
Artikel i vetenskaplig tidskrift, 2024
Results: Experimental ecotoxicity data were gathered from the REACH database and CompTox Version 2.1.1, which includes toxicity information from ToxValDB v9.4. QSAR-driven ecotoxicity data were extracted from ECOSAR v1.11 and T.E.S.T. v5.1.2. The experimental and estimated data underwent a harmonization process to ensure consistency. Subsequently, aquatic ecotoxicological EFs were determined. The merged REACH and CompTox databases list EFs for 11,295 substances, each identified by a unique CAS number. Among these, the USEtox database already catalogs 2426 substances with freshwater ecotoxicological EFs. This study expanded on that by calculating EFs for an additional 8869 substances. Using estimated data, EFs were determined for 6029 chemicals based on ECOSAR data and 6762 chemicals using TEST data.
Conclusions: This study calculated EFs for an additional 8869 substances, thereby broadening their inclusion in LCA evaluations. When integrated with the USEtox EFs database, this research encompasses 11,368 chemicals. The high correlation observed between experimental EFs and those in the USEtox database lends significant confidence to the calculations for chemicals not listed in USEtox. Conversely, the low correlation between estimated EFs and those in USEtox suggests limited confidence in calculations based on estimated data. Furthermore, the disparity in correlations between EFs calculated using ECOSAR and TEST indicates that different QSARs can yield varied results. This discrepancy underscores the need for caution when relying on estimated data. Given that EFs are contingent on data availability, it is imperative to periodically update EFs as new data emerges.
Ecotoxicity
USEtox
Characterization factor
Ecotoxicological effect factor
Författare
Rahul Aggarwal
Chalmers, Teknikens ekonomi och organisation, Environmental Systems Analysis
Environmental Sciences Europe
2190-4707 (ISSN) 2190-4715 (eISSN)
Vol. 36 1 127ZeroPM: inga persistenta mobila föroreningar
Europeiska kommissionen (EU) (101036756), 2021-10-01 -- 2026-09-30.
Ämneskategorier
Miljövetenskap
DOI
10.1186/s12302-024-00947-0