umu.sePublications
Change search
Refine search result
1234 1 - 50 of 177
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf
Rows per page
  • 5
  • 10
  • 20
  • 50
  • 100
  • 250
Sort
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
  • Standard (Relevance)
  • Author A-Ö
  • Author Ö-A
  • Title A-Ö
  • Title Ö-A
  • Publication type A-Ö
  • Publication type Ö-A
  • Issued (Oldest first)
  • Issued (Newest first)
  • Created (Oldest first)
  • Created (Newest first)
  • Last updated (Oldest first)
  • Last updated (Newest first)
Select
The maximal number of hits you can export is 250. When you want to export more records please use the 'Create feeds' function.
  • 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, 214-ENVR- p.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, 790-797 p.Article 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, S345-S356 p.Article 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, 519-30 p.Article 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, 171-185 p.Article 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, 1088-1092 p.Article 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, 51-74 p.Chapter 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, 1454-1463 p.Article 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, 1454-63 p.Article 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, 2061-5 p.Article in journal (Refereed)
  • 12. 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, 42-49 p.Article 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.

  • 13.
    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, 947-953 p.Article 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.

  • 14.
    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)
  • 15.
    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, 9531-9539 p.Article 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.

  • 16. 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, 378-81 p.Article in journal (Refereed)
  • 17.
    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, 26-35 p.Article 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.

  • 18.
    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)
  • 19.
    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, 220-227 p.Article 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.

  • 20.
    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, 1867-70 p.Article in journal (Refereed)
  • 21.
    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, 2208-2215 p.Article 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.

  • 22.
    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, 1861-1866 p.Article 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.

  • 23.
    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, 208-17 p.Article 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.

  • 24.
    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, 2964-2969 p.Article 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.

  • 25.
    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, 2580- p.Article in journal (Refereed)
  • 26.
    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, 154-60 p.Article 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

  • 27.
    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, 472-483 p.Article 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.

  • 28.
    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, 6124-6132 p.Article 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.

  • 29.
    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, 126-131 p.Article 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.

  • 30. 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, 193-6 p.Article in journal (Refereed)
  • 31. 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, 189-92 p.Article in journal (Refereed)
  • 32. 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, 209-12 p.Article in journal (Refereed)
  • 33. 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, 706-715 p.Article 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.

  • 34. 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, 1455-61 p.Article 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.

  • 35.
    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, 001201-3 p.Article 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.

  • 36. 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, 575-578 p.Article in journal (Refereed)
  • 37. 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, 497-509 p.Article 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.

  • 38. 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, 65-70 p.Chapter in book (Other academic)
  • 39. Eriksson, Lennart
    et al.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Johansson, Erik
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Megavariate analysis of environmental QSAR data. Part I--a basic framework founded on principal component analysis (PCA), partial least squares (PLS), and statistical molecular design (SMD)2006In: Molecular Diversity, ISSN 1381-1991, Vol. 10, no 2, 169-86 p.Article in journal (Refereed)
    Abstract [en]

    This paper introduces principal component analysis (PCA), partial least squares projections to latent structures (PLS), and statistical molecular design (SMD) as useful tools in deriving multi- and megavariate quantitative structure-activity relationship (QSAR) models. Two QSAR data sets from the fields of environmental toxicology and environmental chemistry are worked out in detail, showing the benefits of PCA, PLS and SMD. PCA is useful when overviewing a data set and exploring relationships among compounds and relationships among variables. PLS is the regression extension of PCA and is used for establishing QSARs. SMD is essential for selecting informative training and test sets of compounds for QSAR calibration and validation.

  • 40. Eriksson, Lennart
    et al.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Johansson, Erik
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Megavariate analysis of environmental QSAR data. Part II--investigating very complex problem formulations using hierarchical, non-linear and batch-wise extensions of PCA and PLS.2006In: Molecular Diversity, ISSN 1381-1991, Vol. 10, no 2, 187-205 p.Article in journal (Refereed)
    Abstract [en]

    Three extensions of the basic PCA and PLS methodologies are described. These extensions are hierarchical, non-linear and batch-based in nature. The objectives of these methods are to assist in problem understanding and problem solving in very complex (QSAR) problem formulations. The method extensions are illustrated using two example QSAR data sets containing many X- and Y-variables.

  • 41.
    Fick, Jerker
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Chemistry.
    Johansson, M
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Selection of antibiotics: A chemometric approach2004In: 4th International Conference on Pharmaceuticals and Endocrine Disrupting Chemicals in Water, Minneapolis, USA, 2004, 143-50 p.Conference paper (Other academic)
  • 42.
    Fick, Jerker
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Grabic, Roman
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Larsson, Joakim D G
    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.
    Bioconcentration of Pharmaceuticals2010In: Towards Sustainable Pharmaceuticals in a Healthy Society: MistraPharma Research / [ed] Christina Rudén, Karin Liljelund, Helene Hagerman, Stockholm: Elander Sverige AB , 2010, 1, 36-45 p.Chapter in book (Other academic)
    Abstract [en]

    Residues of human pharmaceuticals have been widely detected in various parts of the environment and trace concentrations are often found in sewage effl uent and surface waters, typically ranging from low ng L-1 to low μg L-1 levels (Lindberg et al., 2005; Nikolaou et al., 2007; Loos et al., 2009). These concentrations, however, are orders of magnitude below the therapeutic concentrations reached in human blood plasma. Thus, the potential for a physiological impact of pharmaceuticals on water-living organisms (such as fi sh) have been questioned. On the other hand, the levels measured in surface waters do not simply mirror the levels encountered by the receptors or enzymes present inside the fi sh living in these waters. Indeed, levels of pharmaceutical in for example fi sh blood plasma is sometimes much higher than the levels in the surrounding water. This can be explained by the concepts of bioconcentration and bioaccumulation.

  • 43.
    Fick, Jerker
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lindberg, Richard H
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Parkkonen, Jari
    Arvidsson, Björn
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Larsson, D G Joakim
    Therapeutic levels of levonorgestrel detected in blood plasma of fish: results from screening rainbow trout exposed to treated sewage effluents2010In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 44, no 7, 2661-2666 p.Article in journal (Refereed)
    Abstract [en]

    Pharmaceuticals are found in surface waters worldwide, raising concerns about effects on aquatic organisms. Analyses of pharmaceuticals in blood plasma of fish could provide means to assess risk for pharmacological effects, as these concentrations could be compared with available human therapeutic plasma levels. In this study we investigated if fish exposed to sewage effluents have plasma concentrations of pharmaceuticals that are approaching human therapeutic levels. We also evaluated how well the bioconcentration of pharmaceuticals into fish blood plasma can be predicted based on lipophilicity. Rainbow trout were exposed to undiluted, treated sewage effluents at three sites in Sweden for 14 days. Levels of 25 pharmaceuticals in blood plasma and effluents were analyzed with liquid chromatography-mass spectrometry/mass spectrometry and gas chromatography-high resolution mass spectrometry. The progestin pharmaceutical levonorgestrel was detected in fish blood plasma at concentrations (8.5-12 ng mL(-1)), exceeding the human therapeutic plasma level. In total 16 pharmaceuticals were detected in fish plasma at concentrations higher than 1/1000 of the human therapeutic plasma concentration. Twenty-one pharmaceuticals were detected in either plasma or effluent, and 14 were detected in both compartments, allowing plasma bioconcentration factors to be determined. For 11 of these, theoretically calculated and experimentally measured values were in reasonably good agreement. However a few drugs, including levonorgestrel, did not bioconcentrate according to the screening model used. This study shows that rainbow trout exposed to sewage effluents have blood plasma levels of pharmaceuticals similar to human therapeutic concentrations, suggesting a risk for pharmacological effects in the fish. There is a particular concern about effects of progestin pharmaceuticals. For levonorgestrel, the measured effluent level (1 ng/L) was higher than water levels shown to reduce the fertility of fish.

  • 44.
    Fick, Jerker
    et al.
    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.
    Larsson, D G Joakim
    Predicted critical environmental concentrations for 500 pharmaceuticals2010In: Regulatory toxicology and pharmacology, ISSN 0273-2300, E-ISSN 1096-0295, Vol. 58, no 3, 516-23 p.Article in journal (Refereed)
    Abstract [en]

    A growing number of pharmaceuticals are found in surface waters worldwide, raising concerns about their effects on aquatic organisms and it is a major challenge to develop a rational strategy for prioritizing drugs on which to focus the most extensive environmental research efforts. However, in contrast to most other chemicals, very good understanding of the human potency of pharmaceuticals has been obtained through efficacy and safety testing. Assuming that a drug acts primarily through the same target(s) also in a non-target species, it would be possible to predict the likelihood for pharmacological interactions in wildlife. Among aquatic organisms, fish most often share drug targets with humans. In this study, we have calculated the predicted critical environmental concentration (CECs), i.e. the surface water concentration expected to cause a pharmacological effect in fish, for 500 pharmaceuticals, assuming equivalent pharmacological activity. The CECs are based on literature data on human potencies together with a predicted bioconcentration factor in fish for each drug based on lipophilicity. We propose that CECs could be used as preliminary indicators of specific drugs' potential to cause adverse pharmacological effects at specific water concentrations, used when selecting pharmaceuticals to include in screening campaigns and for assessing relevant detection limits.

  • 45.
    Fick, Jerker
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lindberg, Richard
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haemig, Paul D
    Waldenström, Jonas
    Olsen, Björn
    Antiviral oseltamivir is not removed or degraded in normal sewage water treatment: implications for development of resistance by influenza A virus2007In: PLoS ONE, ISSN 1932-6203, E-ISSN 1932-6203, Vol. 2, no 10Article in journal (Refereed)
    Abstract [en]

    Oseltamivir is the main antiviral for treatment and prevention of pandemic influenza. The increase in oseltamivir resistance reported recently has therefore sparked a debate on how to use oseltamivir in non pandemic influenza and the risks associated with wide spread use during a pandemic. Several questions have been asked about the fate of oseltamivir in the sewage treatment plants and in the environment. We have assessed the fate of oseltamivir and discuss the implications of environmental residues of oseltamivir regarding the occurrence of resistance. A series of batch experiments that simulated normal sewage treatment with oseltamivir present was conducted and the UV-spectra of oseltamivir were recorded. Findings: Our experiments show that the active moiety of oseltamivir is not removed in normal sewage water treatments and is not degraded substantially by UV light radiation, and that the active substance is released in waste water leaving the plant. Our conclusion is that a ubiquitous use of oseltamivir may result in selection pressures in the environment that favor development of drug-resistance.

  • 46.
    Fick, Jerker
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Söderström, Hanna
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lindberg, Richard H
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Phan, Chau
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Larsson, D G Joakim
    Contamination of surface, ground, and drinking water from pharmaceutical production2009In: Environmental Toxicology and Chemistry, ISSN 0730-7268, E-ISSN 1552-8618, Vol. 28, no 12, 2522-2527 p.Article in journal (Refereed)
    Abstract [en]

    Low levels of pharmaceuticals are detected in surface, ground, and drinking water worldwide. Usage and incorrect disposal have been considered the major environmental sources of these micro-contaminants. Recent publications, however, suggest that wastewater from drug production can potentially be a source of much higher concentrations in certain locations. We investigated the environmental fate of active pharmaceutical ingredients in a major production area for the global bulk-drug market. Water samples were taken from a common effluent treatment plant near Hyderabad, India, which receives process water from about 90 bulk drug manufacturers. Surface water was analyzed from the recipient stream and from two lakes that are not contaminated by the treatment plant. Water samples were also taken from wells in six nearby villages. The samples were analyzed for the presence of twelve pharmaceuticals with LC-MS/MS. All wells were determined to be contaminated with drugs. Ciprofloxacin, enoxacin, cetirizine, terbinafine and citalopram were detected at >1microg l-1 in several wells. Very high concentrations of ciprofloxacin (up to 14 mg L-1) and other pharmaceuticals (up to 2 mg L-1) were found in the effluent of the treatment plant and in the two lakes (up to 6.5 mg L-1). Thus, insufficient wastewater treatment in one of the world's largest centers for bulk drug production leads to unprecedented drug contamination of surface, ground, and drinking water. This raises serious concerns regarding the development of antibiotic resistance, and it creates a major challenge for producers and regulatory agencies to improve the situation.

  • 47. Frankki, Sofia
    et al.
    Persson, Ylva
    Umeå University, Faculty of Science and Technology, Chemistry.
    Shchukarev, Andrey
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Partitioning of chloroaromatic compounds between the aqueous phase and dissolved and particulate soil organic matter at chlorophenol contaminated sites2007In: Environmental Pollution, Vol. 148, no 1, 182-90 p.Article in journal (Refereed)
    Abstract [en]

    The retention and mobility of hydrophobic organic contaminants (HOCs) in soil is mainly determined by hydrophobic partitioning to dissolved and particulate organic matter (DOM and POM, respectively). The aqueous phase, DOM, and POM fractions were extracted and separated from soils at three sites contaminated with technical chlorophenol formulations. Concentrations of chlorophenols (CP), polychlorinated phenoxyphenols (PCPP), polychlorinated diphenyl ethers (PCDE) and polychlorinated dibenzo-p-dioxins and furans (PCDD/F) were determined. The partitioning to POM, in relation to DOM, increased in all three soils with increasing hydrophobicity in the order CP < PCPP PCDE PCDF < PCDD. Differences in partitioning to DOM (log KDOC) and POM (log KPOC) could not be explained by differences in gross organic C chemistry. Black carbon did not contribute significantly to the sorption of PCDDs, whereas >70% wood fibre in one soil resulted in a decrease of log KPOC of 0.5 units for CPs and PCDDs. We conclude that log KOC for both DOM and POM need to be explicitly determined when the retention and mobility of HOCs is described and modelled in soils.

    Increasing hydrophobicity of organic compounds increases the partitioning to particulate natural organic matter relative to dissolved natural organic matter.

  • 48. Frankki, Sofia
    et al.
    Persson, Ylva
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Skyllberg, Ulf
    Partitioning of CPs, PCDEs, and PCDD/Fs between particulate and experimentally2006In: Environmental Science & Technology, ISSN 0013-936X, Vol. 40, no 21, 6668-73 p.Article in journal (Refereed)
    Abstract [en]

    We determined the distribution of hydrophobic organic contaminants (HOCs) to fractions of natural organic matter in a soil contaminated by chlorophenol wood preservatives more than 30 years ago. The concentration of dissolved organic matter (DOM) was enhanced in soil suspensions by raising pH to 6.8-9.1. After 48 h of desorption/equilibration, the DOM fraction was separated from the particulate organic matter (POM) of the soil by filtration. In the next step, DOM was flocculated by Al-nitrate, and free concentrations of HOCs were determined in the aqueous phase. The HOCs associated with DOM and POM were extracted with toluene. No significant differences in gross carbon chemistry were detected between DOM and POM, using X-ray photoelectron spectroscopy (XPS). Normalized to organic C, chlorophenols (CPs) showed a similar degree of partitioning between DOM and POM, whereas the partitioning of polychlorinated diphenyl ethers (PCDEs), polychlorinated dibenzo-p-dioxins, and furans (PCDD/Fs) was highly shifted toward POM. The partitioning to POM, relative to DOM, increased in the order PCDE < PCDF < PCDD, reflecting the hydrophobicity of the compounds.

  • 49. Frankki, Sofia
    et al.
    Persson, Ylva
    Umeå University, Faculty of Science and Technology, Chemistry.
    Öberg, Lars
    Umeå University, Faculty of Science and Technology, Chemistry.
    Skyllberg, Ulf
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Mobility of Chloroaromatic Compounds in Soil: Case Studies of Swedish Chlorophenol-contaminated Sawmill Sites2007In: AMBIO: A Journal of the Human Environment, Vol. 36, no 6, 452–7- p.Article in journal (Refereed)
    Abstract [en]

    This paper summarizes recent studies on the environmental fate of chloroaromatic compounds in chlorophenol (CP)-contaminated soil and groundwater at Swedish sawmill sites. Relative proportions of CPs, polychlorinated phenoxy phenols (PCPPs), polychlorinated diphenyl ethers (PCDEs), polychlorinated dibenzo-p-dioxins (PCDDs), and polychlorinated dibenzofurans (PCDFs) were determined in preservatives, particulate organic matter (POM), dissolved organic matter (DOM), groundwater, and particles filtered from groundwater. All compound classes were found in the different compartments. The fraction of PCPPs, PCDEs, PCDDs, and PCDFs had increased in the soil samples relative to the proportions in the preservatives. This increase showed correlation with the hydrophobicity, that is, PCDDs had the largest increase. Similar correlation was found between hydrophobicity and the importance of partitioning to POM over DOM. The more water soluble compound group, CP, was found equally distributed between POM and DOM. For PCPPs, PCDEs, PCDDs, and PCDFs, the relative partitioning to POM increased with increased hydrophobicity. Despite the relative partitioning towards POM, compared with DOM, cotransport with DOM and suspended colloidal fractions was found to substantially increase the transport of these compounds in the groundwater samples.

  • 50. Gadomski, Damien
    et al.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Irvine, R
    Andersson, Rolf
    Umeå University, Faculty of Science and Technology, Chemistry.
    The possible role of oxides and/or elements in the transformation of PCDDs in US ball clayy exhibiting the 'natural formation' pattern2004In: Organohalogen Compounds, Vol. 66, 424-30 p.Article in journal (Refereed)
1234 1 - 50 of 177
CiteExportLink to result list
Permanent link
Cite
Citation style
  • apa
  • ieee
  • modern-language-association-8th-edition
  • vancouver
  • Other style
More styles
Language
  • de-DE
  • en-GB
  • en-US
  • fi-FI
  • nn-NO
  • nn-NB
  • sv-SE
  • Other locale
More languages
Output format
  • html
  • text
  • asciidoc
  • rtf