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In Silico Screening-Level Prioritization of 8468 Chemicals Produced in OECD Countries to Identify Potential Planetary Boundary Threats
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.
Stockholm University, Faculty of Science, Department of Environmental Science and Analytical Chemistry.ORCID iD: 0000-0003-2562-7339
Number of Authors: 32018 (English)In: Bulletin of Environmental Contamination and Toxicology, ISSN 0007-4861, E-ISSN 1432-0800, Vol. 100, no 1, p. 134-146Article in journal (Refereed) Published
Abstract [en]

Legislation such as the Stockholm Convention and REACH aim to identify and regulate the production and use of chemicals that qualify as persistent organic pollutants (POPs) and very persistent and very bioaccumulative (vPvB) chemicals, respectively. Recently, a series of studies on planetary boundary threats proposed seven chemical hazard profiles that are distinct from the POP and vPvB profiles. We previously defined two exposure-based hazard profiles; airborne persistent contaminants (APCs) and waterborne persistent contaminants (WPCs) that correspond to two profiles of chemicals that are planetary boundary threats. Here, we extend our method to screen a database of chemicals consisting of 8648 substances produced within the OECD countries. We propose a new scoring scheme to disentangle the POP, vPvB, APC and WPC profiles by focusing on the spatial range of exposure potential, discuss the relationship between high exposure hazard and elemental composition of chemicals, and identify chemicals with high exposure hazard potential.

Place, publisher, year, edition, pages
2018. Vol. 100, no 1, p. 134-146
Keywords [en]
QSAR, Hazard screening, Planetary boundary, POPs, Persistence, Bioaccumulation, Long-range transport
National Category
Earth and Related Environmental Sciences Occupational Health and Environmental Health
Identifiers
URN: urn:nbn:se:su:diva-152568DOI: 10.1007/s00128-017-2253-9ISI: 000422953500022PubMedID: 29285590OAI: oai:DiVA.org:su-152568DiVA, id: diva2:1183616
Available from: 2018-02-19 Created: 2018-02-19 Last updated: 2018-02-19Bibliographically approved

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Reppas-Chrysovitsinos, EfstathiosSobek, AnnaMacLeod, Matthew
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