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  • 1. Aeppli, Christoph
    et al.
    Holmstrand, Henry
    Bastviken, David
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Gustafsson, Orjan
    Investigating formation and degradation of polychlorinated phenols in the environment using chlorine and carbon stable isotope fractionation2011In: Abstract of Papers of the American Chemical Society, ISSN 0065-7727, Vol. 242, p. 214-ENVR-Article in journal (Refereed)
  • 2. Aeppli, Christoph
    et al.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Holmstrand, Henry
    Gustafsson, Örjan
    Use of Cl and C Isotopic Fractionation to Identify Degradation and Sources of Polychlorinated Phenols: Mechanistic Study and Field Application2013In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 47, no 2, p. 790-797Article in journal (Refereed)
    Abstract [en]

    The widespread use of chlorinated phenols (CPs) as a wood preservative has led to numerous contaminated sawmill sites. However, it remains challenging to assess the extent of in situ degradation of CPs. We evaluated the use of compound-specific chlorine and carbon isotope analysis (Cl- and C-CSIA) to assess CP biotransformation. In a laboratory system, we measured isotopic fractionation during oxidative 2,4,6-trichlorophenol dechlorination by representative soil enzymes (C. fumago chloroperoxidase, horseradish peroxidase, and laccase from T. versicolor). Using a mathematical model, the validity of the Rayleigh approach to evaluate apparent kinetic isotope effects (AKIE) was confirmed. A small but significant Cl-AKIE of 1.0022 ± 0.0006 was observed for all three enzymes, consistent with a reaction pathway via a cationic radical species. For carbon, a slight inverse isotope effect was observed (C-AKIE = 0.9945 ± 0.0019). This fractionation behavior is clearly distinguishable from reported reductive dechlorination mechanisms. Based on these results we then assessed degradation and apportioned different types of technical CP mixtures used at two former sawmill sites. To our knowledge, this is the first study that makes use of two-element CSIA to study sources and transformation of CPs in the environment.

  • 3.
    Andersson, Agneta
    et al.
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Meier, H.E. Markus
    Ripszam, Matyas
    Umeå University, Faculty of Medicine, Department of Public Health and Clinical Medicine, Occupational and Environmental Medicine.
    Rowe, Owen
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Wikner, Johan
    Umeå University, Faculty of Science and Technology, Umeå Marine Sciences Centre (UMF).
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Eilola, Kari
    Legrand, Catherine
    Figueroa, Daniela
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Paczkowska, Joanna
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Lindehoff, Elin
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Elmgren, Ragnar
    Projected future climate change and Baltic Sea ecosystem management2015In: Ambio, ISSN 0044-7447, E-ISSN 1654-7209, Vol. 44, no Suppl 3, p. S345-S356Article in journal (Refereed)
    Abstract [en]

    Climate change is likely to have large effectson the Baltic Sea ecosystem. Simulations indicate 2–4 Cwarming and 50–80 % decrease in ice cover by 2100.Precipitation may increase *30 % in the north, causingincreased land runoff of allochthonous organic matter(AOM) and organic pollutants and decreased salinity.Coupled physical–biogeochemical models indicate that, inthe south, bottom-water anoxia may spread, reducing codrecruitment and increasing sediment phosphorus release,thus promoting cyanobacterial blooms. In the north,heterotrophic bacteria will be favored by AOM, whilephytoplankton production may be reduced. Extra trophiclevels in the food web may increase energy losses andconsequently reduce fish production. Future managementof the Baltic Sea must consider the effects of climatechange on the ecosystem dynamics and functions, as wellas the effects of anthropogenic nutrient and pollutant load.Monitoring should have a holistic approach, encompassingboth autotrophic (phytoplankton) and heterotrophic (e.g.,bacterial) processes.

  • 4.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Berg, A H
    Bjerselius, R
    Norrgren, L
    Olsén, H
    Olsson, P-E
    Örn, S
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Bioaccumulation of Selected PCBs in Zebrafish, Three-Spined Stickleback, and Arctic Char After Three Different Routes of Exposure2001In: Archives of Environmental Contamination and Toxicology, ISSN 0090-4341 (Print) 1432-0703 (Online), Vol. 40, no 4, p. 519-30Article in journal (Refereed)
    Abstract [en]

    The uptake and elimination of 20 structurally diverse tetra- to heptachlorinated biphenyls were studied in zebrafish (Danio rerio), three-spined stickleback (Gasterosteus aculeatus), and Arctic char (Salvelinus alpinus). The polychlorinated biphenyls (PCBs) were administered to the fish through food, intraperitoneal injection of peanut oil, or intraperitoneal implantation of silicone capsules. The retention of the PCBs in fish exposed through their diet was related with the substitution patterns of the compounds. Ortho-substituted congeners with no unsubstituted meta-para positions had high biomagnification potential. PCBs with low biomagnification all had adjacent vicinal hydrogens, indicating that congeners with this feature may have been metabolically eliminated. The retention characteristics of the PCBs in the diet-exposed and the injected zebrafish were similar. The pattern of congeners in Arctic char indicates that they have a lower capacity to metabolize PCBs compared to three-spined sticklebacks and zebrafish. The levels in the fish exposed to the PCBs through a silastic implant were negatively correlated with the hydrophobicity of the congeners. Most probably congener-specific release rates of the PCBs from the implants mask their retention characteristics. It is suggested that food, mimicking the natural intake route, should be used in PCB exposure studies to validate extrapolations to natural situations.

  • 5.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Rappe, Christoffer
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ultraviolet absorption characteristics and calculated semi-empirical parameters as chemical descriptors in multivariate modelling of polychlorinated biphenyls1996In: Journal of Chemometrics, ISSN 0886-9383, E-ISSN 1099-128X, Vol. 10, no 2, p. 171-185Article in journal (Refereed)
    Abstract [en]

    The structural variation within the polychlorinated biphenyls (PCBs) was characterized by using principal component analysis (PCA). A multivariate model was evolved from 52 physicochemical descriptors including measured ultraviolet (UV) absorption spectra, calculated semiempirical parameters (AM1) and properties captured from the literature. Parameters calculated by using the AM1-Hamiltonian were e.g. heat of formation, dipole moments, ionization potential and the barrier of internal rotation. The UV spectra were measured and digitized in the range 200-300 nm. The multivariate model revealed that most of the information within the set of physicochemical parameters was related to molecular size. Descriptors depending on size were e.g. GC retention times, partition coefficients and a subset of semiempirically derived energy terms. Important also were parameters reflecting differences in substitution patterns and related to electronic and steric properties, such as UV absorption in the wavelength region 245-300 nm, the barrier of internal rotation and the ionization potential. The developed model describes the large variation in physicochemical characteristics within the PCBs. The importance of a broad chemical characterization is illustrated by a quantitative structure-activity relationship (QSAR) for the potency of inhibition of intercellular communication for 27 structurally diverse tetra- to heptachlorinated PCBs.

  • 6.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ultraviolet absorption spectra of all 209 polychlorinated biphenyls evaluated by principal component analysis1997In: Fresenius' Journal of Analytical Chemistry, ISSN 0937-0633, E-ISSN 1432-1130, Vol. 357, no 8, p. 1088-1092Article in journal (Refereed)
    Abstract [en]

    The ultraviolet absorption spectra of all 209 polychlorinated biphenyls (PCBs) were recorded in the range 200-300 nm and displayed two important absorption maxima, viz., the main-band, lambda(max) 200-225 nm, and the kappa-band, lambda(max) 245-265 nm. By utilising principal component analysis, substitution related spectral characteristics of the PCBs, underlying the main patterns of the spectra, were examined. Captured in the multivariate evaluation were e.g., the importance of chlorine atoms in ortho positions, determining the intensity and existence of the kappa-band, chlorine substitution in para-para position, and the total number of chlorine atoms. The measured UV-spectra of all 209 polychlorinated biphenyls provide important physico-chemical descriptors for use in future quantitative structure-activity and structure-property relationship (QSAR/QSPR) studies.

  • 7.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    An introduction to QSARs2006In: Using chemistry in environmental and health risk assessment, US-AB Universitetsservice, Stockholm , 2006, p. 51-74Chapter in book (Refereed)
  • 8.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    van der Burght, Aafje S.A.M.
    van den Berg, Martin
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Multivariate modeling of polychlorinated biphenyl-induced CYP1A activity in hepatocytes from three different species: ranking scales and species differences2000In: Environmental Toxicology and Chemistry, ISSN 0730-7268, E-ISSN 1552-8618, Vol. 19, no 5, p. 1454-1463Article in journal (Refereed)
    Abstract [en]

    Cytochrome P4501A–induced activity of 20 selected polychlorinated biphenyls (PCBs) was evaluated by measuring ethoxyresorufin-O-deethylase and methoxyresorufin-O-demethylase activities induced in the hepatocytes of cynomolgus monkeys, male castrated pigs, and chicken embryos. Quantitative structure-activity relationships have been established, including 52 physi-cochemical parameters and different measures of the dose-response curves. Relative effect potencies are predicted for the 154 tetra-to hepta-PCBs and reported for the most potent congeners according to both EC50 and maximal response values. Important physicochemical parameters of the PCBs as related to the modeled activity are parts of their ultraviolet absorption spectra, the Henry's law constant, the ionization potential, and the octanol-water partition coefficient. Interspecies differences were found in terms of varied sensitivity to different structural subgroups of the compounds. The chicken hepatocyte assay showed the most specific structure-activity relationship, with high activity for the non-ortho PCBs, whereas the pig hepatocytes responded even for some di- to tetra-ortho PCBs. An interspecies response, the principal induction potency, is presented for the 41 most potent PCBs. These responses showed strong correlation with the toxic equivalency factors and are likely to be useful in risk assessment of the compounds.

  • 9.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    van der Burght, ASAM
    van den Berg, M
    Tysklind, Mats
    Multivariate modeling of polychlorinated biphenyl-induced CYP1A activity in hepatocytes from three different species: Ranking scales and species differences2000In: ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY, ISSN 0730-7268, Vol. 19, no 5, p. 1454-63Article in journal (Refereed)
    Abstract [en]

    Cytochrome P4501A-induced activity of 20 selected polychlorinated biphenyls (PCBs) was evaluated by measuring ethoxyresorufin-O-deethylase and methoxyresorufin-O-demethylase activities induced in the hepatocytes of cynomolgus monkeys, male castrated pigs, and chicken embryos. Quantitative structure-activity relationships have been established, including 52 physicochemical parameters and different measures of the dose-response curves. Relative effect potencies are predicted for the 154 tetra-to hepta-PCBs and reported for the most potent congeners according to both EC50 and maximal response values. Important physicochemical parameters of the PCBs as related to the modeled activity are parts of their ultraviolet absorption spectra, the Henry's law constant, the ionization potential, and the octanol-water partition coefficient. Interspecies differences were found in terms of varied sensitivity to different structural subgroups of the compounds. The chicken hepatocyte assay showed the most specific structure-activity relationship, with high activity for the non-or rho PCBs, whereas the pig hepatocytes responded even for some di- to tetra-ortho PCBs. An interspecies response, the principal induction potency, is presented for the 41 most potent PCBs. These responses showed strong correlation with the toxic equivalency factors and are likely to be useful in risk assessment of the compounds.

  • 10.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Örn, U
    Öberg, Kjell
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Chemical characterization and strategic selection of BFRs for PBT assessment2004In: Abstract BFR2004 Toronto, 2004Conference paper (Other academic)
  • 11. Ankarberg, E
    et al.
    Bjerselius, R
    Aune, M
    Darnerud, PO
    Larsson, L
    Andersson, A
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Bergek, Sture
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lundstedt-Enkel, K
    Karlsson, L
    Törnkvist, A
    Glynn, A
    Study of dioxin and dioxin-like PCB levels in fatty fish from Sweden 2000-20022004In: Organohalogen Compounds, Vol. 66, p. 2061-5Article in journal (Refereed)
  • 12. Antoniou, Maria G.
    et al.
    Hey, Gerly
    Rodriguez Vega, Sergio
    Spiliotopoulou, Aikaterini
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Jansen, Jes La Cour
    Andersen, Henrik Rasmus
    Variability in required ozone doses for removing pharmaceuticals from wastewater effluents2013In: Proceedings of the 13th International Conference on Environmental Science and Technology / [ed] Lekkas, TD, Global Nest, Secretariat , 2013Conference paper (Refereed)
    Abstract [en]

    Aim of study. The aim of the present study was to investigate the ozone dosage required to remove active pharmaceutical ingredients (APIs) from biologically treated wastewater of varying quality originating from different wastewater treatment processes. Methods. Secondary effluents from six Swedish wastewater treatment plants (VWVTP) were spiked with 42 APIs (nominal concentration 1pg/L) and treated with different 03 doses (0.5-12.0 mg/L ozone) in bench-scale experiments (Antoniou et al, 2012). Concentrations of APIs were measured by SPE extraction using OASIS HLB cartridges followed by quantification using LC-MS-MS (Grabic et al, 2012).. Results. For each wastewater effluent a profile of sensitivity of each API to a range of ozone doses were generated as shown in Figure 1.

  • 13. Antoniou, Maria G.
    et al.
    Hey, Gerly
    Rodríguez Vega, Sergio
    Spiliotopoulou, Aikaterini
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    la Cour Jansen, Jes
    Andersen, Henrik Rasmus
    Required ozone doses for removing pharmaceuticals from wastewater effluents2013In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 456-457, p. 42-49Article in journal (Refereed)
    Abstract [en]

    The aim of the this study was to investigate the ozone dosage required to remove active pharmaceutical ingredients (APIs) from biologically treated wastewater of varying quality, originated from different raw wastewater and wastewater treatment processes. Secondary effluents from six Swedish wastewater treatment plants (WWTP) were spiked with 42 APIs (nominal concentration 1μg/L) and treated with different O3 doses (0.5-12.0mg/L ozone) in bench-scale experiments. In order to compare the sensitivity of APIs in each matrix, the specific dose of ozone required to achieve reduction by one decade of each investigated API (DDO3) was determined for each effluent by fitting a first order equation to the remaining concentration of API at each applied ozone dose. Ozone dose requirements were found to vary significantly between effluents depending on their matrix characteristics. The specific ozone dose was then normalized to the dissolved organic carbon (DOC) of each effluent. The DDO3/DOC ratios were comparable for each API between the effluents. 15 of the 42 investigated APIs could be classified as easily degradable (DDO3/DOC≤0.7), while 19 were moderately degradable (0.7<DDO3/DOC≤1.4), and 8 were recalcitrant towards O3-treatment (DDO3/DOC >1.4). Furthermore, we predict that a reasonable estimate of the ozone dose required to remove any of the investigated APIs may be attained by multiplying the experimental average DDO3/DOC obtained with the actual DOC of any effluent.

  • 14.
    Assefa, Anteneh Taye
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sobek, Anna
    Sundqvist, Kristina L.
    Cato, Ingemar
    Jonsson, Per
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Wiberg, Karin
    Temporal Trends of PCDD/Fs in Baltic Sea Sediment Cores Covering the 20th Century2014In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 48, no 2, p. 947-953Article in journal (Refereed)
    Abstract [en]

    The pollution trend of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in the Baltic Sea region was studied based on depth profiles of PCDD/Fs in sediment cores collected from six offshore areas, eight coastal sites impacted by industrial/urban emissions, and one coastal reference site. A general trend was observed for the offshore and coastal reference sites with substantial increase in PCDD/F concentrations in the mid-late 1970s and peak levels during 1985-2002. The overall peak year for PCDD/Fs in Baltic Sea offshore areas was estimated (using spline-fit modeling) to 1994 ± 5 years, and a half-life in sediments was estimated at 29 ± 11 years. For the industrial/urban impacted coastal sites, the temporal trend was more variable with peak years occurring 1-2 decades earlier compared to offshore areas. The substantial reductions from peak levels (38 ± 11% and 81 ± 12% in offshore and coastal areas, respectively) reflect domestic and international actions taken for reduction of the release of PCDD/Fs to the environment. The modeled overall half-life and reductions of PCDD/Fs in offshore Baltic Sea sediment correspond well to both PCDD/F trends in European lakes without any known direct PCDD/F sources (half-lives 30 and 32 years), and previously modeled reduction in atmospheric deposition of PCDD/Fs to the Baltic Sea since 1990. These observations support previous findings of a common diffuse source, such as long-range air transport of atmospheric emissions, as the prime source of PCDD/Fs to the Baltic Sea region. The half-life of PCDD/Fs in Baltic Sea offshore sediments was estimated to be approximately 2 and 4-6 times longer than in semirural and urban European air, respectively. This study highlights the need for further international actions to reduce the levels of PCDD/Fs in Baltic Sea air specifically and in European air in general.

  • 15.
    Assefa, Anteneh Taye
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sundqvist, KL
    Cato, I
    Jonsson, P
    Sobek, A
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Wiberg, Karin
    Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU) Uppsala.
    Trends of PCDD/FS in coastal and offshore Baltic Sea sediment cores covering the 20th century2012Conference paper (Refereed)
  • 16.
    Assefa, Anteneh Taye
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sobek, Anna
    Stockholm Univ, Dept Appl Environm Sci ITM, SE-10691 Stockholm, Sweden.
    Sundqvist, Kristina
    AF AB, SE-90347 Umeå, Sweden.
    Geladi, Paul
    Swedish Univ Agr Sci SLU, SE-90183 Umeå, Sweden.
    Wiberg, Karin
    Swedish Univ Agr Sci SLU, Dept Aquat Sci & Assessment, SE-75007 Uppsala, Sweden.
    Assessment of PCDD/F Source Contributions in Baltic Sea Sediment Core Records2014In: Environmental Science and Technology, ISSN 1086-931X, E-ISSN 1520-6912, Vol. 48, no 16, p. 9531-9539Article in journal (Refereed)
    Abstract [en]

    Spatial and temporal trends of sources of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in the Baltic Sea were evaluated by positive matrix factorization (PMF) and principal component analysis (PCA). Sediment cores were sampled at eight coastal, one coastal reference, and six offshore sites covering the northern to the southern Baltic Sea. The cores, which covered the period 1919-2010, were sliced into 2-3 cm disks among which 8-11 disks per core (in total 141 disks) were analyzed for all tetra- through octa-CDD/Fs. Identification and apportionment of PCDD/F sources was carried out using PMF. Five stable model PCDD/F congener patterns were identified, which could be associated with six historically important source types: (i) atmospheric background deposition (ABD), (ii) use and production of penta-chlorophenol (PCP), (iii) use and production of tetra-chlorophenol (TeCP), (iv) high temperature processes (Thermal), (v) hexa-CDD-related sources (HxCDD), and (vi) chlorine-related sources (Chl), all of which were still represented in the surface layers. Overall, the last four decades of the period 1920-2010 have had a substantial influence on the Baltic Sea PCDD/F pollution, with 88 ± 7% of the total amount accumulated during this time. The 1990s was the peak decade for all source types except TeCP, which peaked in the 1980s in the northern Baltic Sea and has still not peaked in the southern part. The combined impact of atmospheric-related emissions (ABD and Thermal) was dominant in the open sea system throughout the study period (1919-2010) and showed a decreasing south to north trend (always >80% in the south and >50% in the north). Accordingly, to further reduce levels of PCDD/Fs in the open Baltic Sea ecosystem, future actions should focus on reducing atmospheric emissions.

  • 17.
    Assefa, Anteneh
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences, Uppsala, Sweden.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bignert, Anders
    Josefsson, Sarah
    Wiberg, Karin
    Sources of polychlorinated dibenzo-p-dioxins and dibenzofurans to Baltic Sea herring2019In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 218, p. 493-500Article in journal (Refereed)
    Abstract [en]

    Levels of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in herring (Clupea harengus) remain high in several parts of the Baltic Sea, despite declines in PCDD/F emissions since the 1980s. The reasons behind this are not well understood. This study applied a statistical modeling approach where sources of PCDD/Fs that contaminate Baltic biota were quantitatively assessed by analyzing existing datasets. PCDD/F patterns were extracted from a herring dataset using positive matrix factorization (PMF). The extracted biota patterns were transformed into sediment patterns using fish-to-sediment transformation factors, and the resulting patterns were compared with known source PCDD/F patterns. The model distinguished three model patterns, which explained 85% of the data. These patterns were matched to tetra-chlorophenol (TCP), penta-chlorophenol/atmospheric background (PCP/AB), and thermal source patterns, respectively. The thermal source was the largest contributor to toxic equivalents (TEQ) in herring, but the level decreased from 42 ± 9.0 pg TEQ g−1 lipid weight (lw) before year 2000 (pre-2000) to 15 ± 2.4 pg TEQ g−1 lw post-2000, i.e., a decline of around one-third in the original TEQ concentration. The contribution of TCP more than doubled, from 2.1 ± 0.62 pg TEQ g−1 lw to 5.6 ± 1.1 pg TEQ g−1 lw, and the relative contribution of PCP/AB also increased. These increasing trends suggest that, as primary air emissions of PCDD/Fs are managed and levels decline, the impact of TCP and PCP/AB sources on Baltic Sea biota will become more important over time and that PCDD/F-contaminated sites in coastal areas and marine environments require more attention.

  • 18.
    Assefa, Anteneh
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Dept. of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences (SLU), Uppsala, Sweden .
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Klanova, Jana
    Wiberg, Karin
    Tracing the sources of PCDD/Fs in Baltic Sea air by using metals as source markers2018In: Environmental Science: Processes & Impacts, ISSN 2050-7887, E-ISSN 2050-7895, Vol. 20, no 3, p. 544-552Article in journal (Refereed)
    Abstract [en]

    The atmosphere is the major contributor of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in the Baltic Sea environment. In this study, we investigated the potential of using metals along with PCDD/Fs as markers of important emission sources of PCDD/Fs in air. The air concentrations of PCDD/F congeners (n = 17), other persistent organic pollutants (n = 8) and metals (n = 16) were determined in summer and winter air using high volume samplers at a rural field station (Aspvreten, Sweden) located close to the Baltic Sea coast. During winter, PCDD/F levels were on average 20 times higher than in summer (5.1 +/- 5.8 fg toxicity equivalents (TEQ) m-3 and 0.26 +/- 0.18 fg TEQ m-3, respectively) mostly due to a higher fraction of PCDFs. The increased levels of PCDD/Fs were pronounced mainly in air masses that had travelled from southern (S) and eastern (E) compass sectors. A principal component analysis (PCA) of metal levels in Scots pine (Pinus sylvestris) needles sampled to reflect various air emission source types helped to identify potential marker metals for selected known atmospheric emission sources of PCDD/Fs and to rank among the candidate source types. Brown coal burning, domestic burning and heavy oil burning appeared to be the source types that contribute most of the PCDD/Fs in Baltic Sea air. The current study demonstrates a successful approach for source tracing of PCDD/Fs in air, where integrated indices from seasonal and spatial patterns of PCDD/Fs as well as metal source markers were used to trace and rank sources.

  • 19. Aune, Marie
    et al.
    Bjerselius, Rickard
    Atuma, Samuel
    Darnerud, Per Ola
    Andersson, Arne
    Arrhenius, Fredrik
    Bergek, Sture
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Glynn, Anders
    Large Differences in Dioxin and PCB Levels in Herring and Salmon Depending on Tissue Analysed2003In: Organohalogen Compounds, Vol. 64, p. 378-81Article in journal (Refereed)
  • 20.
    Badea, Silviu
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Liljelind, Per
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    The influence of soil composition on the leachability of selected hydrophobic organic compounds (HOCs) from soils using a batch leaching test2013In: Journal of Hazardous Materials, ISSN 0304-3894, E-ISSN 1873-3336, Vol. 254, p. 26-35Article in journal (Refereed)
    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.

  • 21.
    Badea, Silviu-Laurentiu
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Liljelind, Per
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Assessment of the release of organic contaminants from soil using a batch leaching test2010Conference paper (Refereed)
  • 22.
    Badea, Silviu-Laurentiu
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mustafa, Majid
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Leachability and desorption of PCBs from soil and their dependency on pH and dissolved organic matter2014In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 499, p. 220-227Article in journal (Refereed)
    Abstract [en]

    pH affects both soil–water partitioning coefficient (Kd) of polychlorinated biphenyls (PCBs) and dissolved organic matter (DOM), thereby influencing PCBs' leachability from contaminated soils. To explore these incompletely understood interactions, the leachability of 11 selected PCBs in a naturally aged soil was investigated in pH static leaching tests spanning a wide pH range (2 to 9). The Kd was calculated for each of the PCBs, based on their observed concentrations in the soil and leachates obtained from each test. The concentration and composition of DOM in each leachate were also determined, the latter using FTIR spectroscopy. Correlations between the DOM's FTIR spectra and Kd values were investigated by orthogonal projections to latent structures. The log Kd-values varied among the PCB congeners and were most variable at low pH, but the values for all studied congeners decreased with increasing pH, by up to 3 log units (for PCB 187). In the pH 5–7 interval, an abrupt decrease in log Kd values with increases in pH was observed, although the total organic carbon content remained relatively stable. The FTIR data indicate that fulvic and humic acids in DOM partially deprotonate as the pH rises from 5 to 7.

  • 23. Bengtsson-Palme, Johan
    et al.
    Hammarén, Rickard
    Pal, Chandan
    Östman, Marcus
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Björlenius, Berndt
    Flach, Carl-Fredrik
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Kristiansson, Erik
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Larsson, D.G. Joakim
    Elucidating selection processes for antibiotic resistance in sewage treatment plants using metagenomics2016In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 572, p. 697-712Article in journal (Refereed)
    Abstract [en]

    Sewage treatment plants (STPs) have repeatedly been suggested as “hotspots” for the emergence and dissemination of antibiotic-resistant bacteria. A critical question still unanswered is if selection pressures within STPs, caused by residual antibiotics or other co-selective agents, are sufficient to specifically promote resistance. To address this, we employed shotgun metagenomic sequencing of samples from different steps of the treatment process in three Swedish STPs. In parallel, concentrations of selected antibiotics, biocides and metals were analyzed. We found that concentrations of tetracycline and ciprofloxacin in the influent were above predicted concentrations for resistance selection, however, there was no consistent enrichment of resistance genes to any particular class of antibiotics in the STPs, neither for biocide and metal resistance genes. The most substantial change of the bacterial communities compared to human feces occurred already in the sewage pipes, manifested by a strong shift from obligate to facultative anaerobes. Through the treatment process, resistance genes against antibiotics, biocides and metals were not reduced to the same extent as fecal bacteria. The OXA-48 gene was consistently enriched in surplus and digested sludge. We find this worrying as OXA-48, still rare in Swedish clinical isolates, provides resistance to carbapenems, one of our most critically important classes of antibiotics. Taken together, metagenomics analyses did not provide clear support for specific antibiotic resistance selection. However, stronger selective forces affecting gross taxonomic composition, and with that resistance gene abundances, limit interpretability. Comprehensive analyses of resistant/non-resistant strains within relevant species are therefore warranted.

  • 24.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Eriksson, Lennart
    Nyman, Madeleine
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Novel multivariate methods for evaluation of PCB levels, and of CYP1A, vitamin E, and haematological parameters as PCB-exposure biomarkers, in seal2005In: Organohalogen Compounds, Vol. 67, p. 1867-70Article in journal (Refereed)
  • 25.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Frech, Kristina
    Umeå University, Faculty of Science and Technology, Chemistry.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Characterization and classification of complex PAH samples using GC-qMS and GC-TOFMS2006In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 65, no 11, p. 2208-2215Article in journal (Refereed)
    Abstract [en]

    The aim of this study was to compare the polycyclic aromatic hydrocarbon (PAH) contents in a number of complex samples, including soil samples from industrial sites, anti-skid sand, urban dust and ash samples from municipal solid waste incinerators. The samples were characterized by routine analysis of PAHs (gas chromatography–quadrupole mass spectrometry) and gas chromatography–time of flight mass spectrometry (GC–TOFMS). Classification of the samples by principal component analysis (PCA) according to their composition of PAHs revealed that samples associated with traffic and the municipal incinerator formed homogeneous clusters, while the PAH-contaminated soils clustered in separate groups. Using spectral data to resolve co-eluting chromatographic peaks, 962 peaks could be identified in the GC–TOFMS analysis of a pooled sample and 123–527 peaks in the individual samples. Many of the studied extracts included a unique set of chemicals, indicating that they had a much more diverse contamination profile than their PAH contents suggested. Compared to routine analysis, GC–TOFMS provided more detailed information about each sample and in this study a large number of alkylated PAHs were found to be associated with the corresponding unsubstituted PAHs. The possibility to filter peaks according to different criteria (e.g. to include only peaks that were detected in the analysis of another sample) was explored and used to identify unique as well as common compounds within samples. This procedure could prove to be valuable for obtaining relevant chemical data for use in conjunction with results from various biological test systems.

  • 26.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Kitti, Anna
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Chemistry.
    Assessment of the availability of polycyclic aromatic hydrocarbons from gasworks soil using different extraction solvents and techniques2004In: Environmental Toxicology and Chemistry, ISSN 0730-7268, E-ISSN 1552-8618, Vol. 23, no 8, p. 1861-1866Article in journal (Refereed)
    Abstract [en]

    This study was designed to assess the availability of polycyclic aromatic hydrocarbons (PAHs) present at a gasworks site to different soil remediation techniques. The study examined the effect on PAH availability of using different organic solvents, the degree of pretreatment, and the extraction time. In total, 25 PAHs (with two to six fused rings) and five carbonyl derivatives were measured. The results indicated that the PAHs and their derivatives were bound loosely to the surface of the studied soil and that there were no significant kinetic boundaries associated with the extraction of the PAHs. Furthermore, it was concluded that the studied soil was not suitable for bioremediation, as the concentration of PAHs with low molecular weight were limited. However, pressurized liquid extraction (PLE) with methanol as the solvent extracted 97% of all PAHs and PAH-derivatives, indicating that extraction may be effective as part of a soil remediation technique for old gasworks soils.

  • 27.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Kucera, Adam
    Frech, Kristina
    Umeå University, Faculty of Science and Technology, Chemistry.
    Andersson, Erika
    Engwall, Magnus
    Rannung, Ulf
    Koci, Vladimir
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Identification of potentially toxic compounds in complex extracts of environmental samples using GC-MS and multivariate data analysis2007In: Environmental Toxicology and Chemistry, ISSN 0730-7268, E-ISSN 1552-8618, Vol. 26, no 2, p. 208-17Article in journal (Refereed)
    Abstract [en]

    In this study, we examined 31 samples of varying chemical composition, including samples of soils from gasworks, coke production sites, and sites where wood preservatives were heavily used; ash and soot from municipal solid waste incinerators; antiskid sand; and dust from areas with heavy road traffic. The samples were comprehensively chemically characterized, especially their polycyclic aromatic compound contents, using gas chromatography–time-of-flight mass spectrometry, whereas their biological effects were assessed using dehydrogenase activity, root growth (Hordeum vulgare), reproduction of springtails (Folsomia candida), algal growth (Desmodesmus subspicatus), germinability (Sinapis alba), Vibrio fischeri, DR-CALUX, and Ames Salmonella assays. The number of compounds detected in the samples ranged from 123 to 527. Using the multivariate regression technique of partial-least-squares projections to latent structures, it was possible to find individual compounds that exhibited strong correlations with the different biological responses. Some of the results, however, indicate that a broader chemical characterization may be needed to identify all the compounds that may cause the measured biological responses.

  • 28.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Meijer, Sandra
    Halsall, Crispin
    Ågren, Anneli
    Laudon, Hjalmar
    Köhler, Stephan
    Jones, Kevin C
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Wiberg, Karin
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Modelling the fate of hydrophobic organic contaminants in a boreal forest catchment: a cross disciplinary approach to assessing diffuse pollution to surface waters2010In: Environmental Pollution, ISSN 0269-7491, E-ISSN 1873-6424, Vol. 158, no 9, p. 2964-2969Article in journal (Refereed)
    Abstract [en]

    The fate of hydrophobic organic compounds (HOCs) in soils and waters in a northern boreal catchment was explored through the development of a chemical fate model in a well-characterised catchment system dominated by two land types: forest and mire. Input was based solely on atmospheric deposition, dominated by accumulation in the winter snowpack. Release from soils was governed by the HOC concentration in soil, the soil organic carbon fraction and soil-water DOC content. The modelled export of selected HOCs in surface waters ranged between 11 and 250ng day(-1) during the snow covered period, compared to 200 and 9600ng/d during snow-melt; highlighting the importance of the snow pack as a source of these chemicals. The predicted levels of HOCs in surface water were in reasonable agreement to a limited set of measured values, although the model tended to over predict concentrations of HOCs for the forested sub-catchment, by over an order of magnitude in the case of hexachlorobenzene and PCB 180. This possibly reflects both the heterogeneity of the forest soils and the complicated and changing hydrology experienced between the different seasons.

  • 29.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Sehlin, E
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Assessment of bioavailability of PAHs by comparison of uptake in earthworm (Eisenia foetida) and different echniques including leaching, HPCD, SPME and SPMD2005In: Organohalogen Compounds, p. 2580-Article in journal (Refereed)
  • 30.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Sehlin, Emma
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Chemistry.
    Andersson, Patrik L
    Umeå University, Faculty of Science and Technology, Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Comparison of techniques for estimating PAH bioavailability: uptake in Eisenia fetida, passive samplers and leaching using various solvents and additives.2007In: Environmental Pollution, ISSN 0269-7491, E-ISSN 1873-6424, Vol. 145, no 1, p. 154-60Article in journal (Refereed)
    Abstract [en]

    The aim of this study was to evaluate different techniques for assessing the availability of polycyclic aromatic hydrocarbons (PAHs) in soil. This was done by comparing the amounts (total and relative) taken up by the earthworm Eisenia fetida with the amounts extracted by solid-phase microextraction (SPME), semi-permeable membrane devices (SPMDs), leaching with various solvent mixtures, leaching using additives, and sequential leaching. Bioconcentration factors of PAHs in the earthworms based on equilibrium partitioning theory resulted in poor correlations to observed values. This was most notable for PAHs with high concentrations in the studied soil. Evaluation by principal component analysis (PCA) showed distinct differences between the evaluated techniques and, generally, there were larger proportions of carcinogenic PAHs (4–6 fused rings) in the earthworms. These results suggest that it may be difficult to develop a chemical method that is capable of mimicking biological uptake, and thus estimating the bioavailability of PAHs.

    The total and relative amounts of PAHs extracted by abiotic techniques for assessing the bioavailability of PAHs was found to differ from the amounts taken up by Eisenia fetida.

    Keywords: Bioavailability; Polycyclic aromatic hydrocarbons; Earthworms; Leaching; Hydroxypropyl-β-cyclodextrin; Solid-phase microextraction; Semi-permeable membrane device

  • 31.
    Bidleman, Terry
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Agosta, Kathleen
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Agneta
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Brorström-Lundén, Eva
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Hansson, Katarina
    Laudon, Hjalmar
    Newton, Seth
    Nygren, Olle
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ripszam, Matyas
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Wiberg, Karin
    Atmospheric pathways of chlorinated pesticides and natural bromoanisoles in the northern Baltic Sea and its catchment2015In: Ambio, ISSN 0044-7447, E-ISSN 1654-7209, Vol. Suppl 3, no 44, p. 472-483Article in journal (Refereed)
    Abstract [en]

    Long-range atmospheric transport is a major pathway for delivering persistent organic pollutants to the oceans. Atmospheric deposition and volatilization of chlorinated pesticides and algae-produced bromoanisoles (BAs) were estimated for Bothnian Bay, northern Baltic Sea, based on air and water concentrations measured in 2011-2012. Pesticide fluxes were estimated using monthly air and water temperatures and assuming 4 months ice cover when no exchange occurs. Fluxes were predicted to increase by about 50 % under a 2069-2099 prediction scenario of higher temperatures and no ice. Total atmospheric loadings to Bothnian Bay and its catchment were derived from air-sea gas exchange and "bulk'' (precipitation ? dry particle) deposition, resulting in net gains of 53 and 46 kg year(-1) for endosulfans and hexachlorocyclohexanes, respectively, and net loss of 10 kg year(-1) for chlordanes. Volatilization of BAs releases bromine to the atmosphere and may limit their residence time in Bothnian Bay. This initial study provides baseline information for future investigations of climate change on biogeochemical cycles in the northern Baltic Sea and its catchment.

  • 32.
    Bidleman, Terry
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Agneta
    Umeå University, Faculty of Science and Technology, Umeå Marine Sciences Centre (UMF). Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Jantunen, Liisa M.
    Kucklick, John R.
    Kylin, Henrik
    Letcher, Robert J.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Wong, Fiona
    A review of halogenated natural products in Arctic, Subarctic and Nordic ecosystems2019In: Emerging Contaminants, ISSN 2405-6650, E-ISSN 2405-6642, Vol. 5, p. 89-115Article in journal (Refereed)
    Abstract [en]

    Halogenated natural products (HNPs) are organic compounds containing bromine, chlorine, iodine, and rarely fluorine. HNPs comprise many classes of compounds, ranging in complexity from halocarbons to higher molecular weight compounds, which often contain oxygen and/or nitrogen atoms in addition to halogens. Many HNPs are biosynthesized by marine bacteria, macroalgae, phytoplankton, tunicates, corals, worms, sponges and other invertebrates. This paper reviews HNPs in Arctic, Subarctic and Nordic ecosystems and is based on sections of Chapter 2.16 in the Arctic Monitoring and Assessment Program (AMAP) assessment Chemicals of Emerging Arctic Concern (AMAP, 2017) which deal with the higher molecular weight HNPs. Material is updated and expanded to include more Nordic examples. Much of the chapter is devoted to “bromophenolic” HNPs, viz bromophenols (BPs) and transformation products bromoanisoles (BAs), hydroxylated and methoxylated bromodiphenyl ethers (OH-BDEs, MeO-BDEs) and polybrominated dibenzo-p-dioxins (PBDDs), since these HNPs are most frequently reported. Others discussed are 2,2′ -dimethoxy-3,3′ ,5,5′ -tetrabromobiphenyl (2,2′ -dimethoxy-BB80), polyhalogenated 1′- methyl-1,2′-bipyrroles (PMBPs), polyhalogenated 1,1′ -dimethyl-2,2′ -bipyrroles (PDBPs), polyhalogenated N-methylpyrroles (PMPs), polyhalogenated N-methylindoles (PMIs), bromoheptyl- and bromooctyl pyrroles, (1R,2S,4R,5R,1′E)-2-bromo-1-bromomethyl-1,4-dichloro-5-(2′-chloroethenyl)-5- methylcyclohexane (mixed halogenated compound MHC-1), polybrominated hexahydroxanthene derivatives (PBHDs) and polyhalogenated carbazoles (PHCs). Aspects of HNPs covered are physicochemical properties, sources and production, transformation processes, concentrations and trends in the physical environment and biota (marine and freshwater). Toxic properties of some HNPs and a discussion of how climate change might affect HNPs production and distribution are also included. The review concludes with a summary of research needs to better understand the role of HNPs as “chemicals of emerging Arctic concern”.

  • 33.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Agosta, Kathleen
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Agneta
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Liljelind, Per
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Hegmans, Alyse
    Jantunen, Liisa M.
    Nygren, Olle
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Poole, Justen
    Ripszam, Matyas
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sea-air exchange of bromoanisoles and methoxylated bromodiphenylethers in the Northern Baltic2016In: Marine Pollution Bulletin, ISSN 0025-326X, E-ISSN 1879-3363, Vol. 112, no 1-2, p. 58-64Article in journal (Refereed)
    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.

  • 34.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Agosta, Kathleen
    Andersson, Agneta
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Nygren, Olle
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ripszam, Matyas
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Air-water exchange of brominated anisoles in the northern baltic sea2014In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 48, no 11, p. 6124-6132Article in journal (Refereed)
    Abstract [en]

    Bromophenols produced by marine algae undergo O-methylation to form bromoanisoles (BAs), which are exchanged between water and air. BAs were determined in surface water of the northern Baltic Sea (Gulf of Bothnia, consisting of Bothnian Bay and Bothnian Sea) during 2011-2013 and on a transect of the entire Baltic in September 2013. The abundance decreased in the following order: 2,4,6-tribromoanisole (2,4,6-TBA) > 2,4-dibromoanisole (2,4-DBA) ≫ 2,6-dibromoanisole (2,6-DBA). Concentrations of 2,4-DBA and 2,4,6-TBA in September were higher in the southern than in the northern Baltic and correlated well with the higher salinity in the south. This suggests south-to-north advection and dilution with fresh riverine water enroute, and/or lower production in the north. The abundance in air over the northern Baltic also decreased in the following order: 2,4,6-TBA > 2,4-DBA. However, 2,6-DBA was estimated as a lower limit due to breakthrough from polyurethane foam traps used for sampling. Water/air fugacity ratios ranged from 3.4 to 7.6 for 2,4-DBA and from 18 to 94 for 2,4,6-TBA, indicating net volatilization. Flux estimates using the two-film model suggested that volatilization removes 980-1360 kg of total BAs from Bothnian Bay (38000 km(2)) between May and September. The release of bromine from outgassing of BAs could be up to 4-6% of bromine fluxes from previously reported volatilization of bromomethanes and bromochloromethanes.

  • 35.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Agneta
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences. Umeå University, Faculty of Science and Technology, Umeå Marine Sciences Centre (UMF).
    Brugel, Sonia
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences. Umeå University, Faculty of Science and Technology, Umeå Marine Sciences Centre (UMF).
    Ericson, Lars
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Kupryianchyk, Darya
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lau, Danny C. P.
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Liljelind, Per
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundin, Lisa
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Anders
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bromoanisoles and Methoxylated Bromodiphenyl Ethers in Macroalgae from Nordic Coastal Regions2019In: Environmental Science: Processes & Impacts, ISSN 2050-7887, E-ISSN 2050-7895, p. 881-892Article in journal (Refereed)
    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.

  • 36.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Brorström-Lundén, Eva
    Hansson, Katarina
    Laudon, Hjalmar
    Nygren, Olle
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Atmospheric transport and deposition of bromoanisoles along a temperate to arctic gradient2017In: Environmental Science and Technology, ISSN 1086-931X, E-ISSN 1520-6912, Vol. 51, no 19, p. 10974-10982Article in journal (Refereed)
    Abstract [en]

    Bromoanisoles (BAs) arise from O-methylation of bromophenols, produced by marine algae and invertebrates. BAs undergo sea-air exchange and are transported over the oceans. Here we report 2,4-DiBA and 2,4,6-TriBA in air and deposition on the Swedish west coast (Råö) and the interior of arctic Finland (Pallas). Results are discussed in perspective with previous measurements in the northern Baltic region in 2011−2013. BAs in air decreased from south to north in the order Råö > northern Baltic > Pallas. Geometric mean concentrations at Pallas increased significantly (p < 0.05) between 2002 and 2015 for 2,4-DiBA but not for 2,4,6-TriBA. The logarithm of BA partial pressures correlated significantly to reciprocal air temperature at the coastal station Råö and over the Baltic, but only weakly (2,4-DiBA) or not significantly (2,4,6-TriBA) at inland Pallas. Deposition fluxes of BAs were similar at both sites despite lower air concentrations at Pallas, due to greater precipitation scavenging at lower temperatures. Proportions of the two BAs in air and deposition were related to Henry’s law partitioning and source regions. Precipitation concentrations were 10−40% of those in surface water of Bothnian Bay, northern Baltic Sea. BAs deposited in the bay catchment likely enter rivers and provide an unexpected source to northern estuaries. BAs may be precursors to higher molecular weight compounds identified by others in Swedish inland lakes.

  • 37.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Laudon, Hjalmar
    Nygren, Olle
    Lokalförsörjningsenheten, Umeå universitet.
    Svanberg, Staffan
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Chlorinated pesticides and natural brominated anisoles in air at three northern Baltic stations2017In: Environmental Pollution, ISSN 0269-7491, E-ISSN 1873-6424, Vol. 225, p. 381-389Article in journal (Refereed)
    Abstract [en]

    Abstract Polyurethane foam (PUF) disk passive samplers were deployed at one inland and two island locations in the Bothnian Bay region of the northern Baltic Sea. Uptake was linear over 81–147 d and a temperature range of −2.6 to 14.2 °C for organochlorine pesticides (OCPs) and current-use pesticides (CUPs) having log KOA ≥9 at ambient temperatures. Partial saturation of the PUF disks occurred for the more volatile OCPs hexachlorocyclohexanes (HCHs) and hexachlorobenzene (HCB), and for bromoanisoles (BAs), which are products of bromophenols released by natural and anthropogenic sources. Correction for nonlinear uptake of these was made using experimentally measured PUF-air partition coefficients. Passive-derived air concentrations of pesticides were uniform over the bay and agreed within a factor of 2 or better with levels determined by active (pumped) sampling at one of the island stations. Levels of OCPs were similar to those reported at background sites in the European and Canadian Arctic and at monitoring stations in the central Baltic and southern Scandinavia, indicating long-range transport. The insecticide chlorpyrifos was 10 times lower at bay stations than in the Canadian Arctic. Insight to sources and processes was gained by examining compound profiles. Fractions Falpha = α-HCH/(α-HCH + γ-HCH) and FTC = trans-chlordane/(trans-chlordane + cis-chlordane) at bay stations were higher than in the Norwegian and Finnish Arctic and similar to those at the southern monitoring stations. Volatilization of chlordanes from Baltic seawater may also modify FTC. Higher FTriBA = 2,4,6-TriBA/(2,4,6-TriBA + 2,4-DiBA) distinguished local volatilization from the Baltic Sea versus lower FTriBA found at the inland site and reported in air on the Norwegian coast, suggesting westerly transport from the Atlantic across Norway and Sweden.

  • 38.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Nygren, Olle
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Field estimates of polyurethane foam: air partition coefficients for hexachlorobenzene, alpha-hexachlorocyclohexane and bromoanisoles2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 159, p. 126-131Article in journal (Refereed)
    Abstract [en]

    Partition coefficients of gaseous semivolatile organic compounds (SVOCs) between polyurethane foam (PUF) and air (KPA) are needed in the estimation of sampling rates for PUF disk passive air samplers. We determined KPA in field experiments by conducting long-term (24-48 h) air sampling to saturate PUF traps and shorter runs (2-4 h) to measure air concentrations. Sampling events were done at daily mean temperatures ranging from 1.9 to 17.5 °C. Target compounds were hexachlorobenzene (HCB), alpha-hexachlorocyclohexane (α-HCH), 2,4-dibromoanisole (2,4-DiBA) and 2,4,6-tribromoanisole (2,4,6-TriBA). KPA (mL g(-1)) was calculated from quantities on the PUF traps at saturation (ng g(-1)) divided by air concentrations (ng mL(-1)). Enthalpies of PUF-to-air transfer (ΔHPA, kJ mol(-1)) were determined from the slopes of log KPA/mL g(-1) versus 1/T(K) for HCB and the bromoanisoles, KPA of α-HCH was measured only at 14.3 to 17.5 °C and ΔHPA was not determined. Experimental log KPA/mL g(-1) at 15 °C were HCB = 7.37; α-HCH = 8.08; 2,4-DiBA = 7.26 and 2,4,6-TriBA = 7.26. Experimental log KPA/mL g(-1) were compared with predictions based on an octanol-air partition coefficient (log KOA) model (Shoeib and Harner, 2002a) and a polyparameter linear free relationship (pp-LFER) model (Kamprad and Goss, 2007) using different sets of solute parameters. Predicted KP values varied by factors of 3 to over 30, depending on the compound and the model. Such discrepancies provide incentive for experimental measurements of KPA for other SVOCs.

  • 39.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Breakthrough during air sampling with polyurethane foam: What do PUF 2/PUF 1 ratios mean?2018In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 192, p. 267-271Article in journal (Refereed)
    Abstract [en]

    Frontal chromatography theory is applied to describe movement of gaseous semivolatile organic compounds (SVOCs) through a column of polyurethane foam (PUF). Collected mass fractions (FC) are predicted for sample volume/breakthrough volume ratios (τ = VS/VB) up to 6.0 and PUF bed theoretical plate numbers (N) from 2 to 16. The predictions assume constant air concentrations and temperatures. Extension of the calculations is done to relate the collection efficiency of a 2-PUF train (FC1+2) to the PUF 2/PUF 1 ratio. FC1+2 exceeds 0.9 for PUF 2/PUF 1 ≤ 0.5 and lengths of PUF commonly used in air samplers. As the PUF 2/PUF 1 ratio approaches unity, confidence in these predictions is limited by the analytical ability to distinguish residues on the two PUFs. Field data should not be arbitrarily discarded because some analytes broke through to the backup PUF trap. The fractional collection efficiencies can be used to estimate air concentrations from quantities retained on the PUF trap when sampling is not quantitative.

  • 40. Bjerselius, Richard
    et al.
    Aune, Marie
    Danerud, Per Ola
    Andersson, Arne
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Bergek, Sture
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lundstedt Enkel, Katrin
    Karlsson, Lars
    Appelberg, Magnus
    Arrhenius, Fredrik
    Wickström, Håkan
    Glynn, Anders
    Study of Dioxin Levels in Fatty Fish from Sweden 2001-2002: Part II2003In: Organohalogen Compounds, Vol. 62, p. 193-6Article in journal (Refereed)
  • 41. Bjerselius, Rickard
    et al.
    Aune, Marie
    Darnerud, Per Ola
    Atuma, Samuel
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Bergek, Sture
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lundstedt, Katrin
    Karlsson, Lars
    Appelberg, Magnus
    Glynn, Anders
    Study of dioxin levels in fatty fish from Sweden2002In: Organohalogen Compounds, Vol. 57, p. 189-92Article in journal (Refereed)
  • 42. Bjerselius, Rickard
    et al.
    Aune, Marie
    Darnerud, Per Ola
    Atuma, Samuel
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Bergek, Sture
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lundstedt-Enkel, Katrin
    Karlsson, Lars
    Appelberg, Magnus
    Glynn, Anders
    PCDD/PCDF contribute with half of the total TEQ found in fatty fish from the Baltic Sea2002In: Organohalogen Compounds, Vol. 57, p. 209-12Article in journal (Refereed)
  • 43. Björlenius, Berndt
    et al.
    Ripszám, Mátyás
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lindberg, Richard H.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Pharmaceutical residues are widespread in Baltic Sea coastal and offshore waters: Screening for pharmaceuticals and modelling of environmental concentrations of carbamazepine2018In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 633, p. 1496-1509Article in journal (Refereed)
    Abstract [en]

    The consumption of pharmaceuticals worldwide coupled with modest removal efficiencies of sewage treatment plants have resulted in the presence of pharmaceuticals in aquatic systems globally. In this study, we investigated the environmental concentrations of a selection of 93 pharmaceuticals in 43 locations in the Baltic Sea and Skagerrak. The Baltic Sea is vulnerable to anthropogenic activities due to a long turnover time and a sensitive ecosystem in the brackish water. Thirty-nine of 93 pharmaceuticals were detected in at least one sample, with concentrations ranging between 0.01 and 80 ng/L. One of the pharmaceuticals investigated, the anti-epileptic drug carbamazepine, was widespread in coastal and offshore seawaters (present in 37 of 43 samples). In order to predict concentrations of pharmaceuticals in the sub-basins of the Baltic Sea, a mass balance-based grey box model was set up and the persistent, widely used carbamazepine was selected as the model substance. The model was based on hydrological and meteorological sub-basin characteristics, removal data from smaller watersheds and wastewater treatment plants, and statistics relating to population, consumption and excretion rate of carbamazepine in humans. The grey box model predicted average environmental concentrations of carbamazepine in sub-basins with no significant difference from the measured concentrations, amounting to 0.57–3.2 ng/L depending on sub-basin location. In the Baltic Sea, the removal rate of carbamazepine in seawater was estimated to be 6.2 10−9 s−1 based on a calculated half-life time of 3.5 years at 10 °C, which demonstrates the long response time of the environment to measures phasing out persistent or slowly degradable substances such as carbamazepine. Sampling, analysis and grey box modelling were all valuable in describing the presence and removal of carbamazepine in the Baltic Sea.

  • 44. Carlsson, Carina
    et al.
    Harju, Mikael
    Umeå University, Faculty of Science and Technology, Chemistry.
    Bahrami, Fariba
    Cantillana, Tatiana
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Brandt, Ingvar
    Olfactory mucosal toxicity screening and multivariate QSAR modeling for chlorinated benzene derivatives2004In: Archives of Toxicology, Vol. 78, no 12, p. 706-715Article in journal (Refereed)
    Abstract [en]

    The olfactory mucosa (OM) is an important target for metabolism-dependent toxicity of drugs and chemicals. Several OM toxicants share a 2,6-dichlorinated benzene structure. The herbicides dichlobenil (2,6-dichlorobenzonitrile) and chlorthiamide (2,6-dichlorothiobenzamide) and the environmental dichlobenil metabolite 2,6-dichlorobenzamide all induce toxicity in the OM following covalent binding in the Bowmans glands. In addition, we have shown that 2,6-dichlorophenyl methylsulfone targets the Bowmans glands and is probably the most potent OM toxicant so far described. These findings suggest that the 2,6-positioning of chlorines in combination with an electron-withdrawing group in the primary position of the benzene ring is an arrangement that facilitates OM toxicity. This study examined the physicochemical characteristics of the 2,6-dichlorinated OM toxicants. A number of 2,6-dichlorinated benzene derivatives with various types of substituents in primary position were tested for OM toxicity in mice. In addition, some other 2,6- and 2,5-substituted benzene derivatives were examined. Two novel OM toxicants, 2,6-dichlorobenzaldehyde oxime and 2,6-dichloronitrobenzene, were identified. By the use of partial least squares projection to latent structures with discriminant analysis (PLS-DA) a preliminary quantitative structure-activity relationship (QSAR) model was built also using reported OM toxicity data. Physicochemical properties positively correlated with olfactory mucosal toxicity were identified as molecular dipolar momentum and the electronic properties of the substituent. Inversely correlated descriptors were variables describing the hydrophobicity, electronic properties of the molecule such as electron affinity and the electronic charge on the primary carbon. In conclusion, this preliminary PLS-DA model shows that a 2,6-dichlorinated benzene derivative with a large, polar, and strong electron-withdrawing substituent in the primary position has the potential of being a potent OM toxicant in mice.

  • 45. Chilkoor, Govinda
    et al.
    Upadhyayula, Venkata Krishna Kumar
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Gadhamshetty, Venkataramana
    Koratkar, Nikhil
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sustainability of renewable fuel infrastructure: a screening LCA case study of anticorrosive graphene oxide epoxy liners in steel tanks for the storage of biodiesel and its blends2017In: Environmental Science: Processes & Impacts, ISSN 2050-7887, E-ISSN 2050-7895, Vol. 19, no 2, p. 141-153Article in journal (Refereed)
    Abstract [en]

    Biodiesel is a widely used fuel that meets the renewable fuel standards developed under Energy Policy Act of 2005. However, biodiesel is known to pose a series of abiotic and biotic corrosion risks to storage tanks. A typical practice (incumbent system) used to protect the tanks from the risks include: (i) coat the interior surface of the tank with solvent free epoxy (SFE) liner, and (ii) add a biocide in the tank. We present a screening-level, life cycle assessment study to evaluate and compare the environmental performance of graphene-oxide (GO)-epoxy (GOE) liner with the incumbent system. TRACI is used as an impact assessment tool to model midpoint environmental impacts for the ten categories: global warming potential (GWP, kg CO2 eq.); acidification potential (AP, kg SO2 eq.); potential human health damage impacts due to carcinogens (HH-CP, CTUh) and non-carcinogens (HH-NCP, CTUh); potential respiratory effects (REP, kg PM2.5 eq); eutrophication potential (EP, kg N eq); ozone depletion potential (ODP kg CFC-11 eq); ecotoxicity potential (ETXP, CTUe); smog formation potential (SFP kg O3 eq); and fossil fuel depletion potential (FFDP MJ surplus). The equivalent functional unit of the LCA study is designed to protect the 30 m2 of the interior surface (unalloyed steel sheet) of a 10,000 liters biodiesel tank against abiotic and biotic corrosion during its service life of 20 years. Overall, this LCA study highlights an improved environmental performance for the GOE liner compared to the incumbent system; GOE-liner system showed: 91% lower ODP impacts; 59% smaller for REP; 62% smaller for AP; 67-69% smaller for GWP and HH-CP; 72-76% smaller for EP, SFP, and FFDP; and 81-83% smaller for ETXP and HH-NCP categories. The scenario analysis study reveals that these potential impacts change by less than 15% when the GOE liners are functionalized with silanized-GO nanosheets or GO-reinforced, polyvinyl carbazole to improve the antimicrobial properties. The results from uncertainty analysis indicate that the impacts for the incumbent system are more sensitive to changes in key modeling parameters compared to that for GOE liner system.

  • 46. Cornelissen, Gerard
    et al.
    Cousins, Ian T
    Wiberg, Karin
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Holmström, Henning
    Broman, Dag
    Black carbon-dominated PCDD/Fs sorption to soils at a former wood impregnation site2008In: Chemosphere, Vol. 72, no 10, p. 1455-61Article in journal (Refereed)
    Abstract [en]

    The influence of black carbon (BC) on the sorption of 17 native polychlorinated-p-dibenzodioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) was studied in five soil samples from a sawmill site where wood used to be impregnated with chlorophenol preservatives. The presence of BC caused measured total organic carbon (TOC)-water distribution ratios (KTOC) to be a median factor of 51 (interquartile range 18-68, n = 85) higher than modeled amorphous organic carbon (AOC)-water distribution ratios (KAOC). KTOC was a factor of 73 ± 27 above KAOC for PCDFs (n = 10) and a factor of 20 ± 13 (n = 7) for PCDDs. The reason for this difference is probably that attaining a planar configuration after sorption to BC is less thermodynamically favorable for PCDDs than for PCDFs. BC-water distribution ratios were calculated from KTOC, KAOC and BC contents, and ranged from 109.9 (2,3,7,8-Tetra-CDD) to 1011.5 l kg-1 (Octa-CDF). More than 90% of the PCDD/Fs in the soil was calculated to be BC-sorbed. Dissolved organic carbon (DOC)-water distribution ratios were measured to be in the same order of magnitude as KAOC. This study shows that strong sorption to BC should be included when assessing ecotoxicological risk or modeling transport to groundwater of PCDD/Fs in soil.

  • 47.
    Danielsson, Conny
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Harju, Mikael
    Halldin, Krister
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Chemistry.
    Comparison of Levels of PCDD/Fs and non-Ortho PCBs in PCB 153 from seven different suppliers2008In: Organohalogen Compounds, Vol. 70, p. 001201-3Article in journal (Refereed)
    Abstract [en]

    Twelve PCBs with dioxin-like (DL) properties have been carefully studied through the years to facilitate risk assessment and they have been assigned WHO-TEF values [1] based on their relative toxicity and endocrine effects compared to 2,3,7,8-TCDD. From a toxicological point of view, the non-dioxin-like PCBs (NDL-PCBs) are less characterized but usually account for more than 90% of the total mass of PCBs in food samples [2]. Furthermore, over 90% of the NDL-PCB exposure in the general population is via food and the average daily intake can be estimated to be 10-45 ng/kg (bw)/day according to the European Food Safety Authority EFSA [3]. The EFSA committee concluded that a proper risk assessment of this abundant and environmentally significant class of compounds could not be accomplished. In 2006, the European Commission initiated a project which has as its aim to better examine the toxicity of NDL-PCBs: ATHON- "Assessing the toxicity and hazard of nondioxin-like PCBs present in food". The ATHON project will perform all in vivo and in vitro studies with ultra pure PCBs with known levels of DL-PCBs, PCDD/Fs and total TEQ-levels. As a first step in this study the major suppliers of PCB 153 were identified and the aim of the research was to investigate if there were any clear differences in the quality of their products based on possible impurities of PCDD/Fs and non-ortho PCBs. PCB 153 was selected because of its relatively high presence in environmental compartments and biota and since it has been the most frequently studied NDL-PCB in a few major in vivo studies [2]. Impurities of PCDD/Fs and DL-PCBs, even at trace levels, in PCB 153 may make a significant contribution to the effects seen in in vivo studies as the highest concentrations being studied are at mg/g (bw)/day during a period of time. These high daily exposure levels in combination with possible accumulation of toxic impurities may by time pose a threat to the significance of observed effects. Within the ATHON project all NDL-PCBs used for both in vitro and in vivo tests are analyzed and in many cases purified to remove possible traces of PCDD/Fs and non-ortho PCBs.

  • 48. De Wit, C
    et al.
    Sellström, U
    Lundgren, N
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Higher brominated diphenyl1L ethers in earthworms and reference and sewage -sludge amendedsoils2005In: Organohalogen Compounds, p. 575-578Article in journal (Refereed)
  • 49. Eriksson, Lennart
    et al.
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Chemistry.
    Johansson, Erik
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Multivariate biological profiling and principal toxicity regions of compounds: the PCB case study2002In: Journal of Chemometrics, Vol. 16, no 8-10, p. 497-509Article in journal (Refereed)
    Abstract [en]

    The chemometric QSAR strategy, as applied in environmental sciences and drug design, is based on (1) multivariate characterization of chemical structure, (2) multivariate design in the principal properties of a set of compounds to select a representative training set, and (3) multivariate modelling of the structure-activity relationships. A multivariate QSAR investigation is often commenced by applying a screening design, and the selected compounds are tested biologically in a broad battery of test systems (multivariate biological profiling). In many cases the result is such that for certain biological end-points only some of the tested compounds are active, while for another set of biological end-points other tested chemicals are active. In other words, when looking at the chemical property space, there may be both responding and non-responding toxicity regions, or even regions of very specific toxicity mechanisms. This may lead to loss of resolution and balance in the resulting QSAR models. Therefore it might sometimes be worthwhile to focus the QSAR modelling on parts of the chemical space where high toxicity is expected or known to be the case. In this paper we describe a multi-stage modification of the chemometric QSAR strategy, aimed at identifying focused sets of compounds that provide a good mapping of such principal toxicity regions. This strategy is based on PCA, PLS and multivariate design in several stages. The strategy is illustrated using a data set of polychlorinated biphenyls, a set of compounds for which seven biological end-points were determined. Copyright © 2002 John Wiley & Sons, Ltd.

  • 50. Eriksson, Lennart
    et al.
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Johansson, Erik
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Sandberg, Maria
    Wold, Svante
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    The Constrained Principal Property (CPP) Space in QSAR---Directional and Non-Directional Modelling Approaches2000In: Molecular Modeling and Prediction of Bioactivity, Kluwer Academic/Plenum Publishers , 2000, p. 65-70Chapter in book (Other academic)
12345 1 - 50 of 210
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