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  • 1.
    Badea, Silviu
    et al.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Lundstedt, Staffan
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Tysklind, Mats
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    The influence of soil composition on the leachability of selected hydrophobic organic compounds (HOCs) from soils using a batch leaching test2013Ingår i: Journal of Hazardous Materials, ISSN 0304-3894, E-ISSN 1873-3336, Vol. 254, s. 26-35Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The influence of soil composition (peat and clay content) on the leachability was investigated in batch leaching experiments for chemically diverse hydrophobic organic compounds (HOCs: PCP, PAHs, HCB, HCHs, PCBs, and TCDD/Fs). An experimental design was applied to generate 8 diverse soil matrices, and the results were evaluated by orthogonal projections to latent structures (OPLS), as well as compound specific response surface models. Overall, the distribution coefficients (log Kd) of model HOCs were in the range of approx. 2.0–5.7. The Kd-values of HCHs, phenanthrene and PCP were positively correlated with the peat content. Kd-values of benzo(a)anthracene, HCB, and PCB 47 were positively correlated with both peat and clay content. The Kd-values of 1,3,6,8-TCDD and 1,3,6,8-TCDF were positively correlated with peat content but negatively correlated with clay content, while for PCB 153 and PCB 155 the correlations were reversed. The correlation between the Kd-values and the compounds’ Kow-values was linearly for compounds with log Kow <6. For HOCs with log Kow > 6, the Kd-values were leveling off, possibly due to small particles in the leachates. Our study demonstrated how complex interaction between both the organic matter and clay components influences the leachability of HOCs in a compound-specific manner.

  • 2.
    Badea, Silviu-Laurentiu
    et al.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Lundstedt, Staffan
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Tysklind, Mats
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Assessment of the release of organic contaminants from soil using a batch leaching test2010Konferensbidrag (Refereegranskat)
  • 3.
    Bidleman, Terry F.
    et al.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Agosta, Kathleen
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Andersson, Agneta
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap.
    Haglund, Peter
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Hegmans, Alyse
    Jantunen, Liisa M.
    Nygren, Olle
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Poole, Justen
    Ripszam, Matyas
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Tysklind, Mats
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Sea-air exchange of bromoanisoles and methoxylated bromodiphenylethers in the Northern Baltic2016Ingår i: Marine Pollution Bulletin, ISSN 0025-326X, E-ISSN 1879-3363, Vol. 112, nr 1-2, s. 58-64Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Halogenated natural products in biota of the Baltic Sea include bromoanisoles (BAs) and methoxylated bromodiphenyl ethers (MeO-BDEs). We identified biogenic 6-MeO-BDE47 and 2'-MeO-BDE68 in Baltic water and air for the first time using gas chromatography - high resolution mass spectrometry. Partial pressures in air were related to temperature by: log p/Pa=m/T(K)+b. We determined Henry's law constants (HLCs) of 2,4-dibromoanisole (2,4-DiBA) and 2,4,6-tribromoanisole (2,4,6-TriBA) from 5 to 30°C and revised our assessment of gas exchange in the northern Baltic. The new water/air fugacity ratios (FRs) were lower, but still indicated net volatilization in May-June for 2,4-DiBA and May - September for 2,4,6-TriBA. The net flux (negative) of BAs from Bothnian Bay (38,000km2) between May - September was revised from -1319 to -532kg. FRs of MeO-BDEs were >1, suggesting volatilization, although this is tentative due to uncertainties in their HLCs and binding to dissolved organic carbon.

  • 4.
    Bidleman, Terry F.
    et al.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Andersson, Agneta
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap. Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Umeå marina forskningscentrum (UMF).
    Brugel, Sonia
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap. Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Umeå marina forskningscentrum (UMF).
    Ericson, Lars
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap.
    Haglund, Peter
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Kupryianchyk, Darya
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Lau, Danny C. P.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Lundin, Lisa
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Tysklind, Anders
    Tysklind, Mats
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Bromoanisoles and Methoxylated Bromodiphenyl Ethers in Macroalgae from Nordic Coastal Regions2019Ingår i: Environmental Science: Processes & Impacts, ISSN 2050-7887, E-ISSN 2050-7895, s. 881-892Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Marine macroalgae are used worldwide for human consumption, animal feed, cosmetics and agriculture. In addition to beneficial nutrients, macroalgae contain halogenated natural products (HNPs), some of which have toxic properties similar to those of well-known anthropogenic contaminants. Sixteen species of red, green and brown macroalgae were collected in 2017–2018 from coastal waters of the northern Baltic Sea, Sweden Atlantic and Norway Atlantic, and analyzed for bromoanisoles (BAs) and methoxylated bromodiphenyl ethers (MeO-BDEs). Target compounds were quantified by gas chromatography-low resolution mass spectrometry (GC-LRMS), with qualitative confirmation in selected species by GC-high resolution mass spectrometry (GC-HRMS). Quantified compounds were 2,4-diBA, 2,4,6-triBA, 2′-MeO-BDE68, 6-MeO-BDE47, and two tribromo-MeO-BDEs and one tetrabromo-MeO-BDE with unknown bromine substituent positions. Semiquantitative results for pentabromo-MeO-BDEs were also obtained for a few species by GC-HRMS. Three extraction methods were compared; soaking in methanol, soaking in methanol–dichloromethane, and blending with mixed solvents. Extraction yields of BAs did not differ significantly (p > 0.05) with the three methods and the two soaking methods gave equivalent yields of MeO-BDEs. Extraction efficiencies of MeO-BDEs were significantly lower using the blend method (p < 0.05). For reasons of simplicity and efficiency, the soaking methods are preferred. Concentrations varied by orders of magnitude among species: ∑2BAs 57 to 57 700 and ∑5MeO-BDEs < 10 to 476 pg g−1 wet weight (ww). Macroalgae standing out with ∑2BAs >1000 pg g−1 ww were Ascophyllum nodosumCeramium tenuicorneCeramium virgatumFucus radicansFucus serratusFucus vesiculosusSaccharina latissimaLaminaria digitata, and Acrosiphonia/Spongomorpha sp. Species A. nodosumC. tenuicorneChara virgataF. radicans and F. vesiculosus (Sweden Atlantic only) had ∑5MeO-BDEs >100 pg g−1ww. Profiles of individual compounds showed distinct differences among species and locations.

  • 5. Cieplik, Mariusz K
    et al.
    Carbonell, Jose Pastor
    Muñoz, Christina
    Baker, Sarah
    Krüger, Sophie
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Marklund, Stellan
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Louw, Robert
    On Dioxin Formation in Iron Ore Sintering2003Ingår i: Environmental Science & Technology, Vol. 37, nr 15, s. 3323-31Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Iron ore sintering is an important source of "dioxins", polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs). This paper reports on attempts to identify materials, conditions, and mechanisms responsible for PCDD/F formation (i) by investigating salient properties of ores (viz., with respect to oxidation, condensation, and chlorination of model organics) and (ii) by mimicking the industrial process on a microscale with real-life materials. Principles of Design of Experiments (DOE) are employed. The reactivities of iron ores differ greatly. Limonite/goethite "soft" ore is a very active oxidation catalyst (e.g., for benzene and phenol), a property that may be useful in cleaning up crude sintering process offgases, whereas hematite/magnetite "hard" ore is not. The latter, however strongly promotes condensation of phenol to dibenzofuran. A newly built lab-microscale sintering facility could satisfactorily imitate the large-scale process, in part or as a whole. Results obtained with realistic feed mixtures point at dioxin formation in the sinter bed at levels significant enough to explain a major part of the outputs observed in the real-life process. With ~8 ppm (wt) of chloride added as NaCl, the PCDD/F output doubled, but with the same proportion of chlorine administered as C2Cl4, the dioxin output was over 2 orders of magnitude larger. The use of process reverts, etc. containing chlorinated organics should therefore be avoided. PCDD/F congener patterns are also reported and compared with those observed in practice.

  • 6. Cieplik, M.K.
    et al.
    De Jong, V.
    Bozovic, J.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Marklund, Stellan
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Louw, R.
    Formation of dioxins from combustion micropollutants over MSWI fly ash.2006Ingår i: Environmental Science and Technology, ISSN 0013-936X, Vol. 40, nr 4, s. 1263-9Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Formation of polychlorinated dibenzofurans and dibenzo-p-dioxins (PCDD/Fs) from a model mixture of products of incomplete combustion (PICs) representative of municipal solid waste incineration (MSWI) flue gases, over a fixed bed of MSWI fly ash has been investigated. For comparison, a single model compound (chlorobenzene) was also briefly studied. A newly developed lab-scale system enabled the application of (very) low and stable concentrations of organic substances--of 10(-6) M or less-to approach realistic conditions. Samples taken at several time intervals allowed the observation of changes in rates and patterns due to depletion of the carbon in fly ash. The model flue gas continuously produced PCDDs and PCDFs after the de novo reaction had ceased to occur. Dioxin output levels are comparable to those of "old" MSW incinerators. Replacing the PIC trace constituent phenol by its fully 13C-labeled analogue led to, e.g., PCDD with one labeled ring as prominent product, meaning that the formation is about first order in phenol, contrary to earlier assumptions. The meaning of the results for the formation of dioxins in the MSWI boiler is discussed.

  • 7.
    Do, Lan
    et al.
    Umeå universitet, Medicinska fakulteten, Institutionen för medicinsk kemi och biofysik.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Zhang, Jin
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Haglund, Peter
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Comprehensive profiling of 136 tetra- to octa-polychlorinated dibenzo-p-dioxins and dibenzofurans using ionic liquid columns and column combinations2013Ingår i: Journal of Chromatography A, ISSN 0021-9673, E-ISSN 1873-3778, Vol. 1311, s. 157-169Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The orders of elution of all 136 tetra- to octa-chlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) were determined on six gas chromatography (GC) columns. Three of these columns had ionic liquid stationary phases (SLB-IL111, SLB-IL76 and SLB-IL61; Supelco), one a liquid crystal phase (LC-50; Restek), one a chiral phase (beta DEXcst; Restek) and one a low bleed non-polar phase (DB-XLB; J&W/Agilent). According to our results, the high polarity and multiple solvation interactions of the ionic liquid stationary phases offered superior resolving power to that achieved with previously evaluated columns. The SLB-IL61 and SLB-IL111 columns resolved or partially separated 106 and 100 congeners, respectively, of the 136 PCDD/Fs. The SLB-IL61 also resolved 15 and partially separated one of the seventeen 2,3,7,8-substituted PCDD/Fs. Additional congeners can be separated by complementary analyses using additional columns in a dual- or triple-column approach. For example, using a combination of the SLB-IL61 and SLB-IL111 columns all but 8 congeners would be separated, including all 2,3,7,8-substituted PCDD/Fs. Two more congeners would be separated using a combination of SLB-IL76 and a liquid crystal (SB-Smectic) column, but in this case the 2,3,7,8-TeCDF would not be resolved. Three-column combinations would give even better separation: the DB-17/Smectic/SLB-IL76 and DB-225/Smectic/SLB-IL111 combinations would separate all but 1 of the 136 PCDD/F congeners. Unfortunately, the smectic column is no longer in production. If only commercially available columns are considered, combinations of SLB-IL61 and SLB-IL111 with DB-XLB, LC-50, or DB-225 offer the best performance, with 4, 4, and 3 unresolved congeners, respectively. Moreover, in each of these cases, one of the congeners in each unresolved pair is resolved on at least one of the other columns and so a reasonable estimate of the unresolved congeners' concentrations can be obtained by subtraction. The profiling of all 136 PCDD/Fs is thus greatly facilitated by using ionic liquid columns or combinations including such columns. However, there is room for improvement in the technical performance of the evaluated ionic liquid columns: their long-term retention time stability was poor and some highly chlorinated and sterically hindered congeners underwent dehalogenation during separation.

    (C) 2013 Elsevier B.V. All rights reserved.

  • 8.
    Haglund, Peter
    et al.
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Andersson, Rolf
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Aurell, Johanna
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Bergek, Sture
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Karlsson, S
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Olofsson, Ulrika
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Spinnel, Erik
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Sundqvist, Kristina
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Screening of Polychlorinated Dibenzothiophenes in the Swedish Environment2006Ingår i: Organohalogen Compounds, Vol. 68, s. 288-91Artikel i tidskrift (Refereegranskat)
  • 9.
    Kupryianchyk, Darya
    et al.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Giesler, Reiner
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap.
    Bidleman, Terry F.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Lau, Danny Chun Pong
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap.
    Sponseller, Ryan A.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Institutionen för ekologi, miljö och geovetenskap.
    Andersson, Patrik L.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Industrial and natural compounds in filter-feeding black fly larvae and water in 3 tundra streams2018Ingår i: Environmental Toxicology and Chemistry, ISSN 0730-7268, E-ISSN 1552-8618, Vol. 37, nr 12, s. 3011-3017Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    We report concentrations of polychlorinated biphenyls, polybrominated diphenyl ethers, novel flame retardants, and naturally occurring bromoanisoles in water and filter-feeding black fly (Simuliidae) larvae in 3 tundra streams in northern Sweden. The results demonstrate that black fly larvae accumulate a wide range of organic contaminants and can be used as bioindicators of water pollution in Arctic streams.

  • 10.
    Liljelind, Per
    et al.
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Söderström, Gunilla
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Hedman, Björn
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Karlsson, Stina
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Lundin, Lisa
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Marklund, Stellan
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Method for Multiresidue Determination of Halogenated Aromatics and PAHs in Combustion-Related Samples2003Ingår i: Environmental Science & Technology, Vol. 37, nr 16, s. 3680-6Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Flue gas and fly ash samples have a complex composition. Thus, thorough extraction and selective cleanup prior to analysis are essential. This paper presents an evaluated method for determining halogenated dibenzo-p-dioxins (PXDD), halogenated dibenzofurans (PXDF), chlorinated biphenyls (PCB), chlorobenzenes (CBz), -phenols (CPh), dibenzo-p-dioxins (DD), dibenzofurans (DF), and polycyclic aromatic hydrocarbons (PAH) in a single sample. Since these combustion byproducts are ubiquitous, harmful environmental contaminants it is very important to obtain reliable assessments of them: especially specific PCDD/F and PCB congeners with Ah-receptor mediated toxicity. The reported method for this purpose includes techniques such as solid-phase extraction, Soxhlet-Dean-Stark extraction, cleanup using open liquid chromatographic columns, and finally GC/MS analysis/determination with quantification by the isotope dilution technique. The validation results presented here show good reproducibility for PXDD/F and PCB and are satisfactory for CPh, CBz, and PAH. An extraction efficiency test revealed that a nonpolar solvent did not completely extract a few analytes, i.e., diCPh and fluorene, which appear to require a more polar extraction agent. To pinpoint and minimize the loss of analytes, specific studies on reductions of their amounts during sample concentration were performed, showing that traditional rotary evaporation and nitrogen blow-down produce equally good results as a novel technique.

  • 11.
    Liljelind, Per
    et al.
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Unsworth, John
    Maaskant, Onno
    Marklund, Stellan
    Umeå universitet, Teknisk-naturvetenskaplig fakultet, Kemi.
    Removal of dioxins and related aromatic hydrocarbons from flue gas streams by adsorption and catalytic destruction2001Ingår i: Chemosphere, Vol. 42, nr 5-7, s. 615-23Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    The dioxin removing capacity of the shell dedioxin system (SDDS – a Ti/V oxidative type catalyst) has been tested using the Umeå lab-scale incinerator over the temperature range 100–230°C and at space velocities of 8000 and 40,000 h−1. Other analogous organic compounds, such as PCBs, PAHs, chlorobenzenes and chlorophenols have also been investigated. Results show a high degree of dioxin removal already at 100°C (82%), which occurs mainly by adsorption. When the temperature is raised a transition towards destruction is seen and at 150°C, gas hour space velocity (GHSV) 8000 and at 230°C, GHSV 40,000 virtually all removal is by destruction. High PCDD/F destruction efficiencies are reported (>99.9%, based on I-TEQ); the other dioxin-related species and PAHs are also removed and destroyed to a significant extent. The SDDS has proved to be an effective means of destroying organic compounds in the gas phase, particularly dioxins, at temperatures as low as 150°C.

  • 12. Marmon, Sofia K
    et al.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Undeland, Ingrid
    Removal of lipids, dioxins, and polychlorinated biphenyls during production of protein isolates from baltic herring (Clupea harengus) using pH-shift processes2009Ingår i: Journal of Agricultural and Food Chemistry, ISSN 0021-8561, E-ISSN 1520-5118, Vol. 57, nr 17, s. 7819-7825Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Dioxins and PCBs are toxic, lipophilic, and persistent substances that impose a serious health threat. A major risk of exposure to these toxic substances is consumption of fish from polluted waters, such as the Baltic Sea. The aim of this study was to investigate if pH-shift processing of Baltic herring with elevated toxicity levels could be used to produce a protein isolate with low fat content and, thereby, reduced dioxin and PCB levels. Both acid (pH 2.7) and alkaline (pH 11.2) pH-shift processing were investigated and resulted in efficient reduction of fat, dioxin, and PCB levels. A reduction of 70-80% per amount of protein was determined for all of these parameters. The amounts, and thus the removal, of lipids and dioxins (R(2) = 0.952) as well as lipids and PCBs (R(2) = 0.996) were highly correlated (p < 0.01). A mass balance of the alkaline pH-shift process showed that most of the fat and pollutants were found in the floating fat emulsion layer of the first centrifugation, followed by the pellet of the first centrifugation. These data show that the pH-shift protein isolation technique can be used to process herring with elevated dioxin and PCB levels and thereby increase the usage possibilities of such fish.

  • 13.
    Veenaas, Cathrin
    et al.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Bignert, Anders
    Contaminant Research Group, Swedish Museum of Natural History.
    Liljelind, Per
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Haglund, Peter
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Nontarget Screening and Time-Trend Analysis of Sewage Sludge Contaminants via Two-Dimensional Gas Chromatography-High Resolution Mass Spectrometry2018Ingår i: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 52, nr 14, s. 7813-7822Artikel i tidskrift (Refereegranskat)
    Abstract [en]

    Nondestructive sample cleanup and comprehensive two-dimensional gas chromatography (GCXGC) high-resolution mass spectrometry (HRMS) analysis generated a massive amount of data that could be used for nontarget screening purposes. We present a data reduction and prioritization strategy that involves time-trend analysis of nontarget data. Sewage sludge collected between 2005 and 2015 in Stockholm (Sweden) was retrieved from an environmental specimen bank, extracted, and analyzed by GCX GC-HRMS. After data alignment features with high blank levels, artifacts and low detection frequency were removed. Features that appeared in four to six out of ten years were reprocessed to fill in gaps. The total number of compounds was reduced by more than 97% from almost 60 000 to almost 1500. The remaining compounds were analyzed for monotonic (log-linear) and nonmonotonic (smoother) time trends. In total, 192 compounds with log-linear trends and 120 compounds with nonmonotonic trends were obtained, respectively. Most compounds described by a log-linear trend exhibited decreasing trends and were traffic-related. Compounds with increasing trends included UV-filters, alkyl-phenols, and flavor and fragrances, which often could be linked to trade statistics. We have shown that nontarget screening and stepwise reduction of data provides a simple way of revealing significant changes in emissions of chemicals in society.

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