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306 results on '"Rüdel, Heinz"'

1. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

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, and Schymanski, Emma L.

Published
2022
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2. Using environmental monitoring data from apex predators for chemicals management: towards better use of monitoring data from apex predators in support of prioritisation and risk assessment of chemicals in Europe

Author

Treu, Gabriele, Slobodnik, Jaroslav, Alygizakis, Nikiforos, Badry, Alexander, Bunke, Dirk, Cincinelli, Alessandra, Claßen, Daniela, Dekker, Rene W. R. J., Göckener, Bernd, Gkotsis, Georgios, Hanke, Georg, Duke, Guy, Jartun, Morten, Movalli, Paola, Nika, Maria-Christina, Rüdel, Heinz, Tarazona, Jose V., Thomaidis, Nikolaos S., Tornero, Victoria, Vorkamp, Katrin, Walker, Lee A., Koschorreck, Jan, and Dulio, Valeria

Published
2022
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3. Using environmental monitoring data from apex predators for chemicals management: towards harmonised sampling and processing of archived wildlife samples to increase the regulatory uptake of monitoring data in chemicals management

Author

Badry, Alexander, Slobodnik, Jaroslav, Alygizakis, Nikiforos, Bunke, Dirk, Cincinelli, Alessandra, Claßen, Daniela, Dekker, Rene W. R. J., Duke, Guy, Dulio, Valeria, Göckener, Bernd, Gkotsis, Georgios, Hanke, Georg, Jartun, Morten, Movalli, Paola, Nika, Maria-Christina, Rüdel, Heinz, Thomaidis, Nikolaos S., Tarazona, Jose V., Tornero, Victoria, Treu, Gabriele, Vorkamp, Katrin, Walker, Lee A., and Koschorreck, Jan

Published
2022
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4. Evaluating the reliability of environmental concentration data to characterize exposure in environmental risk assessments

Author

Hladik, Michelle L., Markus, Arjen, Helsel, Dennis, Nowell, Lisa H., Polesello, Stefano, Rüdel, Heinz, Szabo, Drew, Wilson, Iain, Hladik, Michelle L., Markus, Arjen, Helsel, Dennis, Nowell, Lisa H., Polesello, Stefano, Rüdel, Heinz, Szabo, Drew, and Wilson, Iain

Abstract

Environmental risk assessments often rely on measured concentrations in environmental matrices to characterize exposure of the population of interest—typically, humans, aquatic biota, or other wildlife. Yet, there is limited guidance available on how to report and evaluate exposure datasets for reliability and relevance, despite their importance to regulatory decision-making. This paper is the second of a four-paper series detailing the outcomes of a Society of Environmental Toxicology and Chemistry Technical Workshop that has developed Criteria for Reporting and Evaluating Exposure Datasets (CREED). It presents specific criteria to systematically evaluate the reliability of environmental exposure datasets. These criteria can help risk assessors understand and characterize uncertainties when existing data are used in various types of assessments and can serve as guidance on best practice for the reporting of data for data generators (to maximize utility of their datasets). Although most reliability criteria are universal, some practices may need to be evaluated considering the purpose of the assessment. Reliability refers to the inherent quality of the dataset and evaluation criteria address the identification of analytes, study sites, environmental matrices, sampling dates, sample collection methods, analytical method performance, data handling or aggregation, treatment of censored data, and generation of summary statistics. Each criterion is evaluated as “fully met,” “partly met,” “not met or inappropriate,” “not reported,” or “not applicable” for the dataset being reviewed. The evaluation concludes with a scheme for scoring the dataset as reliable with or without restrictions, not reliable, or not assignable, and is demonstrated with three case studies representing both organic and inorganic constituents, and different study designs and assessment purposes. Reliability evaluation can be used in conjunction with relevance evaluation (assessed separately) to determ

Published
2024
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9. Contributors

Author

Basu, Bidroha, primary, Bond, Alexander L., additional, Chaplow, Jacqueline S., additional, Cornelis, Geert, additional, Diamond, Dermot, additional, Donohoe, Andrew, additional, Gallego-Urrea, Julian A., additional, Gharbia, Salem, additional, Gondikas, Andreas, additional, Katsikouli, Panagiota, additional, Koschorreck, Jan, additional, Markham, Lee, additional, Mattsson, Karin, additional, McCaul, Margaret, additional, Montaño, Manuel, additional, Pilla, Francesco, additional, Rüdel, Heinz, additional, Schaaf, Katinka, additional, Shore, Richard F., additional, Tuoriniemi, Jani, additional, Wagner, Stephan, additional, and Wilkinson, John, additional

Published
2021
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11. What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS

Author

Dürig, Wiebke, primary, Lindblad, Sofia, additional, Golovko, Oksana, additional, Gkotsis, Georgios, additional, Aalizadeh, Reza, additional, Nika, Maria-Christina, additional, Thomaidis, Nikolaos, additional, Alygizakis, Nikiforos A., additional, Plassmann, Merle, additional, Haglund, Peter, additional, Fu, Qiuguo, additional, Hollender, Juliane, additional, Chaker, Jade, additional, David, Arthur, additional, Kunkel, Uwe, additional, Macherius, André, additional, Belova, Lidia, additional, Poma, Giulia, additional, Preud'Homme, Hugues, additional, Munschy, Catherine, additional, Aminot, Yann, additional, Jaeger, Carsten, additional, Lisec, Jan, additional, Hansen, Martin, additional, Vorkamp, Katrin, additional, Zhu, Linyan, additional, Cappelli, Francesca, additional, Roscioli, Claudio, additional, Valsecchi, Sara, additional, Bagnati, Renzo, additional, González, Belén, additional, Prieto, Ailette, additional, Zuloaga, Olatz, additional, Gil-Solsona, Ruben, additional, Gago-Ferrero, Pablo, additional, Rodriguez-Mozaz, Sara, additional, Budzinski, Hélène, additional, Devier, Marie-Helene, additional, Dierkes, Georg, additional, Boulard, Lise, additional, Jacobs, Griet, additional, Voorspoels, Stefan, additional, Rüdel, Heinz, additional, and Ahrens, Lutz, additional

Published
2023
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12. Progress on bringing together raptor collections in Europe for contaminant research and monitoring in relation to chemicals regulation

Author

Movalli, Paola, Duke, Guy, Ramello, Gloria, Dekker, René, Vrezec, Al, Shore, Richard F., García-Fernández, Antonio, Wernham, Chris, Krone, Oliver, Alygizakis, Nikiforos, Badry, Alexander, Barbagli, Fausto, Biesmeijer, Koos, Boano, Giovanni, Bond, Alexander L., Choresh, Yael, Christensen, Jan Bolding, Cincinelli, Alessandra, Danielsson, Sara, Dias, Andreia, Dietz, Rune, Eens, Marcel, Espín, Silvia, Eulaers, Igor, Frahnert, Sylke, Fuiz, Tibor I., Gkotsis, Georgios, Glowacka, Natalia, Gómez-Ramírez, Pilar, Grotti, Marco, Guiraud, Michel, Hosner, Peter, Johansson, Ulf, Jaspers, Veerle L.B., Kamminga, Pepijn, Koschorreck, Jan, Knopf, Burkhard, Kubin, Eero, LoBrutto, Sabrina, Lourenco, Rui, Martellini, Tania, Martínez-López, Emma, Mateo, Rafael, Nika, Maria-Christina, Nikolopoulou, Varvara, Osborn, Dan, Pauwels, Olivier, Pavia, Marco, Pereira, M. Glória, Rüdel, Heinz, Sanchez-Virosta, Pablo, Slobodnik, Jaroslav, Sonne, Christian, Thomaidis, Nikolaos, Töpfer, Till, Treu, Gabriele, Väinölä, Risto, Valkama, Jari, van der Mije, Steven, Vangeluwe, Didier, Warren, Ben H., and Woog, Friederike

Published
2019
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14. Quantification and characterization of PFASs in suspended particulate matter (SPM) of German rivers using EOF, dTOPA, (non-)target HRMS

Author

Simon, Fabian, primary, Gehrenkemper, Lennart, additional, Becher, Susanne, additional, Dierkes, Georg, additional, Langhammer, Nicole, additional, Cossmer, Antje, additional, von der Au, Marcus, additional, Göckener, Bernd, additional, Fliedner, Annette, additional, Rüdel, Heinz, additional, Koschorreck, Jan, additional, and Meermann, Björn, additional

Published
2023
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21. Tracking down unknown PFAS pollution - The direct TOP assay in spatial monitoring of surface waters in Germany

Author

Göckener, Bernd, Fliedner, Annette, Weinfurtner, Karlheinz, Rüdel, Heinz, Badry, Alexander, Koschorreck, Jan, and Publica

Subjects
dTOP assay, Per- and polyfluoroalkyl substances, Sediment, Suspended particulate matter, Spatial data
Abstract

PFAS contamination of surface waters in central Europe was investigated in a spatial monitoring using suspended particulate matter and sediment samples. The samples were collected in 2021 at 171 sampling sites in Germany and at five sites in Dutch waters. All samples were analyzed for 41 different PFAS by target analysis to establish a baseline for these compounds. In addition, a sum parameter approach (direct Total Oxidizable Precursor (dTOP) assay) was used to investigate the PFAS load in the samples more comprehensively. PFAS pollution varied widely between water bodies. Target analysis detected ∑PFAS concentrations between

Published
2023

22. Correction to: Progress on bringing together raptor collections in Europe for contaminant research and monitoring in relation to chemicals regulation

Author

Movalli, Paola, Duke, Guy, Ramello, Gloria, Dekker, René, Vrezec, Al, Shore, Richard F., García-Fernández, Antonio, Wernham, Chris, Krone, Oliver, Alygizakis, Nikiforos, Badry, Alexander, Barbagli, Fausto, Biesmeijer, Koos, Boano, Giovanni, Bond, Alexander L., Choresh, Yael, Christensen, Jan Bolding, Cincinelli, Alessandra, Danielsson, Sara, Dias, Andreia, Dietz, Rune, Eens, Marcel, Espín, Silvia, Eulaers, Igor, Frahnert, Sylke, Fuiz, Tibor I., Gkotsis, Georgios, Glowacka, Natalia, Gómez-Ramírez, Pilar, Grotti, Marco, Guiraud, Michel, Hosner, Peter, Johansson, Ulf, Jaspers, Veerle L.B., Kamminga, Pepijn, Koschorreck, Jan, Knopf, Burkhard, Kubin, Eero, Brutto, Sabrina Lo, Lourenco, Rui, Martellini, Tania, Martínez-López, Emma, Mateo, Rafael, Nika, Maria-Christina, Nikolopoulou, Varvara, Osborn, Dan, Pauwels, Olivier, Pavia, Marco, Pereira, M. Glória, Rüdel, Heinz, Sanchez-Virosta, Pablo, Slobodnik, Jaroslav, Sonne, Christian, Thomaidis, Nikolaos, Töpfer, Till, Treu, Gabriele, Väinölä, Risto, Valkama, Jari, van der Mije, Steven, Vangeluwe, Didier, Warren, Ben H., and Woog, Friederike

Published
2019
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24. What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS

Author

Dürig, Wiebke, Lindblad, Sofia, Golovko, Oksana, Gkotsis, Georgios, Aalizadeh, Reza, Nika, Maria-Christina, Thomaidis, Nikolaos, Alygizakis, Nikiforos A., Plassmann, Merle, Haglund, Peter, Fu, Qiuguo, Hollender, Juliane, Chaker, Jade, David, Arthur, Kunkel, Uwe, Macherius, André, Belova, Lidia, Poma, Giulia, Preud'Homme, Hugues, Munschy, Catherine, Aminot, Yann, Jaeger, Carsten, Lisec, Jan, Hansen, Martin, Vorkamp, Katrin, Zhu, Linyan, Cappelli, Francesca, Roscioli, Claudio, Valsecchi, Sara, Bagnati, Renzo, González, Belén, Prieto, Ailette, Zuloaga, Olatz, Gil-Solsona, Ruben, Gago-Ferrero, Pablo, Rodriguez-Mozaz, Sara, Budzinski, Hélène, Devier, Marie-Helene, Dierkes, Georg, Boulard, Lise, Jacobs, Griet, Voorspoels, Stefan, Rüdel, Heinz, Ahrens, Lutz, Dürig, Wiebke, Lindblad, Sofia, Golovko, Oksana, Gkotsis, Georgios, Aalizadeh, Reza, Nika, Maria-Christina, Thomaidis, Nikolaos, Alygizakis, Nikiforos A., Plassmann, Merle, Haglund, Peter, Fu, Qiuguo, Hollender, Juliane, Chaker, Jade, David, Arthur, Kunkel, Uwe, Macherius, André, Belova, Lidia, Poma, Giulia, Preud'Homme, Hugues, Munschy, Catherine, Aminot, Yann, Jaeger, Carsten, Lisec, Jan, Hansen, Martin, Vorkamp, Katrin, Zhu, Linyan, Cappelli, Francesca, Roscioli, Claudio, Valsecchi, Sara, Bagnati, Renzo, González, Belén, Prieto, Ailette, Zuloaga, Olatz, Gil-Solsona, Ruben, Gago-Ferrero, Pablo, Rodriguez-Mozaz, Sara, Budzinski, Hélène, Devier, Marie-Helene, Dierkes, Georg, Boulard, Lise, Jacobs, Griet, Voorspoels, Stefan, Rüdel, Heinz, and Ahrens, Lutz

Abstract

A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, homogenised fish samples from a contaminated and a reference site, extracts (spiked and non-spiked) and reference sample preparation protocols for liquid chromatography (LC) and gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS). Participants extracted fish samples using their in-house sample preparation method and/or the protocol provided. Participants correctly identified 9–69 % of spiked compounds using LC-HRMS and 20–60 % of spiked compounds using GC-HRMS. From the contaminated site, suspect screening with participants’ own suspect lists led to putative identification of on average ∼145 and ∼20 unique features per participant using LC-HRMS and GC-HRMS, respectively, while non-target screening identified on average ∼42 and ∼56 unique features per participant using LC-HRMS and GC-HRMS, respectively. Within the same sub-group of sample preparation method, only a few features were identified by at least two participants in suspect screening (16 features using LC-HRMS, 0 features using GC-HRMS) and non-target screening (0 features using LC-HRMS, 2 features using GC-HRMS). The compounds identified had log octanol/water partition coefficient (KOW) values from −9.9 to 16 and mass-to-charge ratios (m/z) of 68 to 761 (LC-HRMS and GC-HRMS). A significant linear trend was found between log KOW and m/z for the GC-HRMS data. Overall, these findings indicate that differences in screening results are mainly due to the data analysis workflows used by different participants. Further work is needed to harmonise the results obtained when applying suspect and non-target screening approaches to environmental biota samples.

Published
2023
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25. What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS

Author

0000-0002-8842-9340, 0000-0001-9167-9060, 0000-0003-0050-8923, 0000-0002-4624-4735, 0000-0002-4660-274X, 0000-0001-8189-1826, 0000-0003-1229-511X, 0000-0003-0597-2653, 0000-0002-6507-9261, 0000-0003-2192-1792, 0000-0003-1220-2286, 0000-0002-4663-8742, 0000-0002-1131-5687, 0000-0002-0857-4143, 0000-0003-2200-3475, 0000-0003-1497-9486, 0000-0003-2962-8144, 0000-0002-1796-1823, 0000-0002-4175-4787, 0000-0002-5430-6764, Dürig, Wiebke, Lindblad, Sofia, Golovko, Oksana, Gkotsis, Georgios, Aalizadeh, Reza, Nika, Maria-Christina, Thomaidis, Nikolaos, Alygizakis, Nikiforos A., Plassmann, Merle, Haglund, Peter, Fu, Qiuguo, Hollender, Juliane, Chaker, Jade, David, Arthur, Kunkel, Uwe, Macherius, André, Belova, Lidia, Poma, Giulia, Preud'Homme, Hugues, Munschy, Catherine, Aminot, Yann, Jaeger, Carsten, Lisec, Jan, Hansen, Martin, Vorkamp, Katrin, Zhu, Linyan, Cappelli, Francesca, Roscioli, Claudio, Valsecchi, Sara, Bagnati, Renzo, González, Belén, Prieto, Ailette, Zuloaga, Olatz, Gil-Solsona, Ruben, Gago-Ferrero, Pablo, Rodriguez-Mozaz, Sara, Budzinski, Hélène, Devier, Marie-Helene, Dierkes, Georg, Boulard, Lise, Jacobs, Griet, Voorspoels, Stefan, Rüdel, Heinz, Ahrens, Lutz, 0000-0002-8842-9340, 0000-0001-9167-9060, 0000-0003-0050-8923, 0000-0002-4624-4735, 0000-0002-4660-274X, 0000-0001-8189-1826, 0000-0003-1229-511X, 0000-0003-0597-2653, 0000-0002-6507-9261, 0000-0003-2192-1792, 0000-0003-1220-2286, 0000-0002-4663-8742, 0000-0002-1131-5687, 0000-0002-0857-4143, 0000-0003-2200-3475, 0000-0003-1497-9486, 0000-0003-2962-8144, 0000-0002-1796-1823, 0000-0002-4175-4787, 0000-0002-5430-6764, Dürig, Wiebke, Lindblad, Sofia, Golovko, Oksana, Gkotsis, Georgios, Aalizadeh, Reza, Nika, Maria-Christina, Thomaidis, Nikolaos, Alygizakis, Nikiforos A., Plassmann, Merle, Haglund, Peter, Fu, Qiuguo, Hollender, Juliane, Chaker, Jade, David, Arthur, Kunkel, Uwe, Macherius, André, Belova, Lidia, Poma, Giulia, Preud'Homme, Hugues, Munschy, Catherine, Aminot, Yann, Jaeger, Carsten, Lisec, Jan, Hansen, Martin, Vorkamp, Katrin, Zhu, Linyan, Cappelli, Francesca, Roscioli, Claudio, Valsecchi, Sara, Bagnati, Renzo, González, Belén, Prieto, Ailette, Zuloaga, Olatz, Gil-Solsona, Ruben, Gago-Ferrero, Pablo, Rodriguez-Mozaz, Sara, Budzinski, Hélène, Devier, Marie-Helene, Dierkes, Georg, Boulard, Lise, Jacobs, Griet, Voorspoels, Stefan, Rüdel, Heinz, and Ahrens, Lutz

Abstract

A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, homogenised fish samples from a contaminated and a reference site, extracts (spiked and non-spiked) and reference sample preparation protocols for liquid chromatography (LC) and gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS). Participants extracted fish samples using their in-house sample preparation method and/or the protocol provided. Participants correctly identified 9-69 % of spiked compounds using LC-HRMS and 20-60 % of spiked compounds using GC-HRMS. From the contaminated site, suspect screening with participants' own suspect lists led to putative identification of on average ∼145 and ∼20 unique features per participant using LC-HRMS and GC-HRMS, respectively, while non-target screening identified on average ∼42 and ∼56 unique features per participant using LC-HRMS and GC-HRMS, respectively. Within the same sub-group of sample preparation method, only a few features were identified by at least two participants in suspect screening (16 features using LC-HRMS, 0 features using GC-HRMS) and non-target screening (0 features using LC-HRMS, 2 features using GC-HRMS). The compounds identified had log octanol/water partition coefficient (KOW) values from -9.9 to 16 and mass-to-charge ratios (m/z) of 68 to 761 (LC-HRMS and GC-HRMS). A significant linear trend was found between log KOW and m/z for the GC-HRMS data. Overall, these findings indicate that differences in screening results are mainly due to the data analysis workflows used by different participants. Further work is needed to harmonise the results obtained when applying suspect and non-target screening approaches to environmental biota samples.

Published
2023

26. What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS

Author

Química analítica, Kimika analitikoa, Dürig, Wiebke, Lindblad, Sofia, Golovko, Oksana, Gkotsis, Georgios, Aalizadeh, Reza, Nika, Maria-Cristina, Thomaidis, Nikolaos, Alygizakis, Nikiforos A., Plassmann, Merle, Haglund, Peter, Fu, Qiuguo, Hollender, Juliane, Chaker, Jade, David, Arthur, Kunkel, Uwe, Macherius, André, Belova, Lidia, Poma, Giulia, Preud'Homme, Hugues, Munschy, Catherine, Aminot, Yann, Jaeger, Carsten, Lisec, Jan, Hansen, Martin, Vorkamp, Katrin, Zhu, Linyan, Capelli, Francesca, Roscioli, Caludio, Valsecchi, Sara, Baagnati, Renzo, González Gaya, Belén, Prieto Sobrino, Ailette, Zuloaga Zubieta, Olatz, Gil Solsona, Rubén, Gago Ferrero, Pablo, Rodríguez Mozaz, Sara, Budzinski, Hélène, Devier, Marie-Helene, Dierkers, Georg, Boulard, Lise, Jacobs, Griet, Voorspoels, Stefan, Rüdel, Heinz, Ahrens, Lutz, Química analítica, Kimika analitikoa, Dürig, Wiebke, Lindblad, Sofia, Golovko, Oksana, Gkotsis, Georgios, Aalizadeh, Reza, Nika, Maria-Cristina, Thomaidis, Nikolaos, Alygizakis, Nikiforos A., Plassmann, Merle, Haglund, Peter, Fu, Qiuguo, Hollender, Juliane, Chaker, Jade, David, Arthur, Kunkel, Uwe, Macherius, André, Belova, Lidia, Poma, Giulia, Preud'Homme, Hugues, Munschy, Catherine, Aminot, Yann, Jaeger, Carsten, Lisec, Jan, Hansen, Martin, Vorkamp, Katrin, Zhu, Linyan, Capelli, Francesca, Roscioli, Caludio, Valsecchi, Sara, Baagnati, Renzo, González Gaya, Belén, Prieto Sobrino, Ailette, Zuloaga Zubieta, Olatz, Gil Solsona, Rubén, Gago Ferrero, Pablo, Rodríguez Mozaz, Sara, Budzinski, Hélène, Devier, Marie-Helene, Dierkers, Georg, Boulard, Lise, Jacobs, Griet, Voorspoels, Stefan, Rüdel, Heinz, and Ahrens, Lutz

Abstract

A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, homogenised fish samples from a contaminated and a reference site, extracts (spiked and non-spiked) and reference sample preparation protocols for liquid chromatography (LC) and gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS). Participants extracted fish samples using their in-house sample preparation method and/or the protocol provided. Participants correctly identified 9–69 % of spiked compounds using LC-HRMS and 20–60 % of spiked compounds using GC-HRMS. From the contaminated site, suspect screening with participants’ own suspect lists led to putative identification of on average ~145 and ~20 unique features per participant using LC-HRMS and GC-HRMS, respectively, while non-target screening identified on average ~42 and ~56 unique features per participant using LC-HRMS and GC-HRMS, respectively. Within the same sub-group of sample preparation method, only a few features were identified by at least two participants in suspect screening (16 features using LC-HRMS, 0 features using GC-HRMS) and non-target screening (0 features using LC-HRMS, 2 features using GC-HRMS). The compounds identified had log octanol/water partition coefficient (KOW) values from − 9.9 to 16 and mass-to-charge ratios (m/z) of 68 to 761 (LC-HRMS and GC-HRMS). A significant linear trend was found between log KOW and m/z for the GC-HRMS data. Overall, these findings indicate that differences in screening results are mainly due to the data analysis workflows used by different participants. Further work is needed to harmonise the results obtained when applying suspect and non-target screening approaches to environmental biota samples.

Published
2023

27. Making use of apex predator sample collections: an integrated workflow for quality assured sample processing, analysis and digital sample freezing of archived samples

Author

Badry, Alexander, primary, Rüdel, Heinz, additional, Göckener, Bernd, additional, Nika, Maria-Christina, additional, Alygizakis, Nikiforos, additional, Gkotsis, Georgios, additional, Thomaidis, Nikolaos S., additional, Treu, Gabriele, additional, Dekker, Rene W.R.J., additional, Movalli, Paola, additional, Walker, Lee A., additional, Potter, Elaine D., additional, Cincinelli, Alessandra, additional, Martellini, Tania, additional, Duke, Guy, additional, Slobodnik, Jaroslav, additional, and Koschorreck, Jan, additional

Published
2022
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30. The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and Worldwide Collaboration on Suspect Screening in High Resolution Mass Spectrometry

Author

Taha, Hiba Mohammed, primary, Aalizadeh, Reza, additional, Alygizakis, Nikiforos, additional, Antignac, Jean-Philippe, additional, Arp, Hans Peter H., additional, Bade, Richard, additional, Baker, Nancy, additional, Belova, Lidia, additional, Bijlsma, Lubertus, additional, Bolton, Evan E., additional, Brack, Werner, additional, Celma, Alberto, additional, Chen, Wen-Ling, additional, Cheng, Tiejun, additional, Chirsir, Parviel, additional, Čirka, Ľuboš, additional, D’Agostino, Lisa, additional, Feunang, Yannick Djoumbou, additional, Dulio, Valeria, additional, Fischer, Stellan, additional, Gago-Ferrero, Pablo, additional, Galani, Aikaterini, additional, Geueke, Birgit, additional, Głowacka, Natalia, additional, Glüge, Juliane, additional, Groh, Ksenia, additional, Grosse, Sylvia, additional, Haglund, Peter, additional, Hakkinen, Pertti J., additional, Hale, Sarah E., additional, Hernández, Félix, additional, Janssen, Elisabeth M.-L., additional, Jonkers, Tim, additional, Kiefer, Karin, additional, Kirchner, Michal, additional, Koschorreck, Jan, additional, Krauss, Martin, additional, Krier, Jessy, additional, Lamoree, Marja H., additional, Letzel, Marion, additional, Letzel, Thomas, additional, Li, Qingliang, additional, Little, James, additional, Liu, Yanna, additional, Lunderberg, David M., additional, Martin, Jonathan W., additional, McEachran, Andrew D., additional, McLean, John A., additional, Meier, Christiane, additional, Meijer, Jeroen, additional, Menger, Frank, additional, Merino, Carla, additional, Muncke, Jane, additional, Muschket, Matthias, additional, Neumann, Michael, additional, Neveu, Vanessa, additional, Ng, Kelsey, additional, Oberacher, Herbert, additional, O'Brien, Jake, additional, Oswald, Peter, additional, Oswaldova, Martina, additional, Picache, Jaqueline A., additional, Postigo, Cristina, additional, Ramírez, Noelia, additional, Reemtsma, Thorsten, additional, Renaud, Justin, additional, Rostkowski, Pawel, additional, Rüdel, Heinz, additional, Salek, Reza, additional, Samanipour, Saer, additional, Scheringer, Martin, additional, Schliebner, Ivo, additional, Schulz, Wolfgang, additional, Schulze, Tobias, additional, Sengl, Manfred, additional, Shoemaker, Benjamin A., additional, Sims, Kerry, additional, Singer, Heinz, additional, Singh, Randolph R., additional, Sumarah, Mark, additional, Thiessen, Paul A., additional, Thomas, Kevin V., additional, Torres, Sonia, additional, Trier, Xenia, additional, Wezel, Annemarie P. van, additional, Vermeulen, Roel C. H., additional, Vlaanderen, Jelle J., additional, Ohe, Peter C. von der, additional, Wang, Zhanyun, additional, Williams, Antony J., additional, Willighagen, Egon L., additional, Wishart, David S., additional, Zhang, Jian, additional, Thomaidis, Nikolaos S., additional, Hollender, Juliane, additional, Slobodnik, Jaroslav, additional, and Schymanski, Emma L., additional

Published
2022
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33. The NORMAN Suspect List Exchange (NORMAN-SLE) : facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

Taha, Hiba Mohammed, 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., Feunang, Yannick Djoumbou, 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., Taha, Hiba Mohammed, 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., Feunang, Yannick Djoumbou, 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, and Schymanski, Emma L.

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

Published
2022
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34. Identifying emerging environmental concerns from long-chain chlorinated paraffins towards German ecosystems

Author

Yuan, Bo, Rüdel, Heinz, de Wit, Cynthia A., Koschorreck, Jan, Yuan, Bo, Rüdel, Heinz, de Wit, Cynthia A., and Koschorreck, Jan

Abstract

Germany is one of several major European producers of chlorinated paraffins (CPs). This study showed that not only the legacy short-chain products (SCCPs, C10-13), but also the current-use medium- and long-chain products (MCCPs, C14-17; LCCPs, C 17) as well as the very-short-chain impurities (vSCCPs, C<10) are ubiquitous in the 72 samples collected from the coastal, terrestrial, and freshwater ecosystems across the country. The concentrations of LCCPs surpassed those of the other CPs in 40% of the biota samples. Archived bream samples collected downstream of a CP-manufacturing factory showed decreasing temporal trends of (v)SCCPs and relatively constant levels of MCCPs from 1995 to 2019; however, the overall levels of LCCPs have increased by 290%, reflecting the impact of chemical regulation policies on changes in CP production. A visualization algorithm was developed for integrating CP results from various matrices to illustrate spatial tendencies of CP pollution. Higher levels of (v)SCCPs were indicated in the former West Germany region, while MCCP and LCCP concentrations did not seem to differ between former East and West Germany, suggesting relatively equal production and use of these chemicals after the German Reunification. The results provide an early warning signal of environmental concerns from LCCPs on the eve of their booming global production and use.

Published
2022
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35. The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

IRAS OH Epidemiology Chemical Agents, 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, 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, and Schymanski, Emma L

Published
2022

36. Making use of apex predator sample collections: an integrated workflow for quality assured sample processing, analysis and digital sample freezing of archived samples

Author

Badry, Alexander, Rüdel, Heinz, Göckener, Bernd, Nika, Maria-Christina, Alygizakis, Nikiforos, Gkotsis, Georgios, Thomaidis, Nikolaos S., Treu, Gabriele, Dekker, Rene W.R.J., Movalli, Paola, Walker, Lee A., Potter, Elaine D., Cincinelli, Alessandra, Martellini, Tania, Duke, Guy, Slobodnik, Jaroslav, Koschorreck, Jan, Badry, Alexander, Rüdel, Heinz, Göckener, Bernd, Nika, Maria-Christina, Alygizakis, Nikiforos, Gkotsis, Georgios, Thomaidis, Nikolaos S., Treu, Gabriele, Dekker, Rene W.R.J., Movalli, Paola, Walker, Lee A., Potter, Elaine D., Cincinelli, Alessandra, Martellini, Tania, Duke, Guy, Slobodnik, Jaroslav, and Koschorreck, Jan

Abstract

Using monitoring data from apex predators for chemicals risk assessment can provide important information on bioaccumulating as well as biomagnifying chemicals in food webs. A survey among European institutions involved in chemical risk assessment on their experiences with apex predator data in chemical risk assessment revealed great interest in using such data. However, the respondents indicated that constraints were related to expected high costs, lack of standardisation and harmonised quality criteria for exposure assessment, data access, and regulatory acceptance/application. During the Life APEX project, we demonstrated that European sample collections (i.e. environmental specimen banks (ESBs), research collection (RCs), natural history museums (NHMs)) archive a large variety of biological samples that can be readily used for chemical analysis once appropriate quality assurance/control (QA/QC) measures have been developed and implemented. We therefore issued a second survey on sampling, processing and archiving procedures in European sample collections to derive key quality QA/QC criteria for chemical analysis. The survey revealed great differences in QA/QC measures between ESBs, NHMs and RCs. Whereas basic information such as sampling location, date and biometric data were mostly available across institutions, protocols to accompany the sampling strategy with respect to chemical analysis were only available for ESBs. For RCs, the applied QA/QC measures vary with the respective research question, whereas NHMs are generally less aware of e.g. chemical cross-contamination issues. Based on the survey we derived key indicators for assessing the quality of biota samples that can be easily implemented in online databases. Furthermore, we provide a QA/QC workflow not only for sampling and processing but also for the chemical analysis of biota samples. We focussed on comprehensive analytical techniques such as non-target screening and provided insights into subsequent

Published
2022

37. The NORMAN Suspect List Exchange (NORMAN-SLE):facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

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., 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, and Schymanski, Emma L.

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.

Published
2022

38. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

Ministerio de Ciencia e Innovación (España), European Commission, 0000-0001-7820-4335, 0000-0001-9167-9060, 0000-0002-5727-4999, 0000-0001-9512-9314, 0000-0002-0747-8838, 0000-0003-2724-9183, 0000-0002-8351-9435, 0000-0001-7147-384X, 0000-0001-7005-8775, 0000-0002-5959-6190, 0000-0001-9269-6524, 0000-0001-9763-8737, 0000-0001-5143-0543, 0000-0002-4486-3356, 0000-0002-9932-8609, 0000-0001-9351-6855, 0000-0002-9734-324X, 0000-0001-7850-184X, 0000-0002-9436-9954, 0000-0002-5987-0399, 0000-0003-1112-6867, 0000-0002-0749-3982, 0000-0002-1740-9422, 0000-0003-1997-2750, 0000-0002-3778-4721, 0000-0003-2293-7913, 0000-0002-8295-9738, 0000-0002-7743-9199, 0000-0003-1268-3083, 0000-0002-5475-6730, 0000-0002-6415-6173, 0000-0002-6917-3431, 0000-0002-1043-3278, 0000-0002-0362-4244, 0000-0001-6986-5545, 0000-0002-7373-7738, 0000-0003-1008-8790, 0000-0002-6453-236X, 0000-0001-7893-9876, 0000-0002-4439-9194, 0000-0001-6265-4294, 0000-0003-1423-330X, 0000-0001-8918-6419, 0000-0003-3126-5186, 0000-0002-4551-6823, 0000-0002-1808-8835, 0000-0002-8793-5516, 0000-0002-6942-0594, 0000-0001-6672-8414, 0000-0002-2558-4431, 0000-0002-8501-7789, 0000-0003-2396-2993, 0000-0002-0963-8268, 0000-0001-9336-9656, 0000-0003-3088-9771, 0000-0002-1948-9243, 0000-0002-7344-7044, 0000-0002-9251-0790, 0000-0003-1606-0764, 0000-0001-6974-0224, 0000-0001-9778-4283, 0000-0002-4175-4787, 0000-0001-8604-1732, 0000-0001-8270-6979, 0000-0002-0809-7826, 0000-0002-1553-3868, 0000-0002-9744-8914, 0000-0002-1356-285X, 0000-0001-6273-4083, 0000-0002-8542-3699, 0000-0003-4500-3400, 0000-0003-0977-1656, 0000-0002-1992-2086, 0000-0002-2155-100X, 0000-0001-8881-0793, 0000-0001-6067-8321, 0000-0002-6875-957X, 0000-0003-4082-8163, 0000-0001-7350-8962, 0000-0001-9914-7659, 0000-0002-2668-4821, 0000-0001-7542-0286, 0000-0002-3207-2434, 0000-0002-6192-4632, 0000-0002-4624-4735, 0000-0002-4660-274X, 0000-0003-2622-6318, 0000-0001-6868-8145, 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, Ramírez, 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., Ministerio de Ciencia e Innovación (España), European Commission, 0000-0001-7820-4335, 0000-0001-9167-9060, 0000-0002-5727-4999, 0000-0001-9512-9314, 0000-0002-0747-8838, 0000-0003-2724-9183, 0000-0002-8351-9435, 0000-0001-7147-384X, 0000-0001-7005-8775, 0000-0002-5959-6190, 0000-0001-9269-6524, 0000-0001-9763-8737, 0000-0001-5143-0543, 0000-0002-4486-3356, 0000-0002-9932-8609, 0000-0001-9351-6855, 0000-0002-9734-324X, 0000-0001-7850-184X, 0000-0002-9436-9954, 0000-0002-5987-0399, 0000-0003-1112-6867, 0000-0002-0749-3982, 0000-0002-1740-9422, 0000-0003-1997-2750, 0000-0002-3778-4721, 0000-0003-2293-7913, 0000-0002-8295-9738, 0000-0002-7743-9199, 0000-0003-1268-3083, 0000-0002-5475-6730, 0000-0002-6415-6173, 0000-0002-6917-3431, 0000-0002-1043-3278, 0000-0002-0362-4244, 0000-0001-6986-5545, 0000-0002-7373-7738, 0000-0003-1008-8790, 0000-0002-6453-236X, 0000-0001-7893-9876, 0000-0002-4439-9194, 0000-0001-6265-4294, 0000-0003-1423-330X, 0000-0001-8918-6419, 0000-0003-3126-5186, 0000-0002-4551-6823, 0000-0002-1808-8835, 0000-0002-8793-5516, 0000-0002-6942-0594, 0000-0001-6672-8414, 0000-0002-2558-4431, 0000-0002-8501-7789, 0000-0003-2396-2993, 0000-0002-0963-8268, 0000-0001-9336-9656, 0000-0003-3088-9771, 0000-0002-1948-9243, 0000-0002-7344-7044, 0000-0002-9251-0790, 0000-0003-1606-0764, 0000-0001-6974-0224, 0000-0001-9778-4283, 0000-0002-4175-4787, 0000-0001-8604-1732, 0000-0001-8270-6979, 0000-0002-0809-7826, 0000-0002-1553-3868, 0000-0002-9744-8914, 0000-0002-1356-285X, 0000-0001-6273-4083, 0000-0002-8542-3699, 0000-0003-4500-3400, 0000-0003-0977-1656, 0000-0002-1992-2086, 0000-0002-2155-100X, 0000-0001-8881-0793, 0000-0001-6067-8321, 0000-0002-6875-957X, 0000-0003-4082-8163, 0000-0001-7350-8962, 0000-0001-9914-7659, 0000-0002-2668-4821, 0000-0001-7542-0286, 0000-0002-3207-2434, 0000-0002-6192-4632, 0000-0002-4624-4735, 0000-0002-4660-274X, 0000-0003-2622-6318, 0000-0001-6868-8145, 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, Ramírez, 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, and Schymanski, Emma L.

Abstract

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.

Published
2022

41. Equilibrium sampling of suspended particulate matter as a universal proxy for fish and mussel monitoring

Author

Wernicke, Theo, Abel, Sebastian, Escher, Beate I., Koschorreck, Jan, Rüdel, Heinz, Jahnke, Annika, and Publica

Subjects
Health, Toxicology and Mutagenesis, fungi, Passive equilibrium sampling, Public Health, Environmental and Occupational Health, General Medicine, Bioaccumulation, Pollution, Proxy, Environmental pollution, Suspended particulate matter (SPM), Bivalvia, Environmental sciences, Fish, TD172-193.5, Rivers, Suspended particulate matter (SPM), Passive equilibrium sampling, Bioaccumulation, Fish, Mussels, Proxy, Mussels, Animals, GE1-350, Particulate Matter, ddc:610, Water Pollutants, Chemical, Environmental Monitoring
Abstract

Ecotoxicology and environmental safety 232, 113285 (2022). doi:10.1016/j.ecoenv.2022.113285, Published by Elsevier, Amsterdam

Published
2022

42. Additional file 2 of The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry

Author

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, and Schymanski, Emma L.

Subjects
Pharmacology, Ecology, 39999 Chemical Sciences not elsewhere classified, FOS: Chemical sciences, FOS: Biological sciences, Computational Biology, Marine Biology, Biochemistry, Molecular Biology, Biotechnology, Cancer
Abstract

Additional file 2: Overview of the NORMAN-SLE website (DOCX format) as of 30 May 2022 [82].

Published
2022
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44. Quantification and Deep Characterization of Pfass in Suspended Particulate Matter (Spm) in Timelines of German Rivers Using Comprehensive Complementary Analytical Approaches – Eof, Dtopa, (Non-)Target Hrms

Author

Simon, Fabian, primary, Gehrenkemper, Lennart, additional, Becher, Susanne, additional, Dierkes, Georg, additional, Langhammer, Nicole, additional, Cossmer, Antje, additional, von der Au, Marcus, additional, Göckener, Bernd, additional, Fliedner, Annette, additional, Rüdel, Heinz, additional, Koschorreck, Jan, additional, and Meermann, Björn, additional

Published
2022
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46. What Factors Affect The Presence of Microorganisms In Cryotanks? - A Culture-Independent Approach To Assess Potential Microbial Colonization of Liquid Nitrogen Storage Tanks

Author

Bajerski, Felizitas, primary, Bürger, Antje, additional, Glasmacher, Birgit, additional, Keller, E.R. Joachim, additional, Müller, Karin, additional, Mühldorfer, Kristin, additional, Nagel, Manuela, additional, Rüdel, Heinz, additional, Müller, Thomas, additional, Schenkel, Johannes, additional, and Overmann, Jörg, additional

Published
2021
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