The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
Status PubMed-not-MEDLINE Language English Country Germany Media print-electronic
Document type Journal Article
Grant support
001
World Health Organization - International
R01 GM092218
NIGMS NIH HHS - United States
R03 CA222452
NCI NIH HHS - United States
T32 GM065086
NIGMS NIH HHS - United States
PubMed
36284750
PubMed Central
PMC9587084
DOI
10.1186/s12302-022-00680-6
PII: 680
Knihovny.cz E-resources
- Keywords
- Chemicals of emerging concern, Cheminformatics, Data exchange, Environmental contaminants, Exposomics, FAIR (Findable Accessible Interoperable Reusable) data, High resolution mass spectrometry, Non-target screening, Open science, Suspect screening,
- Publication type
- Journal Article MeSH
BACKGROUND: The NORMAN Association (https://www.norman-network.com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https://www.norman-network.com/nds/SLE/) in 2015, following the NORMAN collaborative trial on non-target screening of environmental water samples by mass spectrometry. Since then, this exchange of information on chemicals that are expected to occur in the environment, along with the accompanying expert knowledge and references, has become a valuable knowledge base for "suspect screening" lists. The NORMAN-SLE now serves as a FAIR (Findable, Accessible, Interoperable, Reusable) chemical information resource worldwide. RESULTS: The NORMAN-SLE contains 99 separate suspect list collections (as of May 2022) from over 70 contributors around the world, totalling over 100,000 unique substances. The substance classes include per- and polyfluoroalkyl substances (PFAS), pharmaceuticals, pesticides, natural toxins, high production volume substances covered under the European REACH regulation (EC: 1272/2008), priority contaminants of emerging concern (CECs) and regulatory lists from NORMAN partners. Several lists focus on transformation products (TPs) and complex features detected in the environment with various levels of provenance and structural information. Each list is available for separate download. The merged, curated collection is also available as the NORMAN Substance Database (NORMAN SusDat). Both the NORMAN-SLE and NORMAN SusDat are integrated within the NORMAN Database System (NDS). The individual NORMAN-SLE lists receive digital object identifiers (DOIs) and traceable versioning via a Zenodo community (https://zenodo.org/communities/norman-sle), with a total of > 40,000 unique views, > 50,000 unique downloads and 40 citations (May 2022). NORMAN-SLE content is progressively integrated into large open chemical databases such as PubChem (https://pubchem.ncbi.nlm.nih.gov/) and the US EPA's CompTox Chemicals Dashboard (https://comptox.epa.gov/dashboard/), enabling further access to these lists, along with the additional functionality and calculated properties these resources offer. PubChem has also integrated significant annotation content from the NORMAN-SLE, including a classification browser (https://pubchem.ncbi.nlm.nih.gov/classification/#hid=101). CONCLUSIONS: The NORMAN-SLE offers a specialized service for hosting suspect screening lists of relevance for the environmental community in an open, FAIR manner that allows integration with other major chemical resources. These efforts foster the exchange of information between scientists and regulators, supporting the paradigm shift to the "one substance, one assessment" approach. New submissions are welcome via the contacts provided on the NORMAN-SLE website (https://www.norman-network.com/nds/SLE/). SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s12302-022-00680-6.
Agilent Technologies Inc 5301 Stevens Creek Blvd Santa Clara CA 95051 USA
Bavarian Environment Agency 86179 Augsburg Germany
Chemical Contamination of Marine Ecosystems Rue de l'Ile d'Yeu BP 21105 44311 Cedex 3 Nantes France
Corteva Agriscience Indianapolis IN USA
Department of Bioinformatics BiGCaT NUTRIM Maastricht University Maastricht The Netherlands
Department of Chemistry Chemical Biological Centre Umeå University Linnaeus Väg 6 901 87 Umeå Sweden
Department of Chemistry Norwegian University of Science and Technology 7491 Trondheim Norway
Environment Agency Horizon House Deanery Road Bristol BS1 5AH UK
Environmental Institute Okružná 784 42 972 41 Koš Slovak Republic
Food Packaging Forum Foundation Staffelstrasse 10 8045 Zurich Switzerland
Fraunhofer Institute for Molecular Biology and Applied Ecology Schmallenberg Germany
German Environment Agency Wörlitzer Platz 1 Dessau Roßlau Germany
Hope College Holland MI 49422 USA
INERIS National Institute for Environment and Industrial Risks Verneuil en Halatte France
Institute for Biodiversity and Ecosystem Dynamics University of Amsterdam Amsterdam The Netherlands
Institute for Risk Assessment Sciences Utrecht University Utrecht The Netherlands
Institute of Biogeochemistry and Pollutant Dynamics ETH Zurich 8092 Zurich Switzerland
Institute of Ecology Evolution and Diversity Goethe University Frankfurt Am Main Germany
Institute of Health Research Pere Virgili Tarragona Spain
Leidos Research Triangle Park NC USA
Mass Spec Interpretation Services 3612 Hemlock Park Drive Kingsport TN 37663 USA
NILU Norwegian Institute for Air Research Kjeller Norway
Norwegian Geotechnical Institute Ullevål Stadion P O Box 3930 0806 Oslo Norway
Oniris INRAE LABERCA 44307 Nantes France
RECETOX Faculty of Science Masaryk University Kotlářská 2 Brno Czech Republic
Swedish Chemicals Agency P O Box 2 172 13 Sundbyberg Sweden
Swedish University of Agricultural Sciences Uppsala Sweden
Thermo Fisher Scientific Dornierstrasse 4 82110 Germering Germany
Toxicological Centre University of Antwerp Antwerp Belgium
UFZ Helmholtz Centre for Environmental Research Leipzig Germany
University of Alberta Edmonton AB T6G 2G3 Canada
University of California Berkeley CA USA
University Rovira i Virgili Tarragona Spain
Water Research Institute Nábr Arm Gen L Svobodu 5 81249 Bratislava Slovak Republic
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