| 1. |
- Ahrens,, Lutz, et al.
(författare)
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Screening av PFAS i grund- och ytvatten
- 2016
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Rapport (övrigt vetenskapligt/konstnärligt)abstract
- Levels of 26 per- and polyfluoroalkyl substances (PFASs) were measured in 502 water samples originat-ing from Swedish groundwater, surface water, sewage treatment plant (STP) effluents and landfill leachates. In drinking water source areas, the average Σ26PFAS concentration was 8.4 ng L-1. The national drinking water guideline value of 90 ng L-1 for Σ7PFASs was exceeded in 2% of these samples. In water not used for drinking water, Σ26PFASs average concentration was 142 ng L-1. PFOS concentra-tions exceeded the Annual Average Environmental Quality Standard (AA-EQS) of the EU Water Frame-work Directive in 42% of the surface water samples. Among the different water categories, the landfill leachates had the highest average concentration of Σ26PFAS with 487 ng L-1, followed by surface water (average 112 ng L-1), groundwater (49 ng L-1), STP effluents (35 ng L-1) and background screening lakes (3.4 ng L-1). The composition profile of the PFASs differed between the types of waters showing an even distribution of ΣPFCAs, ΣPFSAs and ΣPFAS precursors in groundwater, whereas in all other water categories, ΣPFCAs were dominant. As FOSA, PFNA, PFDA, and 6:2 FTSA were frequently detected in drinking water source areas (constituted 20%, 7.3%, 5.9%, and 4.4% of the Σ26PFASs, respectively), it is reasonable to consider the inclusion of these in the Swedish drinking water guideline.
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| 2. |
- Ahrens, Lutz, et al.
(författare)
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Screening of PFASs in groundwater and surface water
- 2016
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Rapport (övrigt vetenskapligt/konstnärligt)abstract
- Per- and polyfluoroalkyl substances (PFASs) are emerging organic pollutants characterized by their persistency, and bioaccumulation and toxicity potential. In this study, 26 PFASs were screened in 502 water samples originating from Swedish groundwater, surface water, sewage treatment plant (STP) effluents and landfill leachates. The objectives were to establish baseline concentrations of PFASs in the aquatic environment, to screen for potential sources, and to compare PFAS concentrations with guideline values for estimation of potential effects on the ecosystem and human health. In drinking water source areas, the average ∑26PFAS concentration was 8.4 ng L-1 with a median value of 0.6 ng L-1 (n = 172). The drinking water guideline value of 90 ng L-1 for ∑7PFASs (PFPeA, PFHxA, PFHpA, PFOA, PFBS, PFHxS, PFOS) established by the Swedish National Food Agency was exceeded in 4 samples (2% of the total number of samples in this category). In water not used for drinking water, ∑26PFASs concentrations were on average 142 ng L-1 (median 5.4 ng L-1). The high average PFAS concentrations can be explained by the fact that some samples showed extremely high PFAS concentrations with a maximum ∑26PFASs value of 12 900 ng L-1. In surface water, PFOS concentrations exceeded the annual average Environmental Quality Standard (AA-EQS) of the EU Water Framework Directive (WFD) in 42% of the samples. Among the different water categories, the landfill leachates had the highest average concentration of ∑26PFAS with 487 ng L-1 (median 435 ng L-1, n = 10), followed by surface water (average 112 ng L-1, median 4.1 ng L-1, n = 285), groundwater (average 49 ng L-1, median 0.4 ng L-1, n = 164), STP effluents (average 35 ng L-1, median 26 ng L-1; n = 13) and background screening lakes (remote lakes; average 3.4 ng L-1, median 1.4 ng L-1, n = 10). The composition profile of the PFASs differed between the types of waters showing an even distribution of ∑PFCAs, ∑PFSAs and ∑PFAS precursors in groundwater, whereas in all other water categories (surface water, background lakes, STP effluents and landfill leachates), ∑PFCAs were dominant. As FOSA, PFNA, PFDA, and 6:2 FTSA were frequently detected in drinking water source areas (constituted 20%, 7.3%, 5.9%, and 4.4% of the ∑26PFASs, respectively), it is reasonable to consider the inclusion of these in the Swedish drinking water guideline.
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| 3. |
- Dürig, Wiebke, et al.
(författare)
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Application of a novel prioritisation strategy using non-target screening for evaluation of temporal trends (1969-2017) of contaminants of emerging concern (CECs) in archived lynx muscle tissue samples
- 2022
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Ingår i: Science of the Total Environment. - : Elsevier BV. - 0048-9697 .- 1879-1026. ; 817
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Tidskriftsartikel (refereegranskat)abstract
- Most environmental monitoring studies of contaminants of emerging concern (CECs) focus on aquatic species and target specific classes of CECs. Even with wide-scope target screening methods, relevant CECs may be missed. In this study, non-target screening (NTS) was used for tentative identification of potential CECs in muscle tissue of the terrestrial top predator Eurasian lynx (Lynx lynx). Temporal trend analysis was applied as a prioritisation tool for archived samples, using univariate statistical tests (Mann-Kendall and Spearman rank). Pooled lynx muscle tissue collected from 1969 to 2017 was analysed with an eight-point time series using a previously validated screening workflow. Following peak detection, peak alignment, and blank subtraction, 12,941 features were considered for statistical analysis. Prioritisation by time-trend analysis detected 104 and 61 features with statistically significant increasing and decreasing trends, respectively. Following probable molecular formula assignment and elucidation with MetFrag, two compounds with increasing trends, and one with a decreasing trend, were tentatively identified. These results show that, despite low expected concentration levels and high matrix effects in terrestrial species, it is possible to prioritise CECs in archived lynx samples using NTS and univariate statistical approaches.
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| 4. |
- Dürig, Wiebke, et al.
(författare)
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Development of a suspect screening prioritization tool for organic compounds in water and biota
- 2019
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Ingår i: Chemosphere. - : Elsevier. - 0045-6535 .- 1879-1298. ; 222, s. 904-912
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Tidskriftsartikel (refereegranskat)abstract
- A customizable in silico tool (SusTool) for generating high resolution mass spectrometry (HRMS) suspect screening lists, specifically designed for the detection of hazardous organic compounds in various environmental compartments, was created. A database consisting of similar to 32 000 environmentally relevant organic compounds was constructed, including data on their physicochemical properties, environmental fate characteristics, and endocrine disruption potential, along with emissions and quantity indices. Welldefined customized suspect lists were generated by systematic ranking using a scoring and weighting procedure. For demonstration purposes, three suspect screening lists were created, one for water (SLWater) and two for biota covering less (SLBiota Kow<5 ) or more hydrophobic chemicals (SLBiota Kow>3). Scrutiny of overlaps between compounds within these lists and the SusDat database (20 suspect lists comprising similar to 58 000 compounds compiled by the Norman network) showed that approximately half of the compounds in the three suspect lists were also listed in one of the SusDat database lists. This indicates that SusTool is able to include highly relevant emerging pollutants, but also captures other compounds of potential concern that have been less well studied or not yet investigated. Overall, our in silico prioritization approach enables systematic creation of suspect screening lists and provides new opportunities for suspect screening for environmentally relevant compounds.
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| 5. |
- Dürig, Wiebke, et al.
(författare)
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Novel prioritisation strategies for evaluation of temporal trends in archived white-tailed sea eagle muscle tissue in non-target screening
- 2022
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Ingår i: Journal of Hazardous Materials. - : Elsevier BV. - 0304-3894 .- 1873-3336. ; 424
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Tidskriftsartikel (refereegranskat)abstract
- Environmental monitoring studies based on target analysis capture only a small fraction of contaminants of emerging concern (CECs) and miss pollutants potentially harmful to wildlife. Environmental specimen banks, with their archived samples, provide opportunities to identify new CECs by temporal trend analysis and nontarget screening. In this study, archived white-tailed sea eagle (Haliaeetus albicilla) muscle tissue was analysed by non-targeted high-resolution mass spectrometry. Univariate statistical tests (Mann-Kendall and Spearman rank) for temporal trend analysis were applied as prioritisation methods. A workflow for non-target data was developed and validated using an artificial time series spiked at five levels with gradient concentrations of selected CECs (n = 243). Pooled eagle muscle tissues collected 1965-2017 were then investigated with an eightpoint time series using the validated screening workflow. Following peak detection, peak alignment, and blank subtraction, 14 409 features were considered for statistical analysis. Prioritisation by time-trend analysis detected 207 features with increasing trends. Following unequivocal molecular formula assignment to prioritised features and further elucidation with MetFrag and EU Massbank, 13 compounds were tentatively identified, of which four were of anthropogenic origin. These results show that it is possible to prioritise new CECs in archived biological samples using univariate statistical approaches.
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| 6. |
- Dürig, Wiebke, et al.
(författare)
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What is in the fish? Collaborative trial in suspect and non-target screening of organic micropollutants using LC- and GC-HRMS
- 2023
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Ingår i: Environment International. - : Elsevier. - 0160-4120 .- 1873-6750. ; 181
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Tidskriftsartikel (refereegranskat)abstract
- A collaborative trial involving 16 participants from nine European countries was conducted within the NORMAN network in efforts to harmonise suspect and non-target screening of environmental contaminants in whole fish samples of bream (Abramis brama). Participants were provided with freeze-dried, homogenised fish samples from a contaminated and a reference site, extracts (spiked and non-spiked) and reference sample preparation protocols for liquid chromatography (LC) and gas chromatography (GC) coupled to high resolution mass spectrometry (HRMS). Participants extracted fish samples using their in-house sample preparation method and/or the protocol provided. Participants correctly identified 9–69 % of spiked compounds using LC-HRMS and 20–60 % of spiked compounds using GC-HRMS. From the contaminated site, suspect screening with participants’ own suspect lists led to putative identification of on average ∼145 and ∼20 unique features per participant using LC-HRMS and GC-HRMS, respectively, while non-target screening identified on average ∼42 and ∼56 unique features per participant using LC-HRMS and GC-HRMS, respectively. Within the same sub-group of sample preparation method, only a few features were identified by at least two participants in suspect screening (16 features using LC-HRMS, 0 features using GC-HRMS) and non-target screening (0 features using LC-HRMS, 2 features using GC-HRMS). The compounds identified had log octanol/water partition coefficient (KOW) values from −9.9 to 16 and mass-to-charge ratios (m/z) of 68 to 761 (LC-HRMS and GC-HRMS). A significant linear trend was found between log KOW and m/z for the GC-HRMS data. Overall, these findings indicate that differences in screening results are mainly due to the data analysis workflows used by different participants. Further work is needed to harmonise the results obtained when applying suspect and non-target screening approaches to environmental biota samples.
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| 7. |
- Dürig, Wiebke
(författare)
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Wide-scope screening for contaminants of emerging concern in archived biota: Method development, suspect prioritisation, and non-target screening in a novel identification tool
- 2021
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- Environmental monitoring of hazardous chemicals in wildlife conventionally uses target screening for selected contaminants, but relatively few contaminants are moni-tored and knowledge of potentially hazardous contaminants of emerging concern (CECs) in wildlife is lacking. In this thesis, a non-target screening (NTS) method com-bined with temporal trend analysis was developed and applied as a prioritisation tool for identification of CECs in top predators, using high-resolution mass spectrometry (HRMS). A multi-residue sample extraction and HRMS screening method was devel-oped and validated for various biota tissue types and species, to capture chemicals with a broad range of physiochemical properties (Paper I). Minimised sample pre-treatment and clean-up resulted in a non-specific extraction method for NTS in biota. A tool for creating suspect lists for screening of CECs in biota was developed based on an exten-sive database of chemicals (Paper II). Systematic ranking of chemicals based on rele-vant physicochemical properties was used to prioritize CECs relevant for biota and water. Finally, a NTS workflow was developed for prioritizing CECs in time series of archived biological tissue of top predators. The samples included time series of muscle tissue from white-tailed sea eagle (Haliaeetus albicilla) (1965-2017) and Eurasian lynx (Lynx lynx) (1969-2017) obtained from the environmental specimen bank (ESB) at the Swedish Museum of Natural History (SMNH). The prioritisation method was validated with an artificial time series using spiked matrix samples of increasing concentrations (Paper III). A total of 14 compounds (six of anthropogenic origin) with increasing time trends were tentatively identified in white-tailed sea eagle samples, while two com-pounds with increasing time trends and one compound with a decreasing time trend were tentatively identified in lynx samples (Paper IV). The tentatively identified com-pounds originated from different chemical categories (pharmaceuticals, personal care products, industrial chemicals, herbicides). These results showed that, despite the high matrix effect and low expected concentrations in terrestrial species (lynx), it was possi-ble to tentatively identify new CECs in wildlife. The novel prioritisation strategy and NTS workflow developed in this thesis can provide a useful tool for future identifica-tion of CECs in biota. The overall findings can help government agencies expand their monitoring programmes for identification of CECs in biota.
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| 8. |
- Gobelius, Laura, et al.
(författare)
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Per- and Polyfluoroalkyl Substances in Swedish Groundwater and Surface Water: Implications for Environmental Quality Standards and Drinking Water Guidelines
- 2018
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Ingår i: Environmental Science and Technology. - : American Chemical Society (ACS). - 0013-936X .- 1520-5851. ; 52, s. 4340-4349
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Tidskriftsartikel (refereegranskat)abstract
- The aim of this study was to assess per- and polyfluoroalkyl substances (PFASs) in the Swedish aquatic environment, identify emission sources, and compare measured concentrations with environmental quality standards (EQS) and (drinking) water guideline values. In total, 493 samples were analyzed in 2015 for 26 PFASs (Sigma(26)PFASs) in surface water, groundwater, landfill leachate, sewage treatment plant effluents and reference lakes, focusing on hot spots and drinking water sources. Highest Sigma(26)PFAS concentrations were detected in surface water (13 000 ng L-1) and groundwater (6400 ng L-1). The dominating fraction of PFASs in surface water were perfluoroalkyl carboxylates (PFCAs; 64% of Sigma(26)PFASs), with high contributions from C-4-C-8 PFCAs (94% of Sigma PFCAs), indicating high mobility of shorter chain PFCAs. In inland surface water, the annual average (AA)-EQS of the EU Water Framework Directive of 0.65 ng L-1 for Sigma PFOS (linear and branched isomers) was exceeded in 46% of the samples. The drinking water guideline value of 90 ng L-1 for Sigma(11)PFASs recommended by the Swedish EPA was exceeded in 3% of the water samples from drinking water sources (n = 169). The branched isomers had a noticeable fraction in surface- and groundwater for perfluorooctanesulfonamide, perfluorohexanesulfonate, and perfluorooctanesulfonate, highlighting the need to include branched isomers in future guidelines.
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| 9. |
- Golovko, Oksana, et al.
(författare)
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New extraction method prior to screening of organic micropollutants in various biota matrices using liquid chromatography coupled to high-resolution time-of-flight mass spectrometry
- 2020
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Ingår i: Talanta. - : Elsevier BV. - 0039-9140 .- 1873-3573. ; 219
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Tidskriftsartikel (refereegranskat)abstract
- A new extraction method with limited clean-up requirements prior to screening various matrices for organic micropollutants using liquid chromatography-high resolution mass spectrometry (LC-HRMS) for analysis was developed. First, the performance of three extraction methods (QuEChERS with SPE clean-up, ultrasonication with SPE clean-up, extraction without SPE clean-up) was tested, optimized, and compared using > 200 contaminants of emerging concern (CECs) together covering a wide range of physicochemical properties applicable for suspect and non-target screening in biota. White-tailed sea eagle (Haliaeetus albicilla) muscle tissue was used in method development and optimization. The method without SPE clean-up was then applied to European perch (Perca fluviatilis) muscle, heart, and liver tissues. The optimization and application of the method demonstrated a wide applicable domain of the novel extraction method regarding species, tissues, and chemicals. For future applications, the suitability of the method for suspect and non-target screening was tested. Overall, our extraction method appears to be sufficiently simple and broad (relatively non-discriminant) for use prior to analysis of CECs in various biota.
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| 10. |
- Jonsson, Ove, et al.
(författare)
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TIMFIE-provtagning för tidsintegrerad haltbestämning av växtskyddsmedel, PFAS, läkemedel och metaller i ytvatten : En pilotstudie
- 2022
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Rapport (övrigt vetenskapligt/konstnärligt)abstract
- TIMFIE (Time Integrating, Micro Flow, In situ Extraction) är en enkel och billig tidsintegrerad provtagningsmetod som här användes för bestämning av ett stort antal organiska ämnen från vitt skilda substansgrupper. Tekniken bygger på kontinuerlig fastfasextraktion i fält under en till två veckor och den efterföljande bestämningen av organiska ämnen är kvantitativ och baseras på helvatten, dvs. med partikelbunden fraktion inkluderad.Förutom organiska ämnen som växtskyddsmedel, PFAS och läkemedel mättes i detta projekt även metallhalter och löst organiskt kol (DOC) i det uppsamlade, filtrerade vattnet. Merparten av de studerade metallerna och DOC påverkades dock negativt av fastfaskolonnerna som används för extraktion av de organiska ämnena. En separat TIMFIE utan kolonner ska därför användas vid bestämning av metaller. En fältstudie med veckovisa TIMFIE-provtagningar i tolv provpunkter fördelade på fem regioner utfördes i samarbete med länsstyrelserna i Gotland, Östergötland och Dalarna samt med en avfallsanläggning i Mälardalen. Totalt analyserades 47 TIMFIE-prover för drygt 200 organiska ämnen och 21 metaller, samt ytterligare 8 TIMFIE-prover endast för metaller.I framtiden kommer två olika TIMFIE-provtagare att användas i studier där både organiska och oorganiska ämnen bestäms. Fortsatt arbete med att även inkludera näringsämnen i det oorganiska analyspaketet pågår och möjligheten att göra dessa bestämningar på ett återskapat helvatten undersöks.
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