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  • 1. Al-Anati, Lauy
    et al.
    Viluksela, Matti
    Strid, Anna
    Bergman, Åke
    Andersson, Patrik L
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Stenius, Ulla
    Högberg, Johan
    Hydroxyl metabolite of PCB 180 induces DNA damage signaling and enhances the DNA damaging effect of benzo[a]pyrene2015In: Chemico-Biological Interactions, ISSN 0009-2797, E-ISSN 1872-7786, Vol. 239, p. 164-173Article in journal (Refereed)
    Abstract [en]

    Non-dioxin-like (NDL) polychlorinated biphenyls (PCBs) and their hydroxyl metabolites (OH-PCBs) are ubiquitous environmental contaminants in human tissues and blood. The toxicological impact of these metabolites is poorly understood. In this study rats were exposed to ultrapure PCB180 (10-1000 mg/kg bw) for 28 days and induction of genotoxic stress in liver was investigated. DNA damage signaling proteins (pChk1Ser317 and gamma H2AXSer319) were increased dose dependently in female rats. This increase was paralleled by increasing levels of the metabolite 3'-OH-PCB180. pChk1 was the most sensitive marker. In in vitro studies HepG2 cells were exposed to 1 mu M of PCB180 and 3'-OH-PCB180 or the positive control benzo[a]pyrene (BaP, 5 mu M). 3'-OH-PCB180, but not PCB180, induced CYP1A1 mRNA and gamma H2AX. CYP1A1 mRNA induction was seen at 1 h, and gamma H2AX at 3 h. The anti-oxidant N-Acetyl-L-Cysteine (NAC) completely prevented, and 17 beta-estradiol amplified the gamma H2AX induction by 3'-OH-PCB180. As 3'-OH-PCB180 induced CYP1A1, a major BaP-metabolizing and activating enzyme, interactions between 3'-OH-PCB180 and BaP was also studied. The metabolite amplified the DNA damage signaling response to BaP. In conclusion, metabolism of PCB180 to its hydroxyl metabolite and the subsequent induction of CYP1A1 seem important for DNA damage induced by PCB180 in vivo. Amplification of the response with estradiol may explain why DNA damage was only seen in female rats.

  • 2.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Berg, A. H.
    Bjerselius, R.
    Norrgren, L.
    Olsson, P.-E.
    Örn, S.
    Tysklind, Mats
    Uptake and elimination of selected PCBs in zebra fish, three-spined stickleback and arctic char after three different routes of exposure2001In: Archives of Environmental Contamination and Toxicology, ISSN 0090-4341, E-ISSN 1432-0703, Vol. 40, no 4, p. 519-530Article 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.

  • 3.
    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.

  • 4.
    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.

  • 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.
    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.

  • 6.
    Andersson, Patrik L
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Rännar, Stefan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    A Multivariate Chemical Similarity Approach to Search for Drugs of Potential Environmental Concern2011In: Journal of chemical information and modeling, ISSN 1549-960X, Vol. 51, no 8, p. 1788-1794Article in journal (Refereed)
    Abstract [en]

    A structural similarity tool was developed and aimed to search for environmentally persistent drugs. The basis for the tool was a selection of so-called anchor molecules and a multidimensional chemical map of drugs. The map was constructed using principal component analysis covering 899 drugs described by 67 diverse calculated chemical descriptors. The anchor molecules (diclofenac, trimethoprim, and carbamazepine) were selected to represent drugs of known environmental concern. In addition 12 chemicals listed by the Stockholm Convention on persistent organic pollutants were used representing typical environmental pollutants. Chemical similarity was quantified by measuring relative Euclidean distances in the five-dimensional chemical map, and more than 100 nearest neighbors (kNNs) were found within a relative distance of less than 10% from each drug anchor. The developed chemical similarity approach not only identified persistent or semipersistent drugs but also a large number of potentially persistent drugs lacking environmental fate data.

  • 7.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Maran, Uko
    Fara, Dan
    Karelson, Mati
    Hermens, Joop L M
    General and Class Specific Models for Prediction of Soil Sorption Using Various Physicochemical Descriptors2002In: Journal of Chemical Information and Modeling, Vol. 42, no 6, p. 1450-9Article in journal (Refereed)
    Abstract [en]

    Diverse chemical descriptors were explored for use in QSAR models aimed to screen the soil sorption potential of organic compounds. The descriptors included logP, HyperChem QSARProperties descriptors, a combination of connectivity indices, geometrical, and quantum chemical measures, and two sets from the DRAGON and CODESSA program packages, respectively. Generally, the univariate logP models were capable of capturing most of the variation and give an indication of the sorption potential. The multivariate models required refined variable selection procedures but were shown to include crucial descriptors for modeling compound classes with specific chemical characteristics.

  • 8.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Stenberg, Maria
    Umeå University, Faculty of Science and Technology, Chemistry.
    Mariussen, E
    Fonnum, F
    Structure-Activity Relationships of PCBS Potency as neurotoxicants2006In: Organohalogen Compounds, Vol. 68, p. 117-20Article in journal (Refereed)
  • 9.
    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)
  • 10.
    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.

  • 11.
    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.

  • 12.
    Andersson, Patrik
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Öberg, Kjell
    Örn, U
    Chemical characterization of brominated flame retardants and identification2006In: Environmental Toxicology and Chemistry, ISSN 0730-7268, Vol. 25, no 5, p. 1275-82Article in journal (Refereed)
    Abstract [en]

    Three training sets were selected, each consisting of 10 structurally diverse compounds representative of brominated flame retardants (BFRs) that are either in use or have been used. Just three compounds account for nearly all the total production volume of BFRs. In the present study, however, the physicochemical characteristics of a far more structurally diverse set of 65 BFRs was explored using 15 molecular descriptors (including log P, constitutional counts, and semiempirical quantum mechanical parameters) and principal component analysis (PCA). The PCA generated an overview of the structural variation among BFRs, and certain compounds with unique physicochemical properties and specific clusters of compounds with distinct properties were identified. The training-set compounds were selected by applying the condensed information obtained from the PCA and statistical experimental design. The three training sets, which were designated as optimal, practical, and alternative, were selected either to maximize the structural variation (optimal) or to combine structural variation with practical advantages, such as ease of experimental handling and commercial availability (practical and alternative). Inclusion of the suggested compounds in assessments of the persistence, bioaccumulation, and toxicity properties of BFRs and related programs should help to increase our understanding of the effects and environmental fate of these compounds.

  • 13.
    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)
  • 14.
    Arnoldsson, Kristina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Formation of environmentally relevant brominated dioxins from 2,4,6-tribromophenol via bromoperoxidase-catalyzed dimerisationManuscript (preprint) (Other academic)
    Abstract [en]

    Polybrominated dibenzo-p-dioxins (PBDD) are emerging environmental pollutants with structural similarities to the highly characterized toxicants polychlorinated dibenzo-p-dioxins. The geographical and temporal variations of PBDD in biota samples from the Baltic Sea do not display features that are normally related to anthropogenic sources, and therefore the natural formation of PBDDs has been suggested. This study of the bromoperoxidase mediated oxidative coupling of 2,4,6-tribromophenol (an abundant substance that is naturally formed in marine systems) identified the formation of ppb-level yields of 1,3,6,8-tetrabromodibenzo-p-dioxin (1,3,6,8-TeBDD) through direct condensation. Additional TeBDDs (1,3,7,9-TeBDD, 1,2,4,7-TeBDD and/or 1,2,4,8-TeBDD) and tri-BDDs (1,3,7-TrBDD and 1,3,8-TrBDD) were frequently formed, but at lower yields. The formation of these TeBDDs probably proceeds via bromine shifts or Smiles rearrangements, while the TrBDDs may result from subsequent debromination processes. Since all of the congeners formed by oxidative coupling and subsequent reactions are also found in Baltic Sea biota, the results support the theory that PBDDs are formed from natural precursors.

  • 15.
    Arnoldsson, Kristina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik L
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Formation of environmentally relevant brominated dioxins from 2,4,6,-tribromophenol via bromoperoxidase-catalyzed dimerization2012In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 46, no 13, p. 7239-7244Article in journal (Refereed)
    Abstract [en]

    Polybrominated dibenzo-p-dioxins (PBDD) are emerging environmental pollutants with structural similarities to the highly characterized toxicants polychlorinated dibenzo-p-dioxins. The geographical and temporal variations of PBDD in biota samples from the Baltic Sea do not display features that are normally related to anthropogenic sources such as incineration, and therefore the natural formation of PBDDs has been suggested. This study of the bromoperoxidase mediated oxidative coupling of 2,4,6-tribromophenol (an abundant substance that is naturally formed in marine systems) identified the formation of ppb-level yields of 1,3,6,8-tetrabromodibenzo-p-dioxin (1,3,6,8-TeBDD) through direct condensation. Additional TeBDDs (1,3,7,9-TeBDD, 1,2,4,7-TeBDD and/or 1,2,4,8-TeBDD) and tri-BDDs (1,3,7-TrBDD and 1,3,8-TrBDD) were frequently formed, but at lower yields. The formation of these TeBDDs probably proceeds via bromine shifts or Smiles rearrangements, while the TrBDDs may result from subsequent debromination processes. Since all of the congeners formed by oxidative coupling and subsequent reactions are also found in Baltic Sea biota, the results support the theory that PBDDs are formed from natural precursors.

  • 16.
    Arnoldsson, Kristina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik L
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Photochemical formation of polybrominated dibenzo-p-dioxins from environmentally abundant hydroxylated polybrominated diphenyl ethers2012In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 46, no 14, p. 7567-7574Article in journal (Refereed)
    Abstract [en]

    High levels of polybrominated dibenzo-p-dioxins (PBDDs) have been found in Baltic Sea biota, where the toxic load owing to, for example, polychlorinated dibenzo-p-dioxins and other organic pollutants is already high. The levels and geographic pattern of PBDDs suggest biogenic rather than anthropogenic origin, and both biotic and abiotic formation pathways have been proposed. Photochemical formation from hydroxylated polybrominated diphenyl ethers (OH-PBDE) is a proposed pathway. for PBDDs in marine environments. Ultraviolet radiation-initiated transformations of OH-BDEs 47, 68, 85, 90, 99, and 123, which all are abundant in the environment, were investigated. It was shown that the most abundant PBDDs in the environment (1,3,7-triBDD and 1,3,8-triBDD) can be formed from the most abundant OH-BDEs (OH-BDE 47 and OH-BDE 68) at high rates and with percentage yields. In fact, most of the PBDDs that have been identified in the Baltic Sea environment were formed with high yield from the six studied OH-PBDE, through initial cyclization and subsequent debromination reactions. The high formation yields point to this route as an important source of PBDDs in biota. However, congeners showing relatively high retention in fish, specifically 1,3,6,8- and 1,3,7,9-tetraBDD, were not formed. These are likely formed by enzymatic coupling of brominated phenols.

  • 17. Arp, Hans Peter H.
    et al.
    Morin, Nicolas A. O.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Hale, Sarah E.
    Wania, Frank
    Breivik, Knut
    Breedveld, Gijs D.
    The presence, emission and partitioning behavior of polychlorinated biphenyls in waste, leachate and aerosols from Norwegian waste-handling facilities2020In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 715, p. 1-12, article id 136824Article in journal (Refereed)
    Abstract [en]

    Even though production and open use of polychlorinated biphenyls (PCBs) have been phased out in Western industrialised countries since the 1980s, PCBs were still present in waste collected from different waste handling facilities in Norway in 2013. Sums of seven indicator-PCBs (I-PCB7:PCB-28, -52, -101, -118, -138, -153 and -180) were highest in plastic waste (3700 +/- 1800 mu g/kg, n=15), waste electrical and electronic equipment (WEEE) (1300 +/- 400 mu g/kg, n=12) and fine vehicle fluff (1800 = 1400 mu g/kg, n=4) and lowest in glass waste, combustibles, bottom ash and fly ash (0.3 to 65 mu g/kg). Concentrations in leachate water varied from 1.7 to 2900 ng/L, with higher concentrations found at vehicle and WEEE handling facilities. Particles in leachate water exhibited similar PCB sorption properties as solid waste collected on site, with waste-water partitioning coefficients ranging from 10(5)to 10(7) .I-PCB7 in air samples collected at the sites were mostly in the gas phase (100-24000 pg/m(3)), compared to those associated with particles (9-1900 pg/m(3)). In contrast, brominated flame retardants (BFRs) in the same samples were predominantly found associated with particles (e.g. sum of 10 brominated diethyl ethers, Sigma BDE10, associated with particles 77-194,000 pg/m(3)) compared to the gas phase (Sigma DE10 6-473 pg/m(3)). Measured gas-phase I-PCB7 concentrations are less than predicted, assuming waste-air partitioning in equilibrium with predominant waste on site. However, the gas-particle partitioning behavior of PCBs and BFRs could be predicted using an established partitioning model for ambient aerosols. PCB emissions from Norwegian waste handling facilities occurred primarily in the form of atmospheric vapor or leachate particles.

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  • 18. Arp, Hans Peter H
    et al.
    Møskeland, Thomas
    Andersson, Patrik L
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Nyholm, Jenny Rattfelt
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Presence and partitioning properties of the flame retardants pentabromotoluene, pentabromoethylbenzene and hexabromobenzene near suspected source zones in Norway2011In: Journal of Environmental Monitoring, ISSN 1464-0325, E-ISSN 1464-0333, Vol. 13, no 3, p. 505-513Article in journal (Refereed)
    Abstract [en]

    The brominated flame retardants (BFRs), pentabromotoluene (PBT), pentabromoethylbenzene (PBEB) and hexabromobenzene (HBB), exhibit physical-chemical properties similar to other persistent organic pollutants, and have been in use as flame retardants for several decades. Data on these BFRs in diverse environmental samples can be found in studies from the 1970s and 1980s, as well as in recent years, though very little in the years in between. Due to a lack of data, the cause for the apparent re-emergence of these BFRs in recent studies is unclear, and could reflect changes in production volumes, accumulation of transformation products from BFR precursors, improved analytical techniques or simply a re-emergence in concern. Very little data are available on their environmentally relevant partitioning properties, which could help to explain the occurrence and fate of these BFRs. In this study we analysed for the presence of HBB, PBT, and PBEB in diverse environmental samples from potential Norwegian BFR source zones. Additionally, environmental partitioning properties of these BFRs as well as brominated benzenes were estimated and validated using experimental data for brominated benzenes. Of the three BFRs, HBB was identified in detectable quantities at most source zones, PBEB only near a metal recycling factory, and PBT only in a few additional locations from where PBEB was detected. Data from this study show that HBB is likely widely distributed, as verified both by chemical analysis and estimated properties. Measured HBB levels in wastewater treatment plants indicate that the treatment practices used in the study locations are not effective at lowering HBB levels, perhaps due to association with low density suspended solids (e.g. microplastics).

  • 19.
    Augulyte, Lijana
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Kliaugaite, D.
    Racys, V.
    Jankunaite, D.
    Zaliauskiene, A.
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bergqvist, Per-Anders
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Chemical and Ecotoxicological Assessment of Selected Biologically Activated Sorbents for Treating Wastewater Polluted with Petroleum Products with Special Emphasis on Polycyclic Aromatic Hydrocarbons2008In: Water, Air and Soil Pollution, ISSN 0049-6979, E-ISSN 1573-2932, Vol. 195, no 1-4, p. 243-256Article in journal (Refereed)
    Abstract [en]

    A chemical and ecotoxicological assessment of treatment of wastewater that had been polluted with petroleum products using only Activated Sludge (AS) and four biologically activated sorbents (BASs), consisting of activated sludge plus: coal-based activated carbon (-C1), coconut shell-based activated carbon (-C2), zeolite (-Z), and anthracite (-A) were conducted. The efficiency and robustness of the four wastewater treatment systems were evaluated by calculating the reduced total petroleum hydrocarbon (TPH) and polycyclic aromatic hydrocarbon (PAH) contents and the acute ecotoxicity of the effluents. The chemical analysis showed that the combined treatment systems were very effective for reducing the total petroleum hydrocarbon and readily bioavailable PAH contents. The most efficient systems were the BAS-C1 and -C2, which removed 60–88% and 99.5–99.6% of TPH and PAH, respectively. The activated sludge-only treatment was the least effective for purifying the wastewater. Chemical oxygen demand was reduced by >90% by all carbon-based BASs (BAS-C1, BAS-C2 and BAS-A). Shifts in the relative composition of the individual PAHs were identified in samples taken before and after treatment. Algal and bacterial bioassays showed that the toxicities of effluents following treatment by all four systems (except AS for algae) were reduced by more than 80% and 90%, respectively. However, crustacean tests indicated that the carbon-based BASs reduced the toxicity [V tox(50)] only by 19–67%. Our results indicated that the combination of sorption and biodegradation processes have great potential in the treatment of petroleum products polluted wastewater and is less sensitive for inhibitors of the biological process than treatments in which activated sludge alone is used. The assessment of chemical and ecotoxicological endpoints provided valuable information, but contrasting results for one of the assays indicates that further analysis on the capacity of the different treatment systems is warranted.

  • 20.
    Augulyte, Lijana
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Kliaugaite, Daina
    Racys, Viktoras
    Jankunaite, Dalia
    Zaliauskiene, Audrone
    Bergqvist, Per-Anders
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik L
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Multivariate analysis of a biologically activated carbon (BAC) system and its efficiency for removing PAHs and aliphatic hydrocarbons from wastewater polluted with petroleum products2009In: Journal of Hazardous Materials, ISSN 0304-3894, E-ISSN 1873-3336, Vol. 170, no 1, p. 103-110Article in journal (Refereed)
    Abstract [en]

    The efficiency of a biologically activated carbon system for treating wastewater polluted with petroleum products was examined and the effects of process parameters on its efficacy were evaluated. In each experiment 17 alkylated and 19 non-alkylated polycyclic aromatic hydrocarbons (PAHs) and total petroleum hydrocarbons (TPHs, C10-C40) were extracted using semipermeable membrane devices from wastewater before and after treatment. The acquired data during experiments were analyzed using principal component analysis (PCA). The treatment system robustly removed dissolved PAHs across the studied ranges of the process parameters, providing overall removal efficiencies of 96.9-99.7% for the sum of 36 PAHs. However, the major contributor to their removal was sorption rather than biodegradation, and despite the general efficiency of the process there was up to a 9-fold range in the sums of quantified PAHs in the effluents between experiments. Combinations of long process contact time (24 h) with high temperature (24 degrees C) and moderate oxygen concentration (6-7mg O2 L-1) resulted in good removal of bioavailable PAHs. The removal of TPHs was more dependent on biological activities during the wastewater treatment, and consequently more dependent on the process parameters. In addition, small but significant proportions of PAHs were volatilized and released during the wastewater treatment.

  • 21.
    Augulyte, Lijana
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lindberg, Richard H
    Andersson, Patrik L
    Umeå University, Faculty of Science and Technology, Chemistry.
    Söderström, Hanna
    Laboratory evaluation of the temperature effect on the uptake of selected pharmaceuticals by the polar organic chemical integrative sampler (POCIS)Manuscript (Other academic)
  • 22.
    Bereketoglu, Ceyhun
    et al.
    Biology, The Life Science Center, School of Science and Technology, Örebro University, Örebro, Sweden.
    Modig, Carina
    Biology, The Life Science Center, School of Science and Technology, Örebro University, Örebro, Sweden.
    Pradhan, Ajay
    Biology, The Life Science Center, School of Science and Technology, Örebro University, Örebro, Sweden.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Stasinopoulou, Sotiria
    Molecular Endocrinology Program, Institute of Chemical Biology, National Hellenic Research Foundation, Athens, Greece.
    Mitsiou, Dimitra J.
    Molecular Endocrinology Program, Institute of Chemical Biology, National Hellenic Research Foundation, Athens, Greece.
    Alexis, Michael N.
    Molecular Endocrinology Program, Institute of Chemical Biology, National Hellenic Research Foundation, Athens, Greece.
    Olsson, Per-Erik
    Biology, The Life Science Center, School of Science and Technology, Örebro University, Örebro, Sweden.
    The brominated flame retardants TBECH and DPTE alter prostate growth, histology and gene expression patterns in the mouse2021In: Reproductive Toxicology, ISSN 0890-6238, E-ISSN 1873-1708, Vol. 102, p. 43-55Article in journal (Refereed)
    Abstract [en]

    The brominated flame retardants (BFRs), 1,2-dibromo-4-(1,2 dibromoethyl)cyclohexane (TBECH) and 2,3-dibromopropyl-2,4,6-tribromophenyl ether (DPTE) bind to the androgen receptor (AR). in vitro bioassays have shown that TBECH is a potent androgen agonist while DPTE is a potent AR antagonist. Both TBECH and DPTE alter gene expression associated with AR regulation. However, it remains to be determined if TBECH and DPTE can affect the prostate. For this reason, we exposed CD1 mice to a 1:1 mixture of TBECH diastereomers α and β, a 1:1 mixture of γ and δ, and to DPTE, and tested their effects on prostate growth, histology and gene expression profiles. Castrated mice were used to study the androgenic effects of TBECHαβ and TBECHγδ while the antagonistic effects of DPTE were studied in non-castrated mice. We observed that testosterone and TBECHγδ increased body and prostate weights while TBECHαβ affected neither of them; and that DPTE had no effect on body weight but reduced prostate weight drastically. Histomorphometric analysis of the prostate revealed epithelial and glandular alterations in the TBECHγδ group comparable to those in testosterone group while alterations in the TBECHαβ group were less pronounced. DPTE displayed androgen antagonist activity reminiscent of castration. The transcription profile of the prostate was altered by castration and exposure to testosterone and to TBECHγδ reversed several of these changes. Testosterone and TBECHγδ also regulated the expression of several androgen responsive genes implicated in prostate growth and cancer. While DPTE resulted in a drastic reduction in prostate weight, it only affected a small number of genes. The results indicate that TBECHγδ and DPTE are of high human health concern as they may contribute to changes in prostate growth, histology and function.

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  • 23.
    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)
  • 24.
    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.

  • 25.
    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

  • 26.
    Blum, Kristin M.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ahrens, Lutz
    Wiberg, Karin
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Persistence, mobility and bioavailability of emerging organic contaminants discharged from sewage treatment plants2018In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 612, p. 1532-1542Article in journal (Refereed)
    Abstract [en]

    Little is known about the impact of emissions of micropollutants from small and large-scale sewage treatment plants (STPs) on drinking water source areas. We investigated a populated catchment that drains into Lake Malaren, which is the drinking water source for around 2 million people including the inhabitants of Stockholm, Sweden. To assess the persistence, mobility, bioavailability and bioaccumulation of 32 structurally diverse emerging organic contaminants, sediment, integrated passive and grab water samples were collected along the catchment of the River Fyris, Sweden. The samples were complemented with STP effluent and fish samples from one sampling event. Contaminants identified as persistent, mobile, and bioavailable were 4,6,6,7,8,8-hexamethyl-1,3,4,7-tetrahydrocyclopenta[g] isochromene (galaxolide), 2,4,7,9-tetramethyl-5-decyn-4,7-diol, tris(2-chloroethyl) phosphate, tris(1,3-dichloro-2-propyl) phosphate, and tris(1-chloro-2-propyl) phosphate. Galaxolide and 2,4,7,9-tetramethyl-5-decyn-4,7-diol were additionally found to be bioaccumulative, whereas n-butylbenzenesulfonamide was found to be only persistent and mobile. The total median mass flux of the persistent and mobile target analytes from Lake Ekoln into the drinking water source area of Lake Malaren was estimated to be 27 kg per year. Additionally, 10 contaminants were tentatively identified by non-target screening using NIST library searches and manual review. Two of those were confirmed by reference standards and further two contaminants, propylene glycol and rose acetate, were discharged from STPs and travelled far from the source. Attenuation of mass fluxes was highest in the summer and autumn seasons, suggesting the importance of biological degradation and photodegradation for the persistence of the studied compounds.

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  • 27.
    Blum, Kristin M.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Renman, Gunno
    Ahrens, Lutz
    Gros, Meritxell
    Wiberg, Karin
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Non-target screening and prioritization of potentially persistent, bioaccumulating and toxic domestic wastewater contaminants and their removal in on-site and large-scale sewage treatment plants2017In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 575, p. 265-275Article in journal (Refereed)
    Abstract [en]

    On-site sewage treatment facilities (OSSFs), which are used to reduce nutrient emissions in rural areas, were screened for anthropogenic compounds with two-dimensional gas chromatography–mass spectrometry (GC × GC–MS). The detected compounds were prioritized based on their persistence, bioaccumulation, ecotoxicity, removal efficiency, and concentrations. This comprehensive prioritization strategy, which was used for the first time on OSSF samples, ranked galaxolide, α-tocopheryl acetate, octocrylene, 2,4,7,9-tetramethyl-5-decyn-4,7-diol, several chlorinated organophosphorus flame retardants and linear alkyl benzenes as the most relevant compounds being emitted from OSSFs. Twenty-six target analytes were then selected for further removal efficiency analysis, including compounds from the priority list along with substances from the same chemical classes, and a few reference compounds. We found significantly better removal of two polar contaminants 2,4,7,9-tetramethyl-5-decyn-4,7-diol (p = 0.0003) and tris(2-butoxyethyl) phosphate (p = 0.005) in soil beds, a common type of OSSF in Sweden, compared with conventional sewage treatment plants. We also report median removal efficiencies in OSSFs for compounds not studied in this context before, viz. α-tocopheryl acetate (96%), benzophenone (83%), 2-(methylthio)benzothiazole (64%), 2,4,7,9-tetramethyl-5-decyn-4,7-diol (33%), and a range of organophosphorus flame retardants (19% to 98%). The environmental load of the top prioritized compounds in soil bed effluents were in the thousands of nanogram per liter range, viz. 2,4,7,9-tetramethyl-5-decyn-4,7-diol (3000 ng L− 1), galaxolide (1400 ng L− 1), octocrylene (1200 ng L− 1), and α-tocopheryl acetate (660 ng L− 1).

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  • 28.
    Blum, Kristin M.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Umeå University.
    Gallampois, Christine
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Renman, G.
    Renman, A.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds2019In: Journal of Hazardous Materials, ISSN 0304-3894, E-ISSN 1873-3336, Vol. 361, p. 111-122Article in journal (Other academic)
    Abstract [en]

    The removal of organic contaminants from wastewater using cost-efficient and easily accessible methods have been increasingly studied in recent years. Most studies have focused on municipal sewage treatment plants; however, our study investigated treatment with char-fortified filter beds for on-site sewage treatment facilities (OSSFs). OSSFs are commonly used in rural and semi-urban areas all over the world to treat wastewater to reduce eutrophication and water-related diseases. To screen for a wide range of organic contaminants in order to improve the understanding of wastewater treatment efficiency and molecular properties, samples were taken from an OSSF field study site that used three filter types: sand, char-fortified sand, and char-fortified gas concrete. First, we screened for organic contaminants with state-of-the-art gas chromatography and liquid chromatography mass spectrometry-based targeted and untargeted analysis and then we developed quantitative structure-property relationship models to find the key molecular features responsible for the removal of organic contaminants. We identified 74 compounds, of which 24 were confirmed with reference standards. Amongst these 74 compounds were plasticizers, UV stabilizers, fragrances, pesticides, surfactant and polymer impurities, pharmaceuticals and their metabolites, and many biogenic compounds. Sand filters that are sometimes used as a last treatment step in OSSFs can remove hydrophobic contaminants. The addition of biochar significantly increases the removal of these and a few hydrophilic compounds (Wilcoxon signed-rank test, α = 0.05). Gas concrete did not appear to be suitable for the removal of organic contaminants. This study showed that, besides hydrophobic effects, biodegradation is the most important removal pathway in long-term field applications. However, further improvements are necessary to remove very hydrophilic contaminants as they were not removed with sand and biochar-fortified sand.

  • 29.
    Blum, Kristin M.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Umeå University.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Gao, Qiuju
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ahrens, L.
    Gros, M.
    Wiberg, K.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mass fluxes per capita of organic contaminants from on-site sewage treatment facilities2018In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, no 201, p. 864-873Article in journal (Other academic)
    Abstract [en]

    This study is the first attempt to quantify environmental fluxes per capita of organic contaminants discharged from on-site sewage treatment facilities (OSSFs) in affected recipients. Five sites were monitored around the River Fyris in Sweden: three mainly affected by OSSFs and two mainly affected by municipal sewage treatment plants (STPs). Gas chromatography-mass spectrometry was used to determine environmental concentrations of 30 anthropogenic contaminants, including organophosphorus compounds, rubber and plastic additives, UV stabilizers, fragrances, surfactant ingredients and polycyclic aromatic hydrocarbons. Uni- and multivariate statistical analysis of the most frequently detected contaminants showed that median fluxes per capita of tris(1,3-dichloro-2-propyl) phosphate, tris(1-chloro-2-propyl) phosphate, tris(2-chloroethyl) phosphate, and n-butylbenzene sulfonamide were similar at OSSF and STP sites, but the mass fluxes per capita of tris-(2-butoxyethyl) phosphate, 2-(methylthio)benzothiazole, and galaxolide, were significantly lower (~2 to 3-fold) at OSSF sites than at STP sites (Mann-Whitney, α = 0.05). Differences between these sites were larger in samples collected in summer and autumn than in samples collected in winter. Deviations likely originated from differences in treatment technology and distances between source and sampling sites. Further studies are needed to characterize mass fluxes per capita of contaminants in waters that directly receive discharges from OSSFs.

  • 30.
    Bottone, Anna
    et al.
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences. Department of Ecology and Genetics, Uppsala University, Uppsala, Sweden.
    Boily, Jean-Francois
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Shchukarev, Andrey
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Klaminder, Jonatan
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Sodium hypochlorite as an oxidizing agent for removal of soil organic matter before microplastics analyses2021In: Journal of Environmental Quality, ISSN 0047-2425, E-ISSN 1537-2537, Vol. 51, no 1, p. 112-122Article in journal (Refereed)
    Abstract [en]

    The omnipresence of microplastics (MPs) across Earth's surface has raised concerns about their environmental impact and created an urgent need for methods to identify them in complex soil and sedimentary matrices. However, detecting MPs in the O horizons of soils is difficult because plastic polymers share many physical and chemical properties with natural soil organic matter (SOM). In this study, we assessed whether sodium hypochlorite (NaOCl), a reagent that can oxidize SOM and simultaneously preserve mineral constituents, can be used for MP analysis and characterization in soil environments. In addition, we scrutinized how factors such as MP size, polymer type, extraction methods, and soil matrix affect the recovery of microplastic particles. We used both hydrophobic and density-dependent separation methods to assess the effects of our oxidation treatment on the recovery of MP. We observed that NaOCl effectively removed SOM without greatly altering the surface properties of resistant MP polymers (polypropylene, polylactic acid, low-density polyethylene, and polyethylene terephthalate), which were characterized using scanning electron microscopy and Fourier-transform infrared spectroscopy after SOM removal. The NaOCl treatment caused some chlorination and formation of additional C–OH bonds on polymer surfaces, which likely contributed to the reduced efficiency of the hydrophobic-based (oil) extraction. We conclude that NaOCl treatment can improve detection of MPs in SOM-rich soil and that recovery of MPs from soils is influenced by MP size, polymer type, extraction method, and soil type, which makes it challenging to develop a universal analytical method.

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  • 31. Breitholtz, Magnus
    et al.
    Nyholm Rattfelt, Jenny
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Karlsson, Jenny
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Are individual NOEC levels safe for mixtures? A study on mixture toxicity of brominated flame-retardants in the copepod Nitocra spinipes2008In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 72, no 9, p. 1242-1249Article in journal (Refereed)
    Abstract [en]

    In aquatic ecosystems organisms are exposed to mixtures of pollutants. Still, risk assessment focuses almost exclusively on effect characterization of individual substances. The main objective of the current study was therefore to study mixture toxicity of a common group of industrial substances, i.e., brominated flame–retardants (BFRs), in the harpacticoid copepod Nitocra spinipes. Initially, 10 BFRs with high hydrophobicity but otherwise varying chemical characteristics were selected based on multivariate chemical characterization and tested individually for effects on mortality and development using a partial life cycle test (six days) where silica gel is used as a carrier of the hydrophobic substances. Based on these findings, six of the 10 BFRs were mixed in a series of NOEC proportions (which were set to 0.008, 0.04, 0.2, 1, and five times the NOEC concentrations for each individual BFR), loaded on silica gel and tested in a full life cycle test (26 days). Significantly increased mortality was observed in N. spinipes after six and 26 days exposure at a NOEC proportion that equals the NOECLDR value (×1) for each BFR in the mixture (p = 0.0015 and p = 0.0105, respectively). At the NOEC × 5 proportion all animals were dead. None of the other NOEC proportions caused significant negative responses related to development and reproduction. This shows that low concentrations of individual substances can cause toxicity if exposed in mixtures, which highlights the need to consider mixture toxicity to a greater extent in regulatory work.

  • 32.
    Brenerová, Petra
    et al.
    Department of Chemistry and Toxicology, Veterinary Research Institute.
    Hamers, Timo
    Institute for Environmental Studies, VU University Amsterdam.
    Kamstra, Jorke H.
    Institute for Environmental Studies, VU University Amsterdam.
    Vondracek, Jan
    Department of Cytokinetics, Institute of Biophysics, Academy of Sciences of the Czech Republic.
    Strapacova, Simona
    Department of Chemistry and Toxicology, Veterinary Research Institute.
    Andersson, Patrik
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Machala, Miroslav
    Department of Chemistry and Toxicology, Veterinary Research Institute.
    Pure non-dioxin-like PCB congeners suppress induction of AhR-dependent endpoints in rat liver cells2016In: Environmental Science and Pollution Research, ISSN 0944-1344, E-ISSN 1614-7499, Vol. 23, no 3, p. 2099-2107Article in journal (Refereed)
    Abstract [en]

    The relative potencies of non-ortho-substituted coplanar polychlorinated biphenyl (PCB) congeners to activate the aryl hydrocarbon receptor (AhR) and to cause the AhR-dependent toxic events are essential for their risk assessment. Since some studies suggested that abundant non-dioxin-like PCB congeners (NDL-PCBs) may alter the AhR activation by PCB mixtures and possibly cause non-additive effects, we evaluated potential suppressive effects of NDL-PCBs on AhR activation, using a series of 24 highly purified NDL-PCBs. We investigated their impact on the model AhR agonist-induced luciferase reporter gene expression in rat hepatoma cells and on induction of CYP1A1/1B1 mRNAs and deregulation of AhR-dependent cell proliferation in rat liver epithelial cells. PCBs 128, 138, and 170 significantly suppressed AhR activation (with IC50 values from 1.4 to 5.6 mu M), followed by PCBs 28, 47, 52, and 180; additionally, PCBs 122, 153, and 168 showed low but still significant potency to reduce luciferase activity. Detection of CYP1A1 mRNA levels in liver epithelial cells largely confirmed these results for the most abundant NDL-PCBs, whereas the other AhR-dependent events (CYP1B1 mRNA expression, induction of cell proliferation in confluent cells) were less sensitive to NDL-PCBs, thus indicating a more complex regulation of these endpoints. The present data suggest that some NDL-PCBs could modulate overall dioxin-like effects in complex mixtures.

  • 33. Cao, Lin-Ying
    et al.
    Zheng, Ziye
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ren, Xiao-Min
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Guo, Liang-Hong
    Structure-dependent activity of polybrominated diphenyl ethers and their hydroxylated metabolites on estrogen related receptor gamma: in vitro and in silico study2018In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 52, no 15, p. 8894-8902Article in journal (Refereed)
    Abstract [en]

    Estrogen-related receptor gamma (ERR gamma) is an orphan nuclear receptor having functional cross-talk with classical estrogen receptors. Here, we investigated whether ERR gamma is a potential target 8 of polybrominated diphenyl ethers (PBDEs) and their hydroxylated metabolites (OH-PBDEs). By using a fluorescence competitive binding method established in our laboratory, the binding potencies of 30 PBDEs/OH-PBDEs with ERR gamma were determined for the first time. All of the tested OH-PBDEs and some PBDEs bound to ERR gamma with K-d values ranging from 0.13-13.61 mu M. The OH-PBDEs showed much higher binding potency than their parent PBDEs. A quantitative structure-activity relationship (QSAR) model was developed to analyze the chemical binding potencies in relation to their structural and chemical characteristics. The QSAR model indicated that the molecular size, relative ratios of aromatic atoms, and hydrogen bond donors and acceptors were crucial factors for PBDEs/OH-PBDEs binding. By using a reporter gene assay, we found that most of the low-brominated PBDEs/OH-PBDEs exerted agonistic activity toward ERR gamma, while high-brominated PBDEs/OH-PBDEs had no effect on the basal ERR gamma activity. The docking results showed that the low-brominated PBDEs/OH-PBDEs tended to take an agonistic binding mode while the high-brominated ones tended to take an antagonistic binding mode. Overall, our results suggest ERR gamma to be a potential novel target for PBDEs/OH-PBDEs.

  • 34.
    Chelcea, Ioana C.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Vogs, Carolina
    Department of Biomedical Sciences and Veterinary Public Health, Swedish University of Agricultural Sciences, Uppsala, Sweden; Institute of Environmental Medicine, Karolinska Institutet, Stockholm, Sweden.
    Hamers, Timo
    Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands.
    Koekkoek, Jacco
    Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands.
    Legradi, Jessica
    Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, Amsterdam, The Netherlands.
    Sapounidou, Maria
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Örn, Stefan
    Department of Biomedical Sciences and Veterinary Public Health, Swedish University of Agricultural Sciences, Uppsala, Sweden.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Physiology-informed toxicokinetic model for the zebrafish embryo test: a case study of bisphenolsManuscript (preprint) (Other academic)
  • 35.
    Chelcea, Ioana C.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Vogs, Carolina
    Department of Biomedical Sciences and Veterinary Public Health, Swedish University of Agricultural Sciences, Box 7028, Uppsala, Sweden; Institute of Environmental Medicine, Karolinska Institutet, Solna, Sweden.
    Hamers, Timo
    Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, HV Amsterdam, Netherlands.
    Koekkoek, Jacco
    Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, HV Amsterdam, Netherlands.
    Legradi, Jessica
    Amsterdam Institute for Life and Environment (A-LIFE), Vrije Universiteit Amsterdam, HV Amsterdam, Netherlands.
    Sapounidou, Maria
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Örn, Stefan
    Department of Biomedical Sciences and Veterinary Public Health, Swedish University of Agricultural Sciences, Box 7028, Uppsala, Sweden.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Physiology-informed toxicokinetic model for the zebrafish embryo test developed for bisphenols2023In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 345, article id 140399Article in journal (Refereed)
    Abstract [en]

    Zebrafish embryos (ZFE) is a widely used model organism, employed in various research fields including toxicology to assess e.g., developmental toxicity and endocrine disruption. Variation in effects between chemicals are difficult to compare using nominal dose as toxicokinetic properties may vary. Toxicokinetic (TK) modeling is a means to estimate internal exposure concentration or dose at target and to enable extrapolation between experimental conditions and species, thereby improving hazard assessment of potential pollutants. In this study we advance currently existing TK models for ZFE with physiological ZFE parameters and novel experimental bisphenol data, a class of chemicals with suspected endocrine activity. We developed a five-compartment model consisting of water, plastic, chorion, yolk sack and embryo in which surface area and volume changes as well as the processes of biotransformation and blood circulation influence mass fluxes. For model training and validation, we measured internal concentrations in ZFE exposed individually to BPA, bisphenol AF (BPAF) and Z (BPZ). Bayesian inference was applied for parameter calibration based on the training data set of BPZ. The calibrated TK model predicted internal ZFE concentrations of the majority of external test data within a 5-fold error and half of the data within a 2-fold error for bisphenols A, AF, F, and tetrabromo bisphenol A (TBBPA). We used the developed model to rank the hazard of seven bisphenols based on predicted internal concentrations and measured in vitro estrogenicity. This ranking indicated a higher hazard for BPAF, BPZ, bisphenol B and C (BPB, BPC) than for BPA.

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  • 36.
    Chelcea, Ioana C.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Örn, Stefan
    Department of Biomedical Sciences and Veterinary Public Health, Swedish University of Agricultural Sciences, Uppsala, Box 7028, Sweden.
    Hamers, Timo
    Department of Environment & Health, Vrije Universiteit Amsterdam, HV Amsterdam, Netherlands.
    Koekkoek, Jacco
    Department of Environment & Health, Vrije Universiteit Amsterdam, HV Amsterdam, Netherlands.
    Legradi, Jessica
    Department of Environment & Health, Vrije Universiteit Amsterdam, HV Amsterdam, Netherlands.
    Vogs, Carolina
    Department of Biomedical Sciences and Veterinary Public Health, Swedish University of Agricultural Sciences, Uppsala, Box 7028, Sweden; Institute of Environmental Medicine, Karolinska Institutet, Solna, Sweden.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Physiologically Based Toxicokinetic Modeling of Bisphenols in Zebrafish (Danio rerio) Accounting for Variations in Metabolic Rates, Brain Distribution, and Liver Accumulation2022In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 56, no 14, p. 10216-10228Article in journal (Refereed)
    Abstract [en]

    Bisphenol A (BPA) is an industrial chemical, which has raised human health and environmental concerns due to its endocrine-disrupting properties. BPA analogues are less well-studied despite their wide use in consumer products. These analogues have been detected in water and aquatic organisms around the world, with some analogues showing toxic effects in various species including fish. Here, we present novel organ-specific time-course distribution data of bisphenol Z (BPZ) in female zebrafish (Danio rerio), including concentrations in the ovaries, liver, and brain, a rarely sampled organ with high toxicological relevance. Furthermore, fish-specific in vitro biotransformation rates were determined for 11 selected bisphenols. A physiologically based toxicokinetic (PBTK) model was adapted for four of these bisphenols, which was able to predict levels in the gonads, liver, and brain as well as the whole body within a 2-5-fold error with respect to experimental data, covering several important target organs of toxicity. In particular, predicted liver concentrations improved compared to currently available PBTK models. Predicted data indicate that studied bisphenols mainly distribute to the carcass and gonads and less to the brain. Our model provides a tool to increase our understanding on the distribution and kinetics of a group of emerging pollutants.

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  • 37.
    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.

  • 38.
    Dracheva, Elena
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Norinder, Ulf
    Department of Computer and Systems Sciences, Stockholm University, Kista, Sweden.
    Rydén, Patrik
    Umeå University, Faculty of Science and Technology, Department of Mathematics and Mathematical Statistics.
    Engelhardt, Josefin
    Department of Environmental Science, Stockholm University, Stockholm, Sweden.
    Weiss, Jana M.
    Department of Environmental Science, Stockholm University, Stockholm, Sweden.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    In Silico Identification of Potential Thyroid Hormone System Disruptors among Chemicals in Human Serum and Chemicals with a High Exposure Index2022In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 56, no 12, p. 8363-8372Article in journal (Refereed)
    Abstract [en]

    Data on toxic effects are at large missing the prevailing understanding of the risks of industrial chemicals. Thyroid hormone (TH) system disruption includes interferences of the life cycle of the thyroid hormones and may occur in various organs. In the current study, high-throughput screening data available for 14 putative molecular initiating events of adverse outcome pathways, related to disruption of the TH system, were used to develop 19 in silico models for identification of potential thyroid hormone system-disrupting chemicals. The conformal prediction framework with the underlying Random Forest was used as a wrapper for the models allowing for setting the desired confidence level and controlling the error rate of predictions. The trained models were then applied to two different databases: (i) an in-house database comprising xenobiotics identified in human blood and ii) currently used chemicals registered in the Swedish Product Register, which have been predicted to have a high exposure index to consumers. The application of these models showed that among currently used chemicals, fewer were overall predicted as active compared to chemicals identified in human blood. Chemicals of specific concern for TH disruption were identified from both databases based on their predicted activity.

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  • 39. Durig, Wiebke
    et al.
    Tröger, Rikard
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Rybacka, Aleksandra
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fischer, Stellan
    Wiberg, Karin
    Ahrens, Lutz
    Development of a suspect screening prioritization tool for organic compounds in water and biota2019In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 222, p. 904-912Article in journal (Refereed)
    Abstract [en]