33 results on '"Muschket, Matthias"'
Search Results
2. Efficacy of activated carbon filtration and ozonation to remove persistent and mobile substances – A case study in two wastewater treatment plants
- Author
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Neuwald, Isabelle J., Muschket, Matthias, Seelig, Alina H., Sauter, Daniel, Gnirss, Regina, Knepper, Thomas P., Reemtsma, Thorsten, and Zahn, Daniel
- Published
- 2023
- Full Text
- View/download PDF
3. Pilot-scale removal of persistent and mobile organic substances in granular activated carbon filters and experimental predictability at lab-scale
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Schumann, Pia, Müller, Dario, Eckardt, Paulina, Muschket, Matthias, Dittmann, Daniel, Rabe, Luisa, Kerst, Kristin, Lerch, André, Reemtsma, Thorsten, Jekel, Martin, and Ruhl, Aki Sebastian
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- 2023
- Full Text
- View/download PDF
4. 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, and Schymanski, Emma L.
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- 2022
- Full Text
- View/download PDF
5. Filling the knowledge gap: A suspect screening study for 1310 potentially persistent and mobile chemicals with SFC- and HILIC-HRMS in two German river systems
- Author
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Neuwald, Isabelle, Muschket, Matthias, Zahn, Daniel, Berger, Urs, Seiwert, Bettina, Meier, Till, Kuckelkorn, Jochen, Strobel, Claudia, Knepper, Thomas P., and Reemtsma, Thorsten
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- 2021
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6. Disentangling multiple chemical and non-chemical stressors in a lotic ecosystem using a longitudinal approach
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Weitere, Markus, Altenburger, Rolf, Anlanger, Christine, Baborowski, Martina, Bärlund, Ilona, Beckers, Liza-Marie, Borchardt, Dietrich, Brack, Werner, Brase, Lisa, Busch, Wibke, Chatzinotas, Antonis, Deutschmann, Björn, Eligehausen, Jens, Frank, Karin, Graeber, Daniel, Griebler, Christian, Hagemann, Jeske, Herzsprung, Peter, Hollert, Henner, Inostroza, Pedro A., Jäger, Christoph G., Kallies, René, Kamjunke, Norbert, Karrasch, Bernhard, Kaschuba, Sigrid, Kaus, Andrew, Klauer, Bernd, Knöller, Kay, Koschorreck, Matthias, Krauss, Martin, Kunz, Julia V., Kurz, Marie J., Liess, Matthias, Mages, Margarete, Müller, Christin, Muschket, Matthias, Musolff, Andreas, Norf, Helge, Pöhlein, Florian, Reiber, Lena, Risse-Buhl, Ute, Schramm, Karl-Werner, Schmitt-Jansen, Mechthild, Schmitz, Markus, Strachauer, Ulrike, von Tümpling, Wolf, Weber, Nina, Wild, Romy, Wolf, Christine, and Brauns, Mario
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- 2021
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7. Ozonation products from trace organic chemicals in municipal wastewater and from metformin: peering through the keyhole with supercritical fluid chromatography-mass spectrometry
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Seiwert, Bettina, Nihemaiti, Maolida, Bauer, Coretta, Muschket, Matthias, Sauter, Daniel, Gnirss, Regina, and Reemtsma, Thorsten
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- 2021
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8. Determination of transformation products of per- and polyfluoroalkyl substances at trace levels in agricultural plants
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Muschket, Matthias, Keltsch, Nils, Paschke, Heidrun, Reemtsma, Thorsten, and Berger, Urs
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- 2020
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9. Persistente und mobile Stoffe im Wasserkreislauf – Erkenntnisse des PROTECT‐Projekts
- Author
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Muschket, Matthias, primary, Zahn, Daniel, additional, Neuwald, Isabelle, additional, Knepper, Thomas, additional, Schumann, Pia, additional, Rabe, Luisa, additional, Ruhl, Aki Sebastian, additional, Kuckelkorn, Jochen, additional, Jekel, Martin, additional, and Reemtsma, Thorsten, additional
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- 2023
- Full Text
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10. Persistente mobile organische Chemikalien in der aquatischen Umwelt: Quellen, Vorkommen und technische Möglichkeiten zu ihrer Entfernung in der Trinkwasseraufbereitung (PROTECT) - Schlussbericht
- Author
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Muschket, Matthias, Zahn, Daniel, Neuwald, I., Knepper, T., Schumann, P., Rabe, L., Ruhl, A.S., Jekel, M., Kuckelkorn, J., Schnitzer, G., Schulze, H., Dölchow, U., Fink, A., Reemtsma, Thorsten, Muschket, Matthias, Zahn, Daniel, Neuwald, I., Knepper, T., Schumann, P., Rabe, L., Ruhl, A.S., Jekel, M., Kuckelkorn, J., Schnitzer, G., Schulze, H., Dölchow, U., Fink, A., and Reemtsma, Thorsten
- Published
- 2023
11. Is adsorption onto activated carbon a feasible drinking water treatment option for persistent and mobile substances?
- Author
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Schumann, P., Muschket, Matthias, Dittmann, D., Rabe, L., Reemtsma, Thorsten, Jekel, M., Ruhl, A.S., Schumann, P., Muschket, Matthias, Dittmann, D., Rabe, L., Reemtsma, Thorsten, Jekel, M., and Ruhl, A.S.
- Abstract
Persistent and mobile (PM) substances among the organic micropollutants have gained increasing interest since their inherent properties enable them to enrich in water cycles. This study set out to investigate the potential of adsorption onto activated carbon as a drinking water treatment option for 19 PM candidates in batch experiments in a drinking water matrix using a microporous and a mesoporous activated carbon. Overall, adsorption of PM candidates proved to be very variable and the extent of removal could not be directly related to molecular properties. At an activated carbon dose of 10 mg/L and 48 h contact time, five (out of 19) substances were readily removed (≥ 80%), among them N-(3-(dimethylamino)-propyl)methacrylamide, which was investigated for the first time. For five other substances, no or negligible removal (< 20%) was observed, including 2-methyl-2-propene-1-sulfonic acid and 4‑hydroxy-1-(2-hydroxyethyl)-2,2,6,6,-tetramethylpiperidine. For the former, current state of the art adsorption processes may pose a sufficient barrier. Additionally, substance specific surrogate correlations between removals and UVA254 abatements were established to provide a cheap and fast estimate for PM candidate elimination. Adsorption onto activated carbon could contribute significantly to PM substance elimination as part of multi barrier approaches, but assessments for individual substances still require clarification, as demonstrated for the investigated PM candidates.
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- 2023
12. Persistente und mobile Stoffe im Wasserkreislauf – Erkenntnisse des PROTECT-Projekts
- Author
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Muschket, Matthias, Zahn, Daniel, Neuwald, I., Knepper, T., Schumann, P., Rabe, L., Ruhl, A.S., Kuckelkorn, J., Jekel, M., Reemtsma, Thorsten, Muschket, Matthias, Zahn, Daniel, Neuwald, I., Knepper, T., Schumann, P., Rabe, L., Ruhl, A.S., Kuckelkorn, J., Jekel, M., and Reemtsma, Thorsten
- Abstract
no abstract
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- 2023
13. Downscaling procedures reduce chemical use in androgen receptor reporter gene assay
- Author
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Di Paolo, Carolina, Kirchner, Kristina, Balk, Fabian Gerhard Peter, Muschket, Matthias, Brack, Werner, Hollert, Henner, and Seiler, Thomas-Benjamin
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- 2016
- Full Text
- View/download PDF
14. Effect-directed analysis supporting monitoring of aquatic environments — An in-depth overview
- Author
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Brack, Werner, Ait-Aissa, Selim, Burgess, Robert M., Busch, Wibke, Creusot, Nicolas, Di Paolo, Carolina, Escher, Beate I., Mark Hewitt, L., Hilscherova, Klara, Hollender, Juliane, Hollert, Henner, Jonker, Willem, Kool, Jeroen, Lamoree, Marja, Muschket, Matthias, Neumann, Steffen, Rostkowski, Pawel, Ruttkies, Christoph, Schollee, Jennifer, Schymanski, Emma L., Schulze, Tobias, Seiler, Thomas-Benjamin, Tindall, Andrew J., De Aragão Umbuzeiro, Gisela, Vrana, Branislav, and Krauss, Martin
- Published
- 2016
- Full Text
- View/download PDF
15. Is adsorption onto activated carbon a feasible drinking water treatment option for persistent and mobile substances?
- Author
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Schumann, Pia, primary, Muschket, Matthias, additional, Dittmann, Daniel, additional, Rabe, Luisa, additional, Reemtsma, Thorsten, additional, Jekel, Martin, additional, and Ruhl, Aki Sebastian, additional
- Published
- 2023
- Full Text
- View/download PDF
16. Persistente mobile organische Chemikalien in der aquatischen Umwelt: Quellen, Vorkommen und technische Möglichkeiten zu ihrer Entfernung in der Trinkwasseraufbereitung (PROTECT)
- Author
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Muschket, Matthias, Zahn, Daniel, Neuwald, Isabelle, Knepper, Thomas, Schumann, Pia, Rabe, Luisa, Ruhl, Aki Sebastian, Jekel, Martin, Kuckelkorn, Jochen, Schnitzer, Grid, Schulze, Heiko, Dölchow, Uli, Fink, Angelika, and Reemtsma, Thorsten
- Abstract
Schlussbericht, gefördert von Bundesministerium für Bildung und Forschung (BMBF), FKz 02WRS1495.
- Published
- 2023
- Full Text
- View/download PDF
17. The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and Worldwide Collaboration on Suspect Screening in High Resolution Mass Spectrometry
- Author
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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
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- 2022
- Full Text
- View/download PDF
18. The NORMAN Suspect List Exchange (NORMAN-SLE) : facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
- Author
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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
- Full Text
- View/download PDF
19. The NORMAN Suspect List Exchange (NORMAN-SLE): Facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
- Author
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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
20. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
- Author
-
Taha, H.M., Aalizadeh, R., Alygizakis, N., Brack, Werner, Krauss, Martin, Muschket, Matthias, Reemtsma, Thorsten, Schulze, Tobias, Sengl, M., Shoemaker, B.A., et al., Taha, H.M., Aalizadeh, R., Alygizakis, N., Brack, Werner, Krauss, Martin, Muschket, Matthias, Reemtsma, Thorsten, Schulze, Tobias, Sengl, M., and Shoemaker, B.A., et al.
- 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.e
- Published
- 2022
21. The NORMAN Suspect List Exchange (NORMAN-SLE):facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
- Author
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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., 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.
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- 2022
22. The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
- Author
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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.
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- 2022
23. 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
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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, 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].
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- 2022
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- View/download PDF
24. Sources and Fate of the Antiandrogenic Fluorescent Dye 4‐Methyl‐7‐Diethylaminocoumarin in Small River Systems
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Muschket, Matthias, primary, Brack, Werner, additional, Inostroza, Pedro A., additional, Beckers, Liza‐Marie, additional, Schulze, Tobias, additional, and Krauss, Martin, additional
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- 2021
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25. Filling the knowledge gap: A suspect screening study for 1310 potentially persistent and mobile chemicals with SFC- and HILIC-HRMS in two German river systems
- Author
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Neuwald, I., Muschket, Matthias, Zahn, D., Berger, Urs, Seiwert, Bettina, Meier, Till, Kuckelkorn, J., Strobel, C., Knepper, T.P., Reemtsma, Thorsten, Neuwald, I., Muschket, Matthias, Zahn, D., Berger, Urs, Seiwert, Bettina, Meier, Till, Kuckelkorn, J., Strobel, C., Knepper, T.P., and Reemtsma, Thorsten
- Abstract
Persistent and mobile chemicals (PM chemicals) were searched for in surface waters by hydrophilic interaction liquid chromatography (HILIC) and supercritical fluid chromatography (SFC), both coupled to high resolution mass spectrometry (HRMS). A suspect screening was performed using a newly compiled list of 1310 potential PM chemicals to the data of 11 surface water samples from two river systems. In total, 64 compounds were identified by this approach. The overlap between HILIC- and SFC-HRMS was limited (31 compounds), confirming the complementarity of the two methods used. The identified PM candidates are characterized by a high polarity (median logD -0.4 at pH 7.5), a low molecular weight (median 187 g/mol), are mostly ionic (54 compounds) and contain a large number of heteroatoms (one per four carbons on average). Among the most frequently detected novel or yet scarcely investigated water contaminants were cyanoguanidine (11/11 samples), adamantan-1-amine (10/11), trifluoromethanesulfonate (9/11), 2-acrylamido-2-methylpropanesulfonate (10/11), and the inorganic anions hexafluorophosphate (11/11) and tetrafluoroborate (10/11). 31% of the identified suspects are mainly used in ionic liquids, a chemically diverse group of industrial chemicals with numerous applications that is so far rarely studied for their occurrence in the environment. Prioritization of the findings of PM candidates is hampered by the apparent lack of toxicity data. Hence, precautionary principles and minimization approaches should be applied for the risk assessment and risk management of these substances. The large share of novel water contaminants among these findings of the suspect screening indicates that the universe of PM chemicals present in the environment has so far only scarcely been explored. Dedicated analytical methods and screening lists appear essential to close the analytical gap for PM compounds.
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- 2021
26. Sources and fate of the antiandrogenic fluorescent dye 4-methyl-7-diethylaminocoumarin in small river systems
- Author
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Muschket, Matthias, Brack, Werner, Inostroza, N.G., Beckers, Liza-Marie, Schulze, Tobias, Krauss, Martin, Muschket, Matthias, Brack, Werner, Inostroza, N.G., Beckers, Liza-Marie, Schulze, Tobias, and Krauss, Martin
- Abstract
Recently, the potent antiandrogen 4-methyl-7-diethylaminocoumarin (C47), and its potential transformation products 4-methyl-7-ethylaminocoumarin (C47T1) and 4-methyl-7-aminocoumarin (C47T2) were identified as novel environmental contaminants. We assessed for the first time the sources, distribution and fate of these compounds in aquatic systems using the Holtemme river (Saxony-Anhalt, Germany), which is a hotspot for these contaminants. To this end, wastewater treatment plant influent and effluent samples, surface water samples over three years and the longitudinal profiles in water, sediment and gammarids were analyzed. From the longitudinal profile of the river stretch, the wastewater treatment plant (WWTP) of Silstedt was identified as the sole point source for these compounds in the River Holtemme, and exposure concentrations in the low µg/L range could be recorded continuously over three years. The analysis of WWTP influent and effluent showed a transformation of about half of the C47 into C47T1 and C47T2, but no complete removal. A further attenuation of the three coumarins after discharge into the river could be largely attributed to dilution, while transformation was only around 20%, thus suggesting a significant persistence in aquatic systems. Experimentally derived partitioning coefficients between water and sediment organic carbon (KOC) exceeded those predicted using the OPERA QSAR tools and poly-parameter linear free energy relationships by up to 93-fold, suggesting cation binding as a significant factor for their sorption behavior. Near-equilibrium conditions between water and sediment were not observed close to the emitting WWTP but further downstream in the river. Experimental and predicted bioaccumulation factors for gammarids were closely matching and the concentrations in field-sampled gammarids were close to steady-state with exposure concentrations in the water phase of the river.
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- 2021
27. Separation of multiphosphorylated peptide isomers by hydrophilic interaction chromatography on an aminopropyl phase
- Author
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Singer, David, Kuhlmann, Julia, Muschket, Matthias, and Hoffmann, Ralf
- Subjects
Peptides -- Chemical properties ,Peptides -- Composition ,Chromatography -- Methods ,Isomerism -- Chemical properties ,Isomerism -- Composition ,Separation (Technology) -- Methods ,Separation (Technology) -- Technology application ,Phosphorylation -- Research ,Technology application ,Chemistry - Abstract
The separation of isomeric phosphorylated peptides is challenging and often impossible for multiphosphorylated isomers using chromatographic and capillary electrophoretic methods. In this study we investigated the separation of a set of single-, double-, and triple-phosphorylated peptides (corresponding to the human ????? protein) by ion-pair reversed-phase chromatography (IPRPC) and hydrophilic interaction chromatography (HILIC). In HILIC both hydroxyl and aminopropyl stationary phases were tested with aqueous acetonitrile in order to assess their separation efficiency. The hydroxyl phase separated the phosphopeptides very well from the unphosphorylated analogue, while on the aminopropyl phase even isomeric phosphopeptides attained baseline separation. Thus, up to seven phosphorylated versions of a given r domain were separated. Furthermore, the low concentration of an acidic ammonium formate buffer allowed an online analysis with electrospray ionization tandem mass spectrometry (ESI-MS/MS) to be conducted, enabling peptide sequencing and identification of phosphorylation sites. 10.1021/ac100473k
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- 2010
28. Disentangling multiple chemical and non-chemical stressors in a lotic ecosystem using a longitudinal approach
- Author
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Weitere, Markus, Altenburger, Rolf, Anlanger, Christine, Baborowski, Martina, Bärlund, Ilona, Beckers, Liza-Marie, Borchardt, Dietrich, Brack, Werner, Brase, L., Busch, Wibke, Chatzinotas, Antonis, Deutschmann, B., Eligehausen, Jens, Frank, Karin, Graeber, Daniel, Griebler, C., Hagemann, Jeske, Herzsprung, Peter, Hollert, H., Inostroza, Pedro, Jäger, Christoph, Kallies, Rene, Kamjunke, Norbert, Karrasch, Bernhard, Kaschuba, S., Kaus, Andrew, Klauer, Bernd, Knöller, Kay, Koschorreck, Matthias, Krauss, Martin, Kunz, Julia Vanessa, Kurz, Marie, Liess, Matthias, Mages, Margarete, Müller, Christin, Muschket, Matthias, Musolff, Andreas, Norf, Helge, Pöhlein, Florian, Reiber, Lena, Risse-Buhl, Ute, Schramm, K.-W., Schmitt-Jansen, Mechthild, Schmitz, M., Strachauer, Ulrike, von Tümpling, Wolf, Weber, N., Wild, Romy, Wolf, Christine, Brauns, Mario, Weitere, Markus, Altenburger, Rolf, Anlanger, Christine, Baborowski, Martina, Bärlund, Ilona, Beckers, Liza-Marie, Borchardt, Dietrich, Brack, Werner, Brase, L., Busch, Wibke, Chatzinotas, Antonis, Deutschmann, B., Eligehausen, Jens, Frank, Karin, Graeber, Daniel, Griebler, C., Hagemann, Jeske, Herzsprung, Peter, Hollert, H., Inostroza, Pedro, Jäger, Christoph, Kallies, Rene, Kamjunke, Norbert, Karrasch, Bernhard, Kaschuba, S., Kaus, Andrew, Klauer, Bernd, Knöller, Kay, Koschorreck, Matthias, Krauss, Martin, Kunz, Julia Vanessa, Kurz, Marie, Liess, Matthias, Mages, Margarete, Müller, Christin, Muschket, Matthias, Musolff, Andreas, Norf, Helge, Pöhlein, Florian, Reiber, Lena, Risse-Buhl, Ute, Schramm, K.-W., Schmitt-Jansen, Mechthild, Schmitz, M., Strachauer, Ulrike, von Tümpling, Wolf, Weber, N., Wild, Romy, Wolf, Christine, and Brauns, Mario
- Abstract
Meeting ecological and water quality standards in lotic ecosystems is often failed due to multiple stressors. However, disentangling stressor effects and identifying relevant stressor-effect-relationships in complex environmental settings remain major challenges. By combining state-of-the-art methods from ecotoxicology and aquatic ecosystem analysis, we aimed here to disentangle the effects of multiple chemical and non-chemical stressors along a longitudinal land use gradient in a third-order river in Germany. We distinguished and evaluated four dominant stressor categories along this gradient: (1) Hydromorphological alterations: Flow diversity and substrate diversity correlated with the EU-Water Framework Directive based indicators for the quality elements macroinvertebrates, which deteriorated at the transition from near-natural reference sites to urban sites. (2) Elevated nutrient levels and eutrophication: Low to moderate nutrient concentrations together with complete canopy cover at the reference sites correlated with low densities of benthic algae (biofilms). We found no more systematic relation of algal density with nutrient concentrations at the downstream sites, suggesting that limiting concentrations are exceeded already at moderate nutrient concentrations and reduced shading by riparian vegetation. (3) Elevated organic matter levels: Wastewater treatment plants (WWTP) and stormwater drainage systems were the primary sources of bioavailable dissolved organic carbon. Consequently, planktonic bacterial production and especially extracellular enzyme activity increased downstream of those effluents showing local peaks. (4) Micropollutants and toxicity-related stress: WWTPs were the predominant source of toxic stress, resulting in a rapid increase of the toxicity for invertebrates and algae within only one order of magnitude below the acute toxic levels. This toxicity correlates negatively with the contribution of invertebrate species being sensitive towards pe
- Published
- 2020
29. A rapid method for quantification of persistent and mobile organic substances in water using supercritical fluid chromatography coupled to high-resolution mass spectrometry
- Author
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Schulze, Stefanie, primary, Paschke, Heidrun, additional, Meier, Till, additional, Muschket, Matthias, additional, Reemtsma, Thorsten, additional, and Berger, Urs, additional
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- 2020
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30. Effect-directed identification and fate analysis of potent antiandrogenic coumarin derivatives in a central European river
- Author
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Muschket, Matthias, Hollert, Henner, and Brack, Werner
- Subjects
Antiandrogenicity ,ddc:570 ,Effect-directed analysis ,Coumarin ,surface water ,Fractionation ,Endocrine disrupting chemicals - Abstract
Dissertation, RWTH Aachen University, 2018; Aachen 1 Online-Ressource (xxi, 208 Seiten) : Illustrationen, Diagramme (2018). = Dissertation, RWTH Aachen University, 2018, Surface waters are adversely affected by the discharge of wastewater that is containing numerous anthropogenic micropollutants. In consequence, endocrine disrupting effects like androgenicity and antiandrogenicity are frequently observed in the aquatic environment. Even if a large list of androgen axis disruptors is available, linking of adverse effects to responsible chemicals is hampered by a great share of this compound group, which is remaining unknown. Structure elucidation of these “unknowns” in environmental mixtures of typically thousands of compounds is extremely challenging even despite powerful tools like effect-directed analysis (EDA) are available. In this thesis, a novel, multidimensional fractionation approach was developed to support EDA of surface waters with endocrine disrupting activity. In chapter 2, four reversed phases were selected with a focus on the separation of androgens and antiandrogens. To this end, a representative mixture of 39 endocrine disrupting compounds (EDCs) was separated on a set of 17 columns with widely differing bond chemistries. After exclusion of columns with poor peak shapes and chromatographic resolution those stationary phases displaying the highest degree of orthogonal separation selectivity for EDCs were depicted using principal component analysis and Spearman rank correlation: aminopropyl-, octadecyl-, and pyrenyl ethyl silica phase. Additionally, a pentafluorophenyl silica phase was chosen due to promising results reported in the literature. A surface water sample with antiandrogenic activity was fractionated in parallel on the four selected columns. The resulting coverage of the virtual two-dimensional separation space with non-target peaks confirmed the high degree of orthogonality of the selected stationary phases. Besides, the separation of co-eluting isobaric compounds led to a 4.8fold increase of the number of detected peaks. Consequently, the fractionation system is facilitating the chemical identification of organic micropollutants by chemical target, suspect and non-target screening using high resolution mass spectrometry. In chapter 3, the established fractionation approach was applied to minimize the complexity of a surface water sample collected close to the effluent of a waste water treatment plant in the river Holtemme in Germany. In concert with a miniaturized luciferase reporter gene cell-based anti-AR-CALUX assay and LC-HRMS/MS non-target screening the highly potent antiandrogen 4-methyl-7-diethylaminocoumarin (C47), as well as the two less active derivatives 4-methyl-7-ethylaminocoumarin (C47T1) and 4-methyl-7-aminocoumarin (C47T2) were identified. The measured in vitro effect was quantitatively confirming C47 as the major cause of antiandrogenicity. Furthermore the antiandrogenic activity of C47 was also observed in vivo in spiggin-gfp Medaka already at the concentration equal to the concentration in the non-concentrated water extract. The longitudinal and temporal distribution of C47 and its derivatives along the whole river stretch was investigated in chapter 4. A constant exposure of the aquatic ecosystem by the three antiandrogens was observed at all sites downstream of the wastewater treatment plant of Silstedt, which was identified as the continuous source that is releasing C47, C47T1 and C47T2 in the gram per day range. Moreover, all compounds were detected in sediment and biota represented by the ubiquitous species Gammarus pulex. In this context, an experimental evaluation did not confirm typically proposed hydrophobic interaction to organic carbon as the driving force of partitioning into sediment but suggested cation binding of these aromatic amines to sediment. Finally, the coumarin derivatives were assessed as persistent as C47 is solely partially degraded to the less antiandrogenic potent C47T1 and C47T2 in the WWTP while a further attenuation of the compounds within the river was solely attributed to dilution by groundwater inflow., Published by Aachen
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- 2018
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31. Identification of Unknown Antiandrogenic Compounds in Surface Waters by Effect-Directed Analysis (EDA) Using a Parallel Fractionation Approach
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Muschket, Matthias, primary, Di Paolo, Carolina, additional, Tindall, Andrew J., additional, Touak, Gérald, additional, Phan, Audrey, additional, Krauss, Martin, additional, Kirchner, Kristina, additional, Seiler, Thomas-Benjamin, additional, Hollert, Henner, additional, and Brack, Werner, additional
- Published
- 2017
- Full Text
- View/download PDF
32. Identification of Unknown Antiandrogenic Compounds in Surface Waters by Effect-Directed Analysis (EDA) Using a Parallel Fractionation Approach
- Author
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Muschket, Matthias, Di Paolo, Carolina, Tindall, Andrew J., Touak, Gérald, Phan, Audrey, Krauss, Martin, Kirchner, Kristina, Seiler, Thomas-Benjamin, Hollert, Henner, and Brack, Werner
- Abstract
Among all the nuclear-receptor mediated endocrine disruptive effects, antiandrogenicity is frequently observed in aquatic environments and may pose a risk to aquatic organisms. Linking these effects to responsible chemicals is challenging and a great share of antiandrogenic activity detected in the environment has not been explained yet. To identify drivers of this effect at a hot spot of antiandrogenicity in the German river Holtemme, we applied effect-directed analysis (EDA) including a parallel fractionation approach, a downscaled luciferase reporter gene cell-based anti-AR-CALUX assay and LC-HRMS/MS nontarget screening. We identified and confirmed the highly potent antiandrogen 4-methyl-7-diethylaminocoumarin (C47) and two derivatives in the active fractions. The relative potency of C47 to the reference compound flutamide was over 5.2, whereas the derivatives were less potent. C47 was detected at a concentration of 13.7 μg/L, equal to 71.4 μg flutamide equivalents per liter (FEq/L) in the nonconcentrated water extract that was posing an antiandrogenic activity equal to 45.5 (±13.7 SD) FEq/L. Thus, C47 was quantitatively confirmed as the major cause of the measured effect in vitro. Finally, the antiandrogenic activity of C47 and one derivate was confirmed in vivo in spiggin-gfp Medaka. An endocrine disrupting effect of C47 was observed already at the concentration equal to the concentration in the nonconcentrated water extract, underlining the high risk posed by this compound to the aquatic ecosystem. This is of some concern since C47 is used in a number of consumer products indicating environmental as well as human exposure.
- Published
- 2024
- Full Text
- View/download PDF
33. Identification of Unknown Antiandrogenic Compounds in Surface Waters by Effect-Directed Analysis (EDA) Using a Parallel Fractionation Approach.
- Author
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Muschket, Matthias, Di Paolo, Carolina, Tindall, Andrew J., Touak, Gérald, Phan, Audrey, Krauss, Martín, Kirchner, Kristina, Seiler, Thomas-Benjamin, Hollert, Henner, and Brack, Werner
- Subjects
- *
ANTIANDROGENS , *LIQUID chromatography-mass spectrometry , *COUMARINS , *FLUTAMIDE , *IN vitro studies - Abstract
Among all the nuclear-receptor mediated endocrine disruptive effects, antiandrogenicity is frequently observed in aquatic environments and may pose a risk to aquatic organisms. Linking these effects to responsible chemicals is challenging and a great share of antiandrogenic activity detected in the environment has not been explained yet. To identify drivers of this effect at a hot spot of antiandrogenicity in the German river Holtemme, we applied effect-directed analysis (EDA) including a parallel fractionation approach, a downscaled luciferase reporter gene cell-based anti-AR-CALUX assay and LC-HRMS/MS nontarget screening. We identified and confirmed the highly potent antiandrogen 4-methyl-7-diethylaminocoumarin (C47) and two derivatives in the active fractions. The relative potency of C47 to the reference compound flutamide was over 5.2, whereas the derivatives were less potent. C47 was detected at a concentration of 13.7 μg/L, equal to 71.4 ±g flutamide equivalents per liter (FEq/L) in the nonconcentrated water extract that was posing an antiandrogenic activity equal to 45.5 (±13.7 SD) FEq/L. Thus, C47 was quantitatively confirmed as the major cause of the measured effect in vitro. Finally, the antiandrogenic activity of C47 and one derivate was confirmed in vivo in spiggin-gfp Medaka. An endocrine disrupting effect of C47 was observed already at the concentration equal to the concentration in the nonconcentrated water extract, underlining the high risk posed by this compound to the aquatic ecosystem. This is of some concern since C47 is used in a number of consumer products indicating environmental as well as human exposure. [ABSTRACT FROM AUTHOR]
- Published
- 2018
- Full Text
- View/download PDF
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