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Ozonation of lake water and wastewater: identification of carbonous and nitrogenous carbonyl-containing oxidation byproducts by non-target screening
Houska, J., Manasfi, T., Gebhardt, I., & von Gunten, U. (2023). Ozonation of lake water and wastewater: identification of carbonous and nitrogenous carbonyl-containing oxidation byproducts by non-target screening. Water Research, 232, 119484 (17 pp.). https://doi.org/10.1016/j.watres.2022.119484
Closing the gap: ion chromatography coupled to high-resolution mass spectrometry to trace highly polar anionic substances in groundwater
Schorr, J., Therampilly, S., Jiao, L., Longree, P., Singer, H., & Hollender, J. (2023). Closing the gap: ion chromatography coupled to high-resolution mass spectrometry to trace highly polar anionic substances in groundwater. Science of the Total Environment, 889, 164170 (10 pp.). https://doi.org/10.1016/j.scitotenv.2023.164170
Continuous high-frequency pesticide monitoring in a small tile-drained agricultural stream to reveal diel concentration fluctuations in dry periods
la Cecilia, D., Dax, A., Ehmann, H., Koster, M., Singer, H., & Stamm, C. (2023). Continuous high-frequency pesticide monitoring in a small tile-drained agricultural stream to reveal diel concentration fluctuations in dry periods. Frontiers in Water, 4, 1062198 (19 pp.). https://doi.org/10.3389/frwa.2022.1062198
Comprehensive screening of polar emerging organic contaminants including PFASs and evaluation of the trophic transfer behavior in a freshwater food web
Fu, Q., Meyer, C., Patrick, M., Kosfeld, V., Rüdel, H., Koschorreck, J., & Hollender, J. (2022). Comprehensive screening of polar emerging organic contaminants including PFASs and evaluation of the trophic transfer behavior in a freshwater food web. Water Research, 218, 118514 (12 pp.). https://doi.org/10.1016/j.watres.2022.118514
The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry
Taha, H. M., Aalizadeh, R., Alygizakis, N., Antignac, J. P., Arp, H. P. H., Bade, R., … Schymanski, E. L. (2022). The NORMAN Suspect List Exchange (NORMAN-SLE): facilitating European and worldwide collaboration on suspect screening in high resolution mass spectrometry. Environmental Sciences Europe, 34, 104 (26 pp.). https://doi.org/10.1186/s12302-022-00680-6
Continuous high-frequency pesticide monitoring to observe the unexpected and the overlooked
la Cecilia, D., Dax, A., Ehmann, H., Koster, M., Singer, H., & Stamm, C. (2021). Continuous high-frequency pesticide monitoring to observe the unexpected and the overlooked. Water Research X, 13, 100125 (11 pp.). https://doi.org/10.1016/j.wroa.2021.100125
Retrospective screening of high-resolution mass spectrometry archived digital samples can improve environmental risk assessment of emerging contaminants: a case study on antifungal azoles
Creusot, N., Casado-Martinez, C., Chiaia-Hernandez, A., Kiefer, K., Ferrari, B. J. D., Fu, Q., … Hollender, J. (2020). Retrospective screening of high-resolution mass spectrometry archived digital samples can improve environmental risk assessment of emerging contaminants: a case study on antifungal azoles. Environment International, 139, 105708 (10 pp.). https://doi.org/10.1016/j.envint.2020.105708
NORMAN digital sample freezing platform: a European virtual platform to exchange liquid chromatography high resolution-mass spectrometry data and screen suspects in "digitally frozen" environmental samples
Alygizakis, N. A., Oswald, P., Thomaidis, N. S., Schymanski, E. L., Aalizadeh, R., Schulze, T., … Slobodnik, J. (2019). NORMAN digital sample freezing platform: a European virtual platform to exchange liquid chromatography high resolution-mass spectrometry data and screen suspects in "digitally frozen" environmental samples. Trends in Analytical Chemistry, 115, 129-137. https://doi.org/10.1016/j.trac.2019.04.008
The role of analytical chemistry in exposure science: focus on the aquatic environment
Hernández, F., Bakker, J., Bijlsma, L., de Boer, J., Botero-Coy, A. M., Bruinen de Bruin, Y., … Hogendoorn, E. A. (2019). The role of analytical chemistry in exposure science: focus on the aquatic environment. Chemosphere, 222, 564-583. https://doi.org/10.1016/j.chemosphere.2019.01.118
High resolution mass spectrometry-based non-target screening can support regulatory environmental monitoring and chemicals management
Hollender, J., van Bavel, B., Dulio, V., Farmen, E., Furtmann, K., Koschorreck, J., … Tornero, V. (2019). High resolution mass spectrometry-based non-target screening can support regulatory environmental monitoring and chemicals management. Environmental Sciences Europe, 31(1), 42 (11 pp.). https://doi.org/10.1186/s12302-019-0225-x
New relevant pesticide transformation products in groundwater detected using target and suspect screening for agricultural and urban micropollutants with LC-HRMS
Kiefer, K., Müller, A., Singer, H., & Hollender, J. (2019). New relevant pesticide transformation products in groundwater detected using target and suspect screening for agricultural and urban micropollutants with LC-HRMS. Water Research, 165, 114972 (11 pp.). https://doi.org/10.1016/j.watres.2019.114972
Critical assessment of small molecule identification 2016: automated methods
Schymanski, E. L., Ruttkies, C., Krauss, M., Brouard, C., Kind, T., Dührkop, K., … Neumann, S. (2017). Critical assessment of small molecule identification 2016: automated methods. Journal of Cheminformatics, 9, 1-21. https://doi.org/10.1186/s13321-017-0207-1
Pixel-by-pixel correction of retention time shifts in chromatograms from comprehensive two-dimensional gas chromatography coupled to high resolution time-of-flight mass spectrometry
Zushi, Y., Gros, J., Tao, Q., Reichenbach, S. E., Hashimoto, S., & Arey, J. S. (2017). Pixel-by-pixel correction of retention time shifts in chromatograms from comprehensive two-dimensional gas chromatography coupled to high resolution time-of-flight mass spectrometry. Journal of Chromatography A, 1508, 121-129. https://doi.org/10.1016/j.chroma.2017.05.065
MetFrag relaunched: incorporating strategies beyond <I>in silico</I> fragmentation
Ruttkies, C., Schymanski, E. L., Wolf, S., Hollender, J., & Neumann, S. (2016). MetFrag relaunched: incorporating strategies beyond in silico fragmentation. Journal of Cheminformatics, 8, 3 (16 pp.). https://doi.org/10.1186/s13321-016-0115-9
Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis
Schymanski, E. L., Singer, H. P., Slobodnik, J., Ipolyi, I. M., Oswald, P., Krauss, M., … Hollender, J. (2015). Non-target screening with high-resolution mass spectrometry: critical review using a collaborative trial on water analysis. Analytical and Bioanalytical Chemistry, 407(21), 6237-6255. https://doi.org/10.1007/s00216-015-8681-7
LC-high resolution MS in environmental analysis: from target screening to the identification of unknowns
Krauss, M., Singer, H., & Hollender, J. (2010). LC-high resolution MS in environmental analysis: from target screening to the identification of unknowns. Analytical and Bioanalytical Chemistry, 397(3), 943-951. https://doi.org/10.1007/s00216-010-3608-9
Understanding consumption-related sucralose emissions - a conceptual approach combining substance-flow analysis with sampling analysis
Schmid Neset, T. S., Singer, H., Longrée, P., Bader, H. P., Scheidegger, R., Wittmer, A., & Andersson, J. C. M. (2010). Understanding consumption-related sucralose emissions - a conceptual approach combining substance-flow analysis with sampling analysis. Science of the Total Environment, 408(16), 3261-3269. https://doi.org/10.1016/j.scitotenv.2010.04.003