Publikation:
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

dc.contributor.authorNeuwald, Isabelle
dc.contributor.authorKuckelkorn, Jochen
dc.contributor.authorMuschket, Matthias
dc.contributor.authorZahn, Daniel
dc.contributor.authorStrobel, Claudia
dc.date.accessioned2024-06-16T13:29:14Z
dc.date.available2024-06-16T13:29:14Z
dc.date.issued2021
dc.description.abstractPersistent 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. © 2021 Published by Elsevier Ltd.en
dc.format.extent1 Onlineresource (12 pages)
dc.format.mediumonline resource
dc.identifier.doihttps://doi.org/10.60810/openumwelt-1858
dc.identifier.urihttps://openumwelt.de/handle/123456789/3054
dc.language.isoeng
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/
dc.subjectAbwasser
dc.subjectGrundwasser
dc.subjectTrinkwasser
dc.subjectWasserkreislauf
dc.titleFilling the knowledge gap: A suspect screening study for 1310 potentially persistent and mobile chemicals with SFC- and HILIC-HRMS in two German river systems
dc.typeWissenschaftlicher Artikel
dc.type.dcmitext
dc.type.mediumcomputer
dspace.entity.typePublication
local.bibliographicCitation.journalTitleWater Research
local.bibliographicCitation.originalDOI10.1016/j.watres.2021.117645
local.bibliographicCitation.volume204 (2021)
local.collectionAufsätze
local.contributor.authorId02188979
local.contributor.authorId02188980
local.contributor.authorId02188981
local.contributor.authorId(DE-588)116794903X
local.identifier.catalogId02487851
local.ingest.leader06280naa a2200000uu 4500
local.jointTitleFILLING THE KNOWLEDGE GAP A SUSPECT SCREENING STUDY FOR 1310 POTENTIALLY PERSISTENT AND MOBILE CHEMICALS WITH SFC AND HILICHRMS IN TWO GERMAN RIVER SYSTEMS
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