The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
| Type | Article | ||||||||||||||||||||||||||||
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| Date | 2022-12 | ||||||||||||||||||||||||||||
| Language | English | ||||||||||||||||||||||||||||
| Author(s) | Mohammed Taha Hiba 1, Aalizadeh Reza2, Alygizakis Nikiforos2, 3, Antignac Jean-Philippe4, Arp Hans Peter H.5, 6, Bade Richard7, Baker Nancy8, Belova Lidia9, Bijlsma Lubertus10, Bolton Evan E.11, Brack Werner12, 13, Celma Alberto10, 14, Chen Wen-Ling15, Cheng Tiejun11, Chirsir Parviel1, Čirka Ľuboš3, 16, D’agostino Lisa A.17, Djoumbou Feunang Yannick18, Dulio Valeria19, Fischer Stellan20, Gago-Ferrero Pablo21, Galani Aikaterini2, Geueke Birgit22, Głowacka Natalia3, Glüge Juliane23, Groh Ksenia24, Grosse Sylvia25, Haglund Peter26, Hakkinen Pertti J.11, Hale Sarah E.5, Hernandez Felix10, Janssen Elisabeth M.-L.24, Jonkers Tim27, Kiefer Karin24, Kirchner Michal28, Koschorreck Jan29, Krauss Martin12, Krier Jessy1, Lamoree Marja H.27, Letzel Marion30, Letzel Thomas31, Li Qingliang11, Little James32, Liu Yanna33, Lunderberg David M.34, 35, Martin Jonathan W.17, McEachran Andrew D.36, McLean John A.37, Meier Christiane29, Meijer Jeroen38, Menger Frank14, Merino Carla39, 40, Muncke Jane22, Muschket Matthias12, Neumann Michael29, Neveu Vanessa41, Ng Kelsey3, 42, Oberacher Herbert43, O’brien Jake7, Oswald Peter3, Oswaldova Martina3, Picache Jaqueline A.37, Postigo Cristina14, 44, Ramirez Noelia39, 45, Reemtsma Thorsten12, Renaud Justin, Rostkowski Pawel46, Rüdel Heinz47, Salek Reza M.48, Samanipour Saer41, Scheringer Martin49, Schliebner Ivo23, 42, Schulz Wolfgang29, Schulze Tobias12, 50, Sengl Manfred30, Shoemaker Benjamin A.11, Sims Kerry51, Singer Heinz24, Singh Randolph1, 52, Sumarah Mark46, Thiessen Paul A.11, Thomas Kevin V.7, Torres Sonia39, Trier Xenia53, Van Wezel Annemarie P.54, Vermeulen Roel C. H.38, Vlaanderen Jelle J.38, von Der Ohe Peter C.29, Wang Zhanyun55, Williams Antony J.56, Willighagen Egon L.57, Wishart David S.58, Zhang Jian11, Thomaidis Nikolaos S.2, Hollender Juliane23, 24, Slobodnik Jaroslav3, Schymanski Emma L.1 |
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| Affiliation(s) | 1 : Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, 6 Avenue du Swing, 4367, Belvaux, Luxembourg 2 : Laboratory of Analytical Chemistry, Department of Chemistry, National and Kapodistrian University of Athens, Panepistimiopolis Zografou, 15771, Athens, Greece 3 : Environmental Institute, Okružná 784/42, 972 41, Koš, Slovak Republic 4 : Oniris, INRAE, LABERCA, 44307, Nantes, France 5 : Norwegian Geotechnical Institute (NGI), Ullevål Stadion, P.O. Box 3930, 0806, Oslo, Norway 6 : Department of Chemistry, Norwegian University of Science and Technology (NTNU), 7491, Trondheim, Norway 7 : Queensland Alliance for Environmental Health Sciences (QAEHS), The University of Queensland, Woolloongabba, QLD, 4102, Australia 8 : Leidos, Research Triangle Park, NC, USA 9 : Toxicological Centre, University of Antwerp, Antwerp, Belgium 10 : Environmental and Public Health Analytical Chemistry, Research Institute for Pesticides and Water, University Jaume I, Castelló, Spain 11 : National Center for Biotechnology Information, National Library of Medicine, National Institutes of Health, 8600 Rockville Pike, Bethesda, MD, 20894, USA 12 : UFZ, Helmholtz Centre for Environmental Research, Leipzig, Germany 13 : Institute of Ecology, Evolution and Diversity, Goethe University, Frankfurt Am Main, Germany 14 : Swedish University of Agricultural Sciences (SLU), Uppsala, Sweden 15 : Institute of Food Safety and Health, College of Public Health, National Taiwan University, 17 Xuzhou Rd., Zhongzheng Dist., Taipei, Taiwan 16 : Faculty of Chemical and Food Technology, Institute of Information Engineering, Automation, and Mathematics, Slovak University of Technology in Bratislava (STU), Radlinského 9, 812 37, Bratislava, Slovak Republic 17 : Science for Life Laboratory, Department of Environmental Science, Stockholm University, 10691, Stockholm, Sweden 18 : Corteva Agriscience, Indianapolis, IN, USA 19 : INERIS, National Institute for Environment and Industrial Risks, Verneuil en Halatte, France 20 : Swedish Chemicals Agency (KEMI), P.O. Box 2, 172 13, Sundbyberg, Sweden 21 : Institute of Environmental Assessment and Water Research-Severo Ochoa Excellence Center (IDAEA), Spanish Council of Scientific Research (CSIC), Barcelona, Spain 22 : Food Packaging Forum Foundation, Staffelstrasse 10, 8045, Zurich, Switzerland 23 : Institute of Biogeochemistry and Pollutant Dynamics, ETH Zurich, 8092, Zurich, Switzerland 24 : Eawag, Swiss Federal Institute for Aquatic Science and Technology, Überlandstrasse 133, 8600, Dübendorf, Switzerland 25 : Thermo Fisher Scientific, Dornierstrasse 4, 82110, Germering, Germany 26 : Department of Chemistry, Chemical Biological Centre (KBC), Umeå University, Linnaeus Väg 6, 901 87, Umeå, Sweden 27 : Department Environment and Health, Amsterdam Institute for Life and Environment, Vrije Universiteit, Amsterdam, The Netherlands 28 : Water Research Institute (WRI), Nábr. Arm. Gen. L. Svobodu 5, 81249, Bratislava, Slovak Republic 29 : German Environment Agency (UBA), Wörlitzer Platz 1, Dessau-Roßlau, Germany 30 : Bavarian Environment Agency, 86179, Augsburg, Germany 31 : Analytisches Forschungsinstitut Für Non-Target Screening GmbH (AFIN-TS), Am Mittleren Moos 48, 86167, Augsburg, Germany 32 : Mass Spec Interpretation Services, 3612 Hemlock Park Drive, Kingsport, TN, 37663, USA 33 : State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences (SKLECE, RCEES, CAS), No. 18 Shuangqing Road, Haidian District, Beijing, 100086, China 34 : Hope College, Holland, MI, 49422, USA 35 : University of California, Berkeley, CA, USA 36 : Agilent Technologies, Inc., 5301 Stevens Creek Blvd, Santa Clara, CA, 95051, USA 37 : Department of Chemistry, Center for Innovative Technology, Vanderbilt-Ingram Cancer Center, Vanderbilt Institute of Chemical Biology, Vanderbilt Institute for Integrative Biosystems Research and Education, Vanderbilt University, Nashville, TN, 37235, USA 38 : Institute for Risk Assessment Sciences (IRAS), Utrecht University, Utrecht, The Netherlands 39 : University Rovira i Virgili, Tarragona, Spain 40 : Biosfer Teslab, Reus, Spain 41 : Nutrition and Metabolism Branch, International Agency for Research On Cancer (IARC), 150 Cours Albert Thomas, 69372, Lyon Cedex 08, France 42 : RECETOX, Faculty of Science, Masaryk University, Kotlářská 2, Brno, Czech Republic 43 : Institute of Legal Medicine and Core Facility Metabolomics, Medical University of Innsbruck, Muellerstrasse 44, Innsbruck, Austria 44 : Technologies for Water Management and Treatment Research Group, Department of Civil Engineering, University of Granada, Campus de Fuentenueva S/N, 18071, Granada, Spain 45 : Institute of Health Research Pere Virgili, Tarragona, Spain 46 : Agriculture and Agri-Food Canada/Agriculture et Agroalimentaire Canada, 1391 Sandford Street, London, ON, N5V 4T3, Canada 47 : NILU, Norwegian Institute for Air Research, Kjeller, Norway 48 : Fraunhofer Institute for Molecular Biology and Applied Ecology (Fraunhofer IME), Schmallenberg, Germany 49 : Van’t Hoff Institute for Molecular Sciences, University of Amsterdam, P.O. Box 94157, Amsterdam, 1090 GD, The Netherlands 50 : Laboratory for Operation Control and Research, Zweckverband Landeswasserversorgung, Am Spitzigen Berg 1, 89129, Langenau, Germany 51 : Environment Agency, Horizon House, Deanery Road, Bristol, BS1 5AH, UK 52 : Chemical Contamination of Marine Ecosystems (CCEM) Unit, Institut Français de Recherche pour l’Exploitation de la Mer (IFREMER), Rue de l’Ile d’Yeu, BP 21105, 44311, Cedex 3, Nantes, France 53 : Section for Environmental Chemistry and Physics, Plant and Environmental Sciences, University of Copenhagen, Thorvaldsensvej 40, 1871, Frederiksberg C, Denmark 54 : Institute for Biodiversity and Ecosystem Dynamics, University of Amsterdam, Amsterdam, The Netherlands 55 : Technology and Society Laboratory, Empa-Swiss Federal Laboratories for Materials Science and Technology, Lerchenfeldstrasse 5, 9014, St. Gallen, Switzerland 56 : Computational Chemistry and Cheminformatics Branch (CCCB), Chemical Characterization and Exposure Division (CCED), Center for Computational Toxicology and Exposure (CCTE), United States Environmental Protection Agency, 109 T.W. Alexander Drive, Research Triangle Park, NC, 27711, USA 57 : Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, Maastricht, The Netherlands 58 : University of Alberta, Edmonton, AB, T6G 2G3, Canada |
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| Source | Environmental Sciences Europe (2190-4707) (Springer Science and Business Media LLC), 2022-12 , Vol. 34 , N. 1 , P. 104 (26p.) | ||||||||||||||||||||||||||||
| DOI | 10.1186/s12302-022-00680-6 | ||||||||||||||||||||||||||||
| WOS© Times Cited | 4 | ||||||||||||||||||||||||||||
| Keyword(s) | Suspect screening, High resolution mass spectrometry, Non-target screening, Open science, FAIR (Findable Accessible Interoperable Reusable) data, Data exchange, Cheminformatics, Exposomics, Environmental contaminants, Chemicals of emerging concern | ||||||||||||||||||||||||||||
| Abstract | 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/). |
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