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

Neuwald, Isabelle J.; Muschket, Matthias; Zahn, Daniel; Berger, Urs; Seiwert, Bettina; Meier, Till; Kuckelkorn, Jochen; Strobel, Claudia; Knepper, Thomas P.; Reemtsma, Thorsten

doi:10.1016/j.watres.2021.117645

Cited by 72 publications

(64 citation statements)

References 52 publications

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“…Recent developments in analytical chemistry make it possible to measure a very wide range of IOC in environmental samples. 5 , 64 These measurements may aid future model developments and allocation of IOC to substance classes with different environmental behavior.…”

Section: Moving Forwardmentioning

confidence: 99%

“…4 A recent screening for persistent, mobile (PM), and vPvM compounds in surface water underlines the importance of IOC, as 85% of the identified compounds were expected to be charged at environmental pH. 5 What distinguishes IOC from well-studied neutral organic compounds is that their sorption behavior, and consequently, their mobility in the environment, depends, often dramatically, on the local pH, water hardness, and mineral composition of soils or sediments. Therein, IOC sorption, but also bioaccumulation, 6 and ecotoxicity 7 strongly differ between uncharged neutral, negatively charged, positively charged, and zwitterionic species.…”

mentioning

confidence: 99%

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Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment

Sigmund

Arp

Aumeier

et al. 2022

Environ. Sci. Technol.

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Permanently charged and ionizable organic compounds (IOC) are a large and diverse group of compounds belonging to many contaminant classes, including pharmaceuticals, pesticides, industrial chemicals, and natural toxins. Sorption and mobility of IOCs are distinctively different from those of neutral compounds. Due to electrostatic interactions with natural sorbents, existing concepts for describing neutral organic contaminant sorption, and by extension mobility, are inadequate for IOC. Predictive models developed for neutral compounds are based on octanol–water partitioning of compounds ( K ow ) and organic-carbon content of soil/sediment, which is used to normalize sorption measurements ( K OC ). We revisit those concepts and their translation to IOC ( D ow and D OC ) and discuss compound and soil properties determining sorption of IOC under water saturated conditions. Highlighting possible complementary and/or alternative approaches to better assess IOC mobility, we discuss implications on their regulation and risk assessment. The development of better models for IOC mobility needs consistent and reliable sorption measurements at well-defined chemical conditions in natural porewater, better IOC-, as well as sorbent characterization. Such models should be complemented by monitoring data from the natural environment. The state of knowledge presented here may guide urgently needed future investigations in this field for researchers, engineers, and regulators.

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Section: Moving Forwardmentioning

confidence: 99%

mentioning

confidence: 99%

Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment

Sigmund

Arp

Aumeier

et al. 2022

Environ. Sci. Technol.

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“…As in the case of extraction protocol, to cover the highest number of analytes, different chromatographic modes were tested, including supercritical fluid chromatography (SFC), mixed-mode chromatography (MMLC), and reversed-phase chromatography (RPLC). As suggested in other works [3,6], SFC should provide good results in terms of the number of chemicals that could be detected; however, when the extracts of OASIS WCX and WAX cartridges were injected, many problems of clogging and overpressure were detected, probably due to salts precipitation under supercritical conditions. Thus, SFC was discarded in this work.…”

Section: Sample Preparation and Analytical Considerationsmentioning

confidence: 77%

“…This was proposed as the best combination when SFC is unavailable [6]. Although hydrophilic interaction chromatography (HILIC) was also explored by other authors [3,22], it was not included in this work.…”

Section: Sample Preparation and Analytical Considerationsmentioning

confidence: 99%

“…As such, in prior years, screening approaches based on liquid chromatography-high resolution mass spectrometry (LC-HRMS) have been developed and applied for the identification of CECs. These approaches allowed researchers to detect a broader range of compounds present in surface water [3][4][5][6]. Among these different approaches, suspect screening has the advantage of being comparatively simpler than non-target strategies.…”

Section: Introductionmentioning

confidence: 99%

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Screening of Contaminants of Emerging Concern in Surface Water and Wastewater Effluents, Assisted by the Persistency-Mobility-Toxicity Criteria

et al. 2022

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Contaminants of emerging concern (CECs) are compounds of diverse origins that have not been deeply studied in the past which are now accruing growing environmental interest. The NOR-Water project aimed to identify the main CECs and their sources in the water environment of Northern Portugal–Galicia (located in northwest Spain) transnational region. To achieve these goals, a suspect screening analytical methodology based on the use of liquid chromatography coupled to high resolution mass spectrometry (LC-HRMS) was applied to 29 sampling sites in two campaigns. These sampling sites included river and sea water, as well as treated wastewater. The screening was driven by a library of over 3500 compounds, which included 604 compounds prioritized from different relevant lists on the basis of the persistency, mobility, and toxicity criteria. Thus, a total of 343 chemicals could be tentatively identified in the analyzed samples. This list of 343 identified chemicals was submitted to the classification workflow used for prioritization and resulted in 153 chemicals tentatively classified as persistent, mobile, and toxic (PMT) and 23 as very persistent and very mobile (vMvP), pinpointing the relevance of these types of chemicals in the aqueous environment. Pharmaceuticals, such as the antidepressant venlafaxine or the antipsychotic sulpiride, and industrial chemicals, especially high production volume chemicals (HPVC) such as ε-caprolactam, were the groups of compounds that were detected at the highest frequencies.

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Enabling Sustainable Chemistry with Ionic Liquids and Deep Eutectic Solvents: A Fad or the Future?

et al. 2022

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Ionic liquids (ILs) and deep eutectic solvents (DESs) debuted with a promise of a superior sustainability footprint due to their low vapor pressure. However, their toxicity and high cost compromise this footprint, impeding their real‐world applications. Fortunately, their property tunability through a rational selection of precursors, including bioderived ones, provides a strategy to ameliorate toxicity, lower cost, and endow new functions. This Review discusses whether ILs and DESs are sustainable solvents and how they contribute to sustainable chemical processes.

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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

Cited by 72 publications

References 52 publications

Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment

Sorption and Mobility of Charged Organic Compounds: How to Confront and Overcome Limitations in Their Assessment

Screening of Contaminants of Emerging Concern in Surface Water and Wastewater Effluents, Assisted by the Persistency-Mobility-Toxicity Criteria

Enabling Sustainable Chemistry with Ionic Liquids and Deep Eutectic Solvents: A Fad or the Future?

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