title: LC-MS screening techniques for wastewater analysis and analytical data handling strategies: Sartans and their transformation products as an example.
abstract: A large number of anthropogenic trace contaminants such as pharmaceuticals, their human metabolites and further transformation products (TPs) enter wastewater treatment plants on a daily basis. A mixture of known, expected, and unknown molecules are discharged into the receiving aquatic environment because only partial elimination occurs for many of these chemicals during physical, biological and chemical treatment processes. In this study, an array of LC-MS methods from three collaborating laboratories was applied to detect and identify anthropogenic trace contaminants and their TPs in different waters. Starting with theoretical predictions of TPs, an efficient workflow using the combination of target, suspected-target and non-target strategies for the identification of these TPs in the environment was developed. These techniques and strategies were applied to study anti-hypertensive drugs from the sartan group (i.e., candesartan, eprosartan, irbesartan, olmesartan, and valsartan). Degradation experiments were performed in lab-scale wastewater treatment plants, and a screening workflow including an inter-laboratory approach was used for the identification of transformation products in the effluent samples. Subsequently, newly identified compounds were successfully analyzed in effluents of real wastewater treatment plants and river waters.
authors.affiliation: Chair of Urban Water Systems Engineering, Technische Universität München, Am Coulombwall 8, 85748 Garching, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Letzel
authors.affiliation: Bavarian Environment Agency, Bürgermeister-Ulrich-Str. 160, 86179 Augsburg, Germany.
authors.forename: Anne
authors.initials: A
authors.lastname: Bayer
authors.affiliation: Zweckverband Landeswasserversorgung, Laboratory for Operation Control and Research, Am Spitzigen Berg 1, 89129 Langenau, Germany.
authors.forename: Wolfgang
authors.initials: W
authors.lastname: Schulz
authors.affiliation: Zweckverband Landeswasserversorgung, Laboratory for Operation Control and Research, Am Spitzigen Berg 1, 89129 Langenau, Germany.
authors.forename: Alexandra
authors.initials: A
authors.lastname: Heermann
authors.affiliation: Zweckverband Landeswasserversorgung, Laboratory for Operation Control and Research, Am Spitzigen Berg 1, 89129 Langenau, Germany.
authors.forename: Thomas
authors.initials: T
authors.lastname: Lucke
authors.affiliation: Chair of Urban Water Systems Engineering, Technische Universität München, Am Coulombwall 8, 85748 Garching, Germany.
authors.forename: Giorgia
authors.initials: G
authors.lastname: Greco
authors.affiliation: Chair of Urban Water Systems Engineering, Technische Universität München, Am Coulombwall 8, 85748 Garching, Germany.
authors.forename: Sylvia
authors.initials: S
authors.lastname: Grosse
authors.affiliation: Bavarian Environment Agency, Bürgermeister-Ulrich-Str. 160, 86179 Augsburg, Germany.
authors.forename: Walter
authors.initials: W
authors.lastname: Schüssler
authors.affiliation: Bavarian Environment Agency, Bürgermeister-Ulrich-Str. 160, 86179 Augsburg, Germany. Electronic address: manfred.sengl@lfu.bayern.de.
authors.forename: Manfred
authors.initials: M
authors.lastname: Sengl
authors.affiliation: Bavarian Environment Agency, Bürgermeister-Ulrich-Str. 160, 86179 Augsburg, Germany.
authors.forename: Marion
authors.initials: M
authors.lastname: Letzel
mesh_terms: D047228:Angiotensin II Type 1 Receptor Blockers / Q000032:analysis* / Q000737:chemistry; D001562:Benzimidazoles / Q000032:analysis / Q000737:chemistry; D001713:Biphenyl Compounds / Q000032:analysis / Q000737:chemistry; D002853:Chromatography, Liquid / Q000379:methods*; D004784:Environmental Monitoring / Q000379:methods* / Q000592:standards; D007093:Imidazoles / Q000032:analysis / Q000737:chemistry; D000077405:Irbesartan; D007753:Laboratories / Q000592:standards; D013058:Mass Spectrometry / Q000379:methods*; D013777:Tetrazoles / Q000032:analysis / Q000737:chemistry; D062065:Wastewater / Q000032:analysis* / Q000737:chemistry; D014874:Water Pollutants, Chemical / Q000032:analysis* / Q000737:chemistry; D018508:Water Purification; D057188:Workflow
chemical_list: D047228:Angiotensin II Type 1 Receptor Blockers; D001562:Benzimidazoles; D001713:Biphenyl Compounds; D007093:Imidazoles; D000077405:Irbesartan; D013777:Tetrazoles; D062065:Wastewater; D014874:Water Pollutants, Chemical; C437965:olmesartan; C081643:candesartan
keywords: Classification; Non-target screening; Pharmaceuticals; Sartans; Suspected-target screening; Transformation products