1. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
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Mohammed Taha, Hiba, Aalizadeh, Reza, Alygizakis, Nikiforos, Antignac, Jean-Philippe, Arp, Hans Peter H, Bade, Richard, Baker, Nancy, Belova, Lidia, Bijlsma, Lubertus, Bolton, Evan E, Brack, Werner, Celma, Alberto, Chen, Wen-Ling, Cheng, Tiejun, Chirsir, Parviel, Čirka, Ľuboš, D'Agostino, Lisa A, Djoumbou Feunang, Yannick, Dulio, Valeria, Fischer, Stellan, Gago-Ferrero, Pablo, Galani, Aikaterini, Geueke, Birgit, Głowacka, Natalia, Glüge, Juliane, Groh, Ksenia, Grosse, Sylvia, Haglund, Peter, Hakkinen, Pertti J, Hale, Sarah E, Hernandez, Felix, Janssen, Elisabeth M-L, Jonkers, Tim, Kiefer, Karin, Kirchner, Michal, Koschorreck, Jan, Krauss, Martin, Krier, Jessy, Lamoree, Marja H, Letzel, Marion, Letzel, Thomas, Li, Qingliang, Little, James, Liu, Yanna, Lunderberg, David M, Martin, Jonathan W, McEachran, Andrew D, McLean, John A, Meier, Christiane, Meijer, Jeroen, Menger, Frank, Merino, Carla, Muncke, Jane, Muschket, Matthias, Neumann, Michael, Neveu, Vanessa, Ng, Kelsey, Oberacher, Herbert, O'Brien, Jake, Oswald, Peter, Oswaldova, Martina, Picache, Jaqueline A, Postigo, Cristina, Ramirez, Noelia, Reemtsma, Thorsten, Renaud, Justin, Rostkowski, Pawel, Rüdel, Heinz, Salek, Reza M, Samanipour, Saer, Scheringer, Martin, Schliebner, Ivo, Schulz, Wolfgang, Schulze, Tobias, Sengl, Manfred, Shoemaker, Benjamin A, Sims, Kerry, Singer, Heinz, Singh, Randolph R, Sumarah, Mark, Thiessen, Paul A, Thomas, Kevin V, Torres, Sonia, Trier, Xenia, van Wezel, Annemarie P, Vermeulen, Roel C H, Vlaanderen, Jelle J, von der Ohe, Peter C, Wang, Zhanyun, Williams, Antony J, Willighagen, Egon L, Wishart, David S, Zhang, Jian, Thomaidis, Nikolaos S, Hollender, Juliane, Slobodnik, Jaroslav, Schymanski, Emma L, IRAS OH Epidemiology Chemical Agents, Ministerio de Ciencia e Innovación (España), European Commission, E&H: Environmental Chemistry and Toxicology, AIMMS, Analytical Chemistry and Forensic Science (HIMS, FNWI), Freshwater and Marine Ecology (IBED, FNWI), Publica, IRAS OH Epidemiology Chemical Agents, Bioinformatica, and RS: NUTRIM - R1 - Obesity, diabetes and cardiovascular health
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High-resolution mass spectrometry ,Environmental sciences & ecology [F08] [Life sciences] ,EMERGING CONTAMINANTS ,STRATEGIES ,PHARMACEUTICALS ,DATABASE ,TRANSFORMATION PRODUCTS ,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 ,Bioinformatik och systembiologi ,CHEMICALS ,NONTARGET ,Biology ,Bioinformatics and Systems Biology ,Pollution ,POLYFLUOROALKYL SUBSTANCES ,Chemistry ,Sciences de l'environnement & écologie [F08] [Sciences du vivant] ,WASTE-WATER EFFLUENTS ,RISK-ASSESSMENT ,SDG 6 - Clean Water and Sanitation - Abstract
Background: The NORMAN Association (https:// www. norman-netwo rk. com/) initiated the NORMAN Suspect List Exchange (NORMAN-SLE; https:// www. norman-netwo rk. 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/ commu nities/ 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:// pubch em. ncbi. nlm. nih. gov/) and the US EPA’s CompTox Chemicals Dashboard (https:// compt ox. epa. gov/ dashb oard/), 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:// pubch em. ncbi. nlm. nih. gov/ class ifica tion/# 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-netwo rk. com/ nds/ SLE/)., NORMAN Association, Luxembourg National Research Fund A18/BM/12341006, European Union's Horizon 2020 research and innovation programme 101036756, National Center for Biotechnology Information of the National Library of Medicine (NLM), National Institutes of Health (NIH), National Health and Medical Research Council (NHMRC) of Australia EL1 2009209, Australian Research Council DP190102476 Queensland Department of Health, Instituto de Salud Carlos III European Commission CP19/00060 European Union through Fondo Europeo de Desarrollo Regional (FEDER), Federal Ministry of Education & Research (BMBF) FKz: 02WRS1495 A/B/E, FWO 11G1821N, NIH via grant NIH NIGMS R01GM092218 NIH via grant NIH NCI 1R03CA222452-01, Vanderbilt Chemical Biology Interface training program 5T32GM065086-16, Netherlands Organization for Scientific Research (NWO) 15747, SOLUTIONS project (European Union's Seventh Framework Programme for research, technological development and demonstration) 603437, HBM4EU (European Union's Horizon 2020 research and innovation programme 733032, German Research Foundation (DFG) 441958208, NaToxAq (European Union's Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie Grant 722493, German Federal Ministry for the Environment, Nature Conservation and Nuclear Safety (BMU) (FKZ) 3716 67 416 0, German Federal Ministry for the Environment, Nature Conservation, Nuclear Safety and Consumer Protection (BMUV) Project (FKZ) 3719 65 408 0, EU Cohesion Funds within the project Monitoring and assessment of water body status 310011A366, Swiss Federal Office for the Environment (FOEN), Canadian Institutes of Health Research (CIHR) Genome Canada, MAVA foundation, Valery Foundation, National Science Foundation (NSF) RUI-1306074 National Natural Science Foundation of China (NSFC) 22193051 21906177, China Postdoctoral Science Foundation 2019M650863, Environmental Protection Administration, Executive Yuan, R.O.C. Taiwan (Taiwan EPA) 108C002871, Swiss Federal Office for the Environment, United States Environmental Protection Agency, Center for Forestry Research & Experimentation (CIEF), European Commission 2019/040, Marie Sklodowska-Curie grant 859891 European Commission European Commission Joint Research Centre 308610 289511, Joint Programming Initiative FOODBALL 2014-17 MCIN/AEI RYC2020-028901-I, ESF investing in your future, August T Larsson Guest Researcher Programme from the Swedish University of Agricultural Sciences, German Federal Ministry of Education and Research within the RiSKWa program 02WRS1273 02WRS1354, RECETOX research infrastructure (the Czech Ministry of Education, Youth and Sports) LM2018121, CETOCOEN PLUS project CZ.02.1.01/0.0/0.0/15_ 003/0000469 CETOCOEN EXCELLENCE Teaming 2 project - Czech ministry of Education, Youth and Sports CZ.02.1.01/0.0/0.0/1 7_043/0009632
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- 2022