Quantitative target and systematic non-target analysis of polar organic micro-pollutants along the river Rhine using high-resolution mass-spectrometry – Identification of unknown sources and compounds

Ruff, Matthias; Mueller, Miriam S.; Loos, Martin; Singer, Heinz

doi:10.1016/j.watres.2015.09.017

Cited by 218 publications

(178 citation statements)

References 32 publications

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“…16,25,26 Strategies have also been developed to assist and simplify the detection of TPs directly in natural waters and wastewater, based on the use of characteristic fragmentation 27,28 or mass defect ltering. 29 Such applications mostly contribute with information on the occurrence of TPs 18,25 likely formed under the conditions during conventional wastewater treatment processes and emitted directly from the WWTPs. 7 However, there is less information available on TPs that are formed in natural waters aer discharge of their PCs.…”

Section: Introductionmentioning

confidence: 99%

A strategic screening approach to identify transformation products of organic micropollutants formed in natural waters

Kaserzon

Plassmann

et al. 2017

Environ. Sci.: Processes Impacts

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Many transformation products (TPs) from organic micropollutants are not included in routine environmental monitoring programs due to limited knowledge of their occurrence and fate. An efficient method to identify and prioritize critical compounds in terms of environmental relevance is needed. In this study, we applied a strategic screening approach based on a case-control concept to identify TPs formed along wastewater-impacted rivers. Time-integrated samples were collected over one week at both ends of a river stretch downstream of a wastewater treatment plant (WWTP) outfall and were analyzed by ultrahigh performance liquid chromatography interfaced with quadrupole time-of-flight mass spectrometry (UHPLC-QToF-MS/MS). The screening procedure of the high-resolution MS (HRMS) datasets consisted of three major steps: (i) screening for parent compounds (PCs) attenuated along the stretch; (ii) prediction of potential TPs from these PCs; and (iii) screening for TPs from this list with an increasing trend along the stretch. In total, 32 PCs decreased along the investigated river stretches. From these PCs, eight TPs had increasing concentrations along the studied stretches and could be tentatively identified. The identification of one TP (benzamide) was confirmed by its corresponding reference standard, while no standards were available for the remaining TPs. Environmental impactOrganic micropollutants are continuously discharged from wastewater treatment plants into receiving aquatic systems where they undergo further transformation. The number of unknown transformation products is large; hence prioritizations for analysis and risk assessment are needed. We established a strategic screening approach to identify micropollutant transformation products formed in wastewater-impacted rivers. The essential case-control concept effectively allocates attenuating parent micropollutants and transformation products generated in situ. Our screening concept can be applied in process-oriented studies at both laboratory and eld scale to identify unknown transformation products prioritized for further investigation. EU chemical legislation calls for hazard assessments of formed transformation products, when motivated. The concept presented in this study can help to identify such transformation products, and thereby contribute to a more comprehensive risk assessment for parent chemicals.

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Section: Introductionmentioning

confidence: 99%

A strategic screening approach to identify transformation products of organic micropollutants formed in natural waters

Kaserzon

Plassmann

et al. 2017

Environ. Sci.: Processes Impacts

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“…Numerous applications can be found in the literature, often combining quantitative determination with an additional qualitative screening in one analysis [e.g. [11][12][13][14][15][16][17][18][19][20].…”

Section: Introductionmentioning

confidence: 99%

Evaluation of gas chromatography – electron ionization – full scan high resolution Orbitrap mass spectrometry for pesticide residue analysis

Mol

Tienstra

Zomer

2016

Analytica Chimica Acta

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“…However, many examples demonstrate already the new opportunities created by HRMS use, including time and spatial trend analysis, even retrospectively, of features, process evaluation, and similarity analyses. For example, use of HRMS-based analytical methods may eventually lead to the detection and identification of so far unknown pollutants of relevance, as demonstrated for the river Rhine, where industrial emissions into the river or its tributaries were shown for the pharmaceutical tizanidine [28] and quaternary triphenylphosphonium compounds [29]. Further prospects of nontarget screening were discussed recently by Hollender et al [30].…”

Section: Measuring the Unknownmentioning

confidence: 99%

Recent trends in water analysis triggering future monitoring of organic micropollutants

Schmidt

2018

Anal Bioanal Chem

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Water analysis has been an important area since the beginning of analytical chemistry. The focus though has shifted substantially: from minerals and the main constituents of water in the time of Carl Remigius Fresenius to a multitude of, in particular, organic compounds at concentrations down to the sub-nanogram per liter level nowadays. This was possible only because of numerous innovations in instrumentation in recent decades, drivers of which are briefly discussed. In addition to the high demands on sensitivity, high throughput by automation and short analysis times are major requirements. In this article, some recent developments in the chemical analysis of organic micropollutants (OMPs) are presented. These include the analysis of priority pollutants in whole water samples, extension of the analytical window, in particular to encompass highly polar compounds, the trend toward more than one separation dimension before mass spectrometric detection, and ways of coping with unknown analytes by suspect and nontarget screening approaches involving high-resolution mass spectrometry. Furthermore, beyond gathering reliable concentration data for many OMPs, the question of the relevance of such data for the aquatic system under scrutiny is becoming ever more important. To that end, effect-based analytics can be used and may become part of future routine monitoring, mostly with a focus on adverse effects of OMPs in specific test systems mimicking environmental impacts. Despite advances in the field of water analysis in recent years, there are still many challenges for further analytical research. Graphical abstractRecent trends in water analysis of organic micropollutants that open new opportunities in future water monitoring. HRMS high-resolution mass spectrometry, PMOC persistent mobile organic compounds

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Quantitative target and systematic non-target analysis of polar organic micro-pollutants along the river Rhine using high-resolution mass-spectrometry – Identification of unknown sources and compounds

Cited by 218 publications

References 32 publications

A strategic screening approach to identify transformation products of organic micropollutants formed in natural waters

A strategic screening approach to identify transformation products of organic micropollutants formed in natural waters

Evaluation of gas chromatography – electron ionization – full scan high resolution Orbitrap mass spectrometry for pesticide residue analysis

Recent trends in water analysis triggering future monitoring of organic micropollutants

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