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  • 1. Abafe, Ovokeroye A.
    et al.
    Späth, Jana
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Buckley, Chris
    Stark, Annegret
    Pietruschka, Bjoern
    Martincigh, Bice S.
    LC-MS/MS determination of antiretroviral drugs in influents and effluents from wastewater treatment plants in KwaZulu-Natal, South Africa2018In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 200, p. 660-670Article in journal (Refereed)
    Abstract [en]

    South Africa has the largest occurrence of the human immune deficiency virus (HIV) in the world but has also implemented the largest antiretroviral (ARV) treatment programme. It was therefore of interest to determine the presence and concentrations of commonly used antiretroviral drugs (ARVDs) and, also, to determine the capabilities of wastewater treatment plants (WWTPs) for removing ARVDs. To this end, a surrogate standard based LC-MS/MS method was optimized and applied for the detection of thirteen ARVDs used in the treatment and management of HIV/acquired immune deficiency syndrome (HIV/AIDS) in two major and one modular WWTP in the eThekwini Municipality in KwaZulu-Natal, South Africa. The method was validated and the detection limits fell within the range of 2–20 ng L−1. The analytical recoveries for the ARVDs were mainly greater than 50% with acceptable relative standard deviations. The concentration values ranged from <LOD – 53000 ng L−1 (influent), <LOD – 34000 ng L−1 (effluent) in a decentralized wastewater treatment facility (DEWATS); <LOD – 24000 ng L−1 (influent), <LOD – 33000 ng L−1 (effluent) in Northern WWTP and 61–34000 ng L−1 (influent), <LOD – 20000 ng L−1 (effluent) in Phoenix WWTP. Whilst abacavir, lamivudine and zidovudine were almost completely removed from the effluents, atazanavir, efavirenz, lopinavir and nevirapine persisted in the effluents from all three WWTPs. To estimate the ecotoxicological risks associated with the discharge of ARVDs, a countrywide survey focussing on the occurrence of ARVDs in WWTPs, surface and fresh water bodies, and aquatic organisms, is necessary.

  • 2. Accinelli, Cesare
    et al.
    Saccà, Maria Ludovica
    Batisson, Isabelle
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mencarelli, Mariangela
    Grabic, Roman
    Removal of oseltamivir (Tamiflu) and other selected pharmaceuticals from wastewater using a granular bioplastic formulation entrapping propagules of Phanerochaete chrysosporium2010In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 81, no 3, p. 436-43Article in journal (Refereed)
    Abstract [en]

    The capacity of the ligninolytic fungus Phanerochaete chrysosporium to degrade a wide variety of environmentally persistent xenobiotics has been largely reported in the literature. Beside other factors, one barrier to a wider use of this bioremediation fungus is the availability of effective formulations that ensure easy preparation, handling and application. In this series of laboratory experiments, we evaluated the efficiency of a granular bioplastic formulation entrapping propagules of P. chrysosporium for removal of four selected pharmaceuticals from wastewater samples. Addition of inoculated granules to samples of the wastewater treatment plant of Bologna significantly increased the removal of the antiviral drug oseltamivir (Tamiflu), and the antibiotics, erythromycin, sulfamethoxazol, and ciprofloxacin. Similar effects were also observed in effluent water. Oseltamivir was the most persistent of the four active substances. After 30d of incubation, approximately two times more oseltamivir was removed in bioremediated wastewater than controls. The highest removal efficiency of the bioplastic formulation was observed with the antibiotic ciprofloxacin. Microbiological DNA-based analysis showed that the bioplastic matrix supported the growth of P. chrysosporium, thus facilitating its adaptation to unusual environment such as wastewater.

  • 3. Accinelli, Cesare
    et al.
    Saccà, Maria Ludovica
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mencarelli, Mariangela
    Lindberg, Richard
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Olsen, Björn
    Dissipation and removal of oseltamivir (Tamiflu) in different aquatic environments2010In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 79, no 8, p. 891-897Article in journal (Refereed)
    Abstract [en]

    The antiviral drug oseltamivir (Tamiflu) has received recent attention due to the potential use as a first-line defense against H5N1 and H1N1 influenza viruses. Research has shown that oseltamivir is not removed during conventional wastewater treatments, thus having the potential to enter surface water bodies. A series of laboratory experiments investigated the fate and the removal of oseltamivir in two surface water ecosystems of Japan and in a municipal wastewater treatment plant located in Northern Italy. Persistence of oseltamivir in surface water ranged from non-detectable degradation to a half-life of 53d. After 40d, <3% of radiolabeled oseltamivir evolved as (14)CO(2). The presence of sediments (5%) led to a significant increase of oseltamivir degradation and mineralization rates. A more intense mineralization was observed in samples of the wastewater treatment plant when applying a long incubation period (40d). More precisely, 76% and 37% of the initial radioactivity applied as (14)C-oseltamivir was recovered as (14)CO(2) from samples of the biological tank and effluent water, respectively. Two bacterial strains growing on oseltamivir as sole carbon source were isolated and used for its removal from synthetic medium and environmental samples, including surface water and wastewater. Inoculation of water and wastewater samples with the two oseltamivir-degrading strains showed that mineralization of oseltamivir was significantly higher in both inoculated water and wastewater, than in uninoculated controls. Denaturing gradient gel electrophoresis and quantitative PCR analysis showed that Tamiflu would not affect the microbial population of surface water and wastewater.

  • 4.
    Assefa, Anteneh
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Department of Aquatic Sciences and Assessment, Swedish University of Agricultural Sciences, Uppsala, Sweden.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Bignert, Anders
    Josefsson, Sarah
    Wiberg, Karin
    Sources of polychlorinated dibenzo-p-dioxins and dibenzofurans to Baltic Sea herring2019In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 218, p. 493-500Article in journal (Refereed)
    Abstract [en]

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

  • 5.
    Aurell, Johanna
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Effects of sulfur on PCDD/F formation under stable and transient combustion conditions during MSW incineration2009In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 76, no 6, p. 767-773Article in journal (Refereed)
    Abstract [en]

    SO2 levels in the flue gas from a laboratory-scale fluidized bed reactor combusting artificial municipal solid waste (MSW) were varied (resulting in four different SO2:HCl ratios 0, 0.2, 0.7 and 2.7 (by mass)) to study the effects of sulfur on the formation of polychlorinated dibenzo-p-dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs) and polychlorinated dibenzothiophenes (PCDTs). Sampling was performed simultaneously at three fixed points in the post-combustion zone with temperatures of 400, 300 and 200 °C, under normal combustion conditions and both during and after transient combustion conditions. The findings indicate that sulfur has a greater inhibitory effect on PCDF formation than on PCDD formation and that the PCDD/PCDF ratio in the flue gas depends on both the SO2:HCl ratio in the flue gas and memory effects arising from transient combustion conditions. The results also indicate that the relative importance of different pathways shifts in the post-combustion zone; condensation products increasing with reductions in temperature and increases in residence time. However, these changes appear to depend on the SO2:HCl ratio in the flue gas and combustion conditions. Sulfur seems to inhibit the chlorination of PCDFs. A tendency for increased SO2 levels in the flue gas to increase levels of PCDTs was also detected, but the increases were much less significant than the reductions in PCDF levels.

  • 6.
    Aurell, Johanna
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Effects of varying combustion conditions on PCDD/F emissions and formation during MSW incineration2009In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 75, no 5, p. 667-673Article in journal (Refereed)
    Abstract [en]

    Process, combustion and fuel parameters were varied to elucidate factors that substantially affect the formation and emissions of polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) arising from municipal solid waste (MSW) incineration. The combustion conditions were varied by changing the: freeboard temperatures; quench time in the post-combustion zone; fuel load; chlorine and copper levels in the fuel; and the water, sulfur dioxide, carbon monoxide and oxygen levels in the combustion gases. The study was performed using a 5 kW laboratory-scale fluidized-bed reactor and PCDD/Fs were sampled at a point at 300 °C in the post-combustion zone. The results showed that increasing the SO2 level (from 0 to 130 ppm) substantially reduced the PCDD/F emissions, by up to 60%. In contrast, increasing the CO levels (due to transient combustion conditions), raising the Cl level (from 0.7% to 1.7%) and reducing the freeboard temperature (from 800 °C to 660 °C) all substantially increased the emission levels (more than 3-fold). Changes in PCDD/F profiles associated with increases in Cl, SO2 or CO levels and increasing the freeboard temperature (from 800 °C to 950 °C) indicate that the PCDFs were mainly formed by chlorination. In addition, increasing the Cl level increased the chlorination activity in the formation of PCDDs. Increasing the SO2 level appeared to be less effective in reducing the amount of PCDDs formed via the precursor pathway. While increased CO levels induced PCDD formation via the precursor pathway, although this was found to depend on the O2 level in the flue gas.

  • 7. Beijer, Kristina
    et al.
    Bjorlenius, Berndt
    Shaik, Siraz
    Lindberg, Richard H.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Brunstrom, Bjorn
    Brandt, Ingvar
    Removal of pharmaceuticals and unspecified contaminants in sewage treatment effluents by activated carbon filtration and ozonation: Evaluation using biomarker responses and chemical analysis2017In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 176, p. 342-351Article in journal (Refereed)
    Abstract [en]

    Traces of active pharmaceutical ingredients (APIs) and other chemicals are demonstrated in effluents from sewage treatment plants (STPs) and they may affect quality of surface water and eventually drinking water. Treatment of effluents with granular activated carbon (GAC) or ozone to improve removal of APIs and other contaminants was evaluated at two Swedish STPs, Kappala and Uppsala (88 and 103 APIs analyzed). Biomarker responses in rainbow trout exposed to regular and additionally treated effluents were determined. GAC and ozone treatment removed 87-95% of the total concentrations of APIs detected. In Kappala, GAC removed 20 and ozonation (7 g O-3/m(3)) 21 of 24 APIs detected in regular effluent. In Uppsala, GAC removed 25 and ozonation (5.4 g O-3/m(3)) 15 of 25 APIs detected in effluent. GAC and ozonation also reduced biomarker responses caused by unidentified pollutants in STP effluent water. Elevated ethoxyresorufin-O-deethylase (EROD) activity in gills was observed in fish exposed to effluent in both STPs. Gene expression analysis carried out in Kappala showed increased concentrations of cytochrome P450 (CYP1A5 and CYP1C3) transcripts in gills and of CYP1As in liver of fish exposed to effluent. In fish exposed to GAC- or ozone-treated effluent water, gill EROD activity and expression of CYP1As and CYP1C3 in gills and liver were generally equal to or below levels in fish held in tap water. The joint application of chemical analysis and sensitive biomarkers proved useful for evaluating contaminant removal in STPs with new technologies.

  • 8.
    Bergknut, Magnus
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Frech, Kristina
    Umeå University, Faculty of Science and Technology, Chemistry.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Characterization and classification of complex PAH samples using GC-qMS and GC-TOFMS2006In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 65, no 11, p. 2208-2215Article in journal (Refereed)
    Abstract [en]

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

  • 9. Bever, Candace S.
    et al.
    Rand, Amy A.
    Nording, Malin L.
    Department of Entomology and Nematology, and UCD Comprehensive Cancer Center, University of California Davis, Davis, CA, USA.
    Taft, Diana
    Kalanetra, Karen M.
    Mills, David A.
    Breck, Melissa A.
    Smilowitz, Jennifer T.
    German, J. Bruce
    Hammock, Bruce D.
    Effects of triclosan in breast milk on the infant fecal microbiome2018In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 203, p. 467-473Article in journal (Refereed)
    Abstract [en]

    Triclosan is frequently used for its antimicrobial properties and has been detected in human serum, urine, and breast milk. Animal and molecular studies have shown that triclosan exerts a wide range of adverse health effects at both high (ppm) and low (ppb) concentrations. Since triclosan is of growing concern to human and environmental health, there is a need to improve extraction procedures and to study additional effects from triclosan exposure. In this study, we have improved triclosan extraction from breast milk by using salt (MgSO4) to reduce emulsion formation and increase water polarity and water (similar to 80%) to enhance the overall extraction efficiency (similar to 3.5 fold). This extraction method was applied to breast milk samples collected from donors who i) recorded their use of triclosan-containing personal care products and ii) provided matching infant stool samples. Of the participants who had detectable amounts of triclosan in their breast milk, nine (75%) of them reported daily use of triclosan-containing personal care products. Levels of triclosan in breast milk were compared to the donor's infant's fecal microbiome. We found that the bacterial diversity in the fecal microbiome of the infants exposed to breast milk with detectable triclosan levels differed compared to their peers exposed to milk containing non-detectable amounts. This finding implies that exogenous chemicals are impacting microbiome diversity.

  • 10.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Nygren, Olle
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Field estimates of polyurethane foam: air partition coefficients for hexachlorobenzene, alpha-hexachlorocyclohexane and bromoanisoles2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 159, p. 126-131Article in journal (Refereed)
    Abstract [en]

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

  • 11.
    Bidleman, Terry F.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Breakthrough during air sampling with polyurethane foam: What do PUF 2/PUF 1 ratios mean?2018In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 192, p. 267-271Article in journal (Refereed)
    Abstract [en]

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

  • 12. Bignert, Anders
    et al.
    Eriksson, Ulla
    Nyberg, Elisabeth
    Miller, Aroha
    Danielsson, Sara
    Consequences of using pooled versus individual samples for designing environmental monitoring sampling strategies2014In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 94, p. 177-182Article in journal (Refereed)
    Abstract [en]

    Choosing an appropriate sampling strategy for chemical analysis within environmental monitoring includes the important decision of whether to sample and store individual or pooled samples. This choice impacts on future analyses from Environmental Specimen Bank samples. A number of advantages exist to support using either individual or pooled samples for temporal trend studies. However, it is important to know the total and analytical variance to be able to design the best sampling strategy. Statistical power in temporal or spatial studies is determined by the random/unexplained sample variation. The relationship between chemical analytical error and other sources of variation, as well as the cost for collection, preparation of samples and chemical analysis, will determine the number of individuals in each pool, and the number of pools that should be analysed to achieve high cost efficiency and good statistical power. Various scenarios of different numbers of individual samples, different numbers of pooled samples containing various numbers of individual specimens, the relationships between chemical analytical error and other sources of sample variance, have been compared by simulating random sampling from computer generated populations using realistic measures of variation from ongoing monitoring activities. These results offer guidance in the design of a cost-efficient, statistically sound sampling strategy. (C) 2013 Elsevier Ltd. All rights reserved.

  • 13.
    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.

  • 14.
    Blum, Kristin M.
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Norström, Sara H.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Golovko, Oksana
    Grabic, Roman
    Järhult, Josef D.
    Koba, Olga
    Söderström Lindström, Hanna
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Umeå University, Faculty of Medicine, Department of Public Health and Clinical Medicine, Occupational and Environmental Medicine.
    Removal of 30 active pharmaceutical ingredients in surface water under long-term artificial UV irradiation2017In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 176, p. 175-182Article in journal (Refereed)
    Abstract [en]

    This study investigated the i) kinetics, and ii) proportion of photolysis of 30 relatively stable active pharmaceutical ingredients (APIs) during artificial UV irradiation for 28 d in ammonium acetate buffer, filtered and unfiltered river water. Buffer was included to control removal kinetics under stable pH conditions and without particulate matter. Dark controls were used to determine removal due to other processes than photolysis and calculate the proportion of photolysis of the total removal. The removal of each API in each matrix was determined using online solid phase extraction/liquid chromatography tandem mass spectrometry (online SPE/LC-MS/MS). Most APIs transformed during the 28 d of UV irradiation and the dark controls showed that photolysis was the major removal process for the majority of the APIs studied. The half-lives ranged from 6 h (amitriptyline) in unfiltered river water to 884 h (37 d, carbamazepine) in buffer. In unfiltered river water, the proportion of APIs with short half-lives (&lt;48 h) was much higher (29%) than in the other matrices (4%), probably due to additional organic carbon, which could have promoted indirect photolysis. Furthermore, two APIs, memantine and fluconazole, were stable in all three matrices, while alprazolam was stable in buffer and unfiltered river water and four additional APIs were stable in buffer. Considering the relatively long-term UV-exposure, this study enabled the investigation of environmentally relevant half-lives in natural waters. Many APIs showed high persistence, which is environmentally concerning and emphasizes the importance of further studies on their environmental fate and effects.

  • 15.
    Calderon, Blanca
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Univ Alicante, Dept Chem Engn, San Vicente del Raspeig Rd S-N, Alicante 03690, Spain.
    Lundin, Lisa
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Aracil, Ignacio
    Fullana, Andres
    Study of the presence of PCDDs/PCDFs on zero-valent iron nanoparticles2017In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 169, p. 361-368Article in journal (Refereed)
    Abstract [en]

    Studies show that nanoscale zero-valent iron (nZVI) particles enhance the formation of chlorinated compounds such as polychlorinated dioxins and furans (PCDD/Fs) during thermal processes. However, it is unclear whether nZVI acts as a catalyst for the formation of these compounds or contains impurities, such as PCDD/Fs, within its structure. We analyzed the presence of PCDD/Fs in nZVI particles synthesized through various production methods to elucidate this uncertainty. None of the 2,3,7,8-substituted congeners were found in the commercially-produced nZVI, but they were present in the laboratory synthesized nZVI produced through the borohydride method, particularly in particles synthesized from iron (III) chloride rather than from iron sulfate. Total PCDD/F WHO-TEQ concentrations of up to 35 pg/g were observed in nZVI particles, with hepta-and octa-chlorinated congeners being the most abundant. The reagents used in the borohydride method were also analyzed, and our findings suggest that FeCl3 effectively contains PCDD/Fs at concentrations that could explain the concentrations observed in the nZVI product. Both FeCl3 and nZVI showed a similar PCDD/F patterns with slight differences. These results suggest that PCDD/Fs might transfer from FeCl3 to nZVI during the production method, and thus, care should be taken when employing certain nZVI for environmental remediation.

  • 16.
    Do, Lan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Optimization of selective pressurized liquid extraction for extraction and in-cell clean-up of PCDD/Fs in soils and sediments2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 90, no 9, p. 2414-2419Article in journal (Refereed)
    Abstract [en]

    This paper describes the development of methods for selective extraction of polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs) from soils and sediments, using pressurized liquid extraction with in-cell clean-up (SPLE). Two binary solvent mixtures, viz. dichloromethane/n-heptane (DCM/Hp), and diethylether/n-heptane (DEE/Hp), were evaluated. The SPLE extraction conditions were optimized using central composite face (CCF) design. Three factors were investigated: extraction temperature (60-160°C), number of extraction cycles (1-3) and time per cycle (2-18min). The results showed that DCM/Hp (1/1, v/v) and DEE/Hp (1/2, v/v) were the best extraction solvent compositions and that the extraction temperature was a critical factor that needed careful optimization to achieve high extraction efficiency without co-extraction of sulfuric acid. Under the optimal conditions, the SPLE methods provided results with good accuracy and precision. For the sandy soil certified reference material (CRM-529) the quantification results ended up in the range 82-110% as compared to the concentrations obtained by a reference method based on Soxhlet extraction and external column clean-up. Furthermore, for a clay soil (CRM-530) and a sediment reference material (WMS-01), the accuracy (trueness) of the TEQ values were +11% (DCM/Hp) and +8% (DEE/Hp) for CRM-530, +8% and -7% for WMS-01, respectively. The individual congener concentrations also agreed well with the certified values. These findings show that SPLE is a promising method for combined extraction and clean-up of PCDD/Fs in soil/sediment samples.

  • 17.
    Duong Phan, Ngoc Chau
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Weidemann, Eva
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundin, Lisa
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Jansson, Stina
    Swedish University of Agricultural Sciences.
    Accurate sampling of PCDD/F in high temperature flue-gas using cooled sampling probes2012In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 88, no 7, p. 832-836Article in journal (Refereed)
    Abstract [en]

    In a laboratory-scale combustion reactor, flue-gas samples were collected at two temperatures in the post-combustion zone, 700 °C and 400 °C, using two different water-cooled sampling probes. The probes were the cooled probe described in the European Standard method EN-1948:1, referred to as the original probe, and a modified probe that contained a salt/ice mixture to assist the cooling, referred to as the sub-zero probe. To determine the efficiency of the cooling probes, internal temperature measurements were recorded at 5 cm intervals inside the probes. Flue-gas samples were analyzed for polychlorinated dibenzo-p-dioxin and dibenzofurans (PCDD/Fs). Samples collected at 700 °C using the original cooling probe showed higher concentrations of PCDD/Fs compared to samples collected using the sub-zero probe. No significant differences were observed between samples collected at 400 °C. The results indicated that artifact formation of PCDD/Fs readily occurs during flue-gas sampling at high temperatures if the cooling within the probe is insufficient, as found for the original probe at 700 °C. It was also shown that this problem could be alleviated by using probes with an enhanced cooling capacity, such as the sub-zero probe.

    Although this may not affect samples collected for regulatory purposes in exit gases, it is of great importance for research conducted in the high-temperature region of the post-combustion zone. 

  • 18. 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]

    A customizable in silico tool (SusTool) for generating high resolution mass spectrometry (HRMS) suspect screening lists, specifically designed for the detection of hazardous organic compounds in various environmental compartments, was created. A database consisting of similar to 32 000 environmentally relevant organic compounds was constructed, including data on their physicochemical properties, environmental fate characteristics, and endocrine disruption potential, along with emissions and quantity indices. Welldefined customized suspect lists were generated by systematic ranking using a scoring and weighting procedure. For demonstration purposes, three suspect screening lists were created, one for water (SLWater) and two for biota covering less (SLBiota Kow<5 ) or more hydrophobic chemicals (SLBiota Kow>3). Scrutiny of overlaps between compounds within these lists and the SusDat database (20 suspect lists comprising similar to 58 000 compounds compiled by the Norman network) showed that approximately half of the compounds in the three suspect lists were also listed in one of the SusDat database lists. This indicates that SusTool is able to include highly relevant emerging pollutants, but also captures other compounds of potential concern that have been less well studied or not yet investigated. Overall, our in silico prioritization approach enables systematic creation of suspect screening lists and provides new opportunities for suspect screening for environmentally relevant compounds. 

  • 19.
    Edo, Mar
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ortuño, Núria
    Persson, Per-Erik
    Conesa, Juan A.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Emissions of toxic pollutants from co-combustion of demolition and construction wood and household waste fuel blends2018In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 203, p. 506-513Article in journal (Refereed)
    Abstract [en]

    Four different types of fuel blends containing demolition and construction wood and household waste were combusted in a small-scale experimental set-up to study the effect of fuel composition on the emissions of polychlorinated dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs), biphenyls (PCBs), chlorobenzenes (PCBzs), chlorophenols (PCPhs) and polycyclic aromatic hydrocarbons (PAHs). Two woody materials, commercial stemwood (ST) and demolition and construction wood (DC) were selected because of the differences in their persistent organic pollutants (POPs), ash and metals content. For household waste, we used a municipal solid waste (MSW) and a refuse-derived fuel (RDF) from MSW with 5-20 wt% and up to 5 wt% food waste content respectively. No clear effect on the formation of pollutants was observed with different food waste content in the fuel blends tested. Combustion of ST-based fuels was very inefficient which led to high PAH emissions (32 +/- 3.8 mg/kg(fuel)). The use of DC clearly increased the total PCDD and PCDF emissions (71 +/- 26 mu g/kg(fuel)) and had a clear effect on the formation of toxic congeners (210 +/- 87 ng WHO2005-TEQ/kg(fuel)). The high PCDD and PCDF emissions from DC-based fuels can be attributed to the presence of material contaminants such as small pieces of metals or plastics as well as timber treated with chromated copper arsenate preservatives and pentachlorophenol in the DC source. 

  • 20.
    Fedorova, Ganna
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry. University of South Bohemia in Ceske Budejovice, Faculty of Fisheries and Protection of Waters, South Bohemian Research Center of Aquaculture and Biodiversity of Hydrocenoses, Vodnany, Czech Republic.
    Grabic, Roman
    Nyhlen, Jonas
    Järhult, Josef D.
    Söderström, Hanna
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fate of three anti-influenza drugs during ozonation of wastewater effluents: degradation and formation of transformation products2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 150, p. 723-730Article in journal (Refereed)
    Abstract [en]

    Anti-influenza drugs constitute a key component of pandemic preparedness plans against influenza. However, the occurrence of such drugs in water environments, the potential of resistance development in the natural hosts, and the risk for transmission of antiviral resistance to humans call for measures to increase removal in wastewater treatment plants (WWTPs). In this study, removal of three anti-influenza drugs; amantadine (AM), oseltamivir carboxylate (OC) and zanamivir (ZA), and formation/removal of their transformation products during ozonation of wastewater effluents from two Swedish WWTPs in Uppsala and Stockholm were studied. The removal profile of target antivirals and formation/removal of their transformation products were studied by liquid chromatography/high resolution mass spectrometry. 3.5 h of ozone exposure (total dose of ozone 5.95 g) led to complete removal of the three anti-influenza drugs with a degradation in the following order ZA > OC > AM. Two, five and one transformation products were identified and semi-quantified for AM, OC and ZA, respectively. Increasing and later decreasing transformation products concentration followed the decrease in concentration of target compounds. All transformation products detected, except one of AM in wastewater from Stockholm WWTP, were removed at the end of the experiment. The removal efficiency was higher for all studied compounds in wastewater from Uppsala WWTP, which had lower TOC and COD values, less phosphorus, and also higher pH in the water. Ozonation thus offers multiple benefits through its potential to degrade influenza antivirals, hence decrease the risk of environmental resistance development, in addition to degrading other pharmaceuticals and resistant microorganisms.

  • 21.
    Fick, Jerker
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Brodin, Tomas
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Heynen, Martina
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Klaminder, Jonatan
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Jonsson, Micael
    Umeå University, Faculty of Science and Technology, Department of Ecology and Environmental Sciences.
    Grabicova, Katerina
    Randak, Tomas
    Grabic, Roman
    Kodes, Vit
    Slobodnik, Jaroslav
    Sweetman, Andrew
    Earnshaw, Mark
    Caracciolo, Anna Barra
    Lettieri, Teresa
    Loos, Robert
    Screening of benzodiazepines in thirty European rivers2017In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 176, p. 324-332Article in journal (Refereed)
    Abstract [en]

    Pharmaceuticals as environmental contaminants have received a lot of interest over the past decade but, for several pharmaceuticals, relatively little is known about their occurrence in European surface waters. Benzodiazepines, a class of pharmaceuticals with anxiolytic properties, have received interest due to their behavioral modifying effect on exposed biota. In this study, our results show the presence of one or more benzodiazepine(s) in 86% of the analyzed surface water samples (n = 138) from 30 rivers, representing seven larger European catchments. Of the 13 benzodiazepines included in the study, we detected 9, which together showed median and mean concentrations (of the results above limit of quantification) of 5.4 and 9.6 ng L-1, respectively. Four benzodiazepines (oxazepam, temazepam, clobazam, and bromazepam) were the most commonly detected. In particular, oxazepam had the highest frequency of detection (85%) and a maximum concentration of 61 ng L-1. Temazepam and clobazam were found in 26% (maximum concentration of 39 ng L-1) and 14% (maximum concentration of 11 ng L-1) of the samples analyzed, respectively. Finally, bromazepam was found only in Germany and in 16 out of total 138 samples (12%), with a maximum concentration of 320 ng L-1. This study clearly shows that benzodiazepines are common micro-contaminants of the largest European river systems at ng L-1 levels. Although these concentrations are more than a magnitude lower than those reported to have effective effects on exposed biota, environmental effects cannot be excluded considering the possibility of additive and sub-lethal effects.

  • 22.
    Gao, Qiuju
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Budarin, Vitaliy L.
    Cieplik, Mariusz
    Gronnow, Mark
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    PCDDs, PCDFs and PCNs in products of microwave-assisted pyrolysis of woody biomass: Distribution among solid, liquid and gaseous phases and effects of material composition2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 145, p. 193-199Article in journal (Refereed)
    Abstract [en]

    Microwave-assisted pyrolysis (MAP) of lignocellulosic biomass is a technique that could potentially be used to produce and upgrade renewable energy carriers. However, there is no available information about the formation of dioxins and other organic pollutants in MAP treatment of woody biomass. In this study, MAP experiments were conducted in lab-scale using virgin softwood, bark, and impregnated wood as feedstocks. The non-condensable gas, liquid (fractionated into aqueous and oil phases), and char fractions generated during pyrolysis were collected and analysed for polychlorinated dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs) and naphthalenes (PCNs). The concentrations of PCDDs, PCDFs and PCNs in the pyrolysis products ranged from 0.52 to 43.7 ng kg(-1). All investigated compound groups were most abundant in the oil fraction, accounting for up to 68% (w/w) of the total concentrations. The highest PCDD, PCDF and PCN concentrations were found from the pyrolysis of bark, which has relatively high contents of chlorine and mineral matter, followed by impregnated wood, which contains organic and metal-based preservatives. The homologue profiles of all three compound groups were dominated by the less chlorinated homologues. The homologue abundance decreased as the degree of chlorination increased. This trend was observed for all three feedstocks.

  • 23.
    Gao, Qiuju
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Cieplik, Mariusz K
    Budarin, Vitaliy L
    Gronnow, Mark
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Mechanistic evaluation of polychlorinated dibenzo-p-dioxin, dibenzofuran and naphthalene isomer fingerprints in microwave pyrolysis of biomass2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 150, p. 168-175Article in journal (Refereed)
    Abstract [en]

    Isomer distribution patterns of polychlorinated dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs) and naphthalenes (PCNs) were investigated in microwave-assisted pyrolysis (MAP) products of woody biomass. The feedstocks included bark and impregnated wood. The results indicated that isomer distributions in MAP are more selective compared to those reported from wood burning and waste incineration. Favored formation of 4-MoCDF and highly selective chlorine substitution at the 2,4-position observed during MAP suggested a preferred formation pathway of PCDFs involving (chloro)phenol precursors followed by subsequent chlorination. The PCDD distribution was dominated by isomers typically formed from chlorophenol condensation at relatively low temperature. The PCN isomer distributions showed a tendency for sequential chlorination from non-substituted naphthalene at successive positions. The presence of isomers such as 1-MoCDD, 4-MoCDF, 1,2,3-TriCN with low thermodynamic stability indicates that kinetic factors may be important in the MAP process.

  • 24. Hale, Sarah E.
    et al.
    Arp, Hans Peter H.
    Kupryianchyk, Darya
    Department of Environmental Engineering, Norwegian Geotechnical Institute (NGI).
    Cornelissen, Gerard
    A synthesis of parameters related to the binding of neutral organic compounds to charcoal2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 144, p. 65-74Article in journal (Refereed)
    Abstract [en]

    Abstract The sorption strength of neutral organic compounds to charcoal, also called biochar was reviewed and related to charcoal and compound properties. From 29 studies, 507 individual Freundlich sorption coefficients were compiled that covered the sorption strength of 107 organic contaminants. These sorption coefficients were converted into charcoal-water distribution coefficients (KD) at aqueous concentrations of 1 ng/L, 1 µg/L and 1 mg/L. Reported log KD values at 1 µg/L varied from 0.38 to 8.25 across all data. Variation was also observed within the compound classes; pesticides, herbicides and insecticides, PAHs, phthalates, halogenated organics, small organics, alcohols and PCBs. Five commonly reported variables; charcoal production temperature T, surface area SA, H/C and O/C ratios and organic compound octanol–water partitioning coefficient, were correlated with KD values using single and multiple-parameter linear regressions. The sorption strength of organic compounds to charcoals increased with increasing charcoal production temperature T, charcoal SA and organic pollutant octanol–water partitioning coefficient and decreased with increasing charcoal O/C ratio and charcoal H/C ratio. T was found to be correlated with SA (r2 = 0.66) and O/C (r2 = 0.50), particularly for charcoals produced from wood feedstocks (r2 = 0.73 and 0.80, respectively). The resulting regression: log KD = (0.18 ± 0.06) log Kow + (5.74 ± 1.40) log T + (0.85 ± 0.15) log SA + (1.60 ± 0.29) log OC + (−0.89 ± 0.20) log HC + (−13.20 ± 3.69), r2 = 0.60, root mean squared error = 0.95, n = 151 was obtained for all variables. This information can be used as an initial screening to identify charcoals for contaminated soil and sediment remediation.

  • 25.
    Jansson, Stina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Formation and chlorination of polychlorinated naphthalenes (PCNs) in the post-combustion zone during MSW combustion2008In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 72, no 8, p. 1138-1144Article in journal (Refereed)
    Abstract [en]

    Non- to octa-chlorinated naphthalenes (PCNs) were analyzed in flue gas samples collected simultaneously at three different temperatures (450 °C, 300 °C and 200 °C, respectively) in the post-combustion zone during waste combustion experiments using a laboratory-scale fluidized-bed reactor. PCN homologue profiles in all samples were dominated by the lower chlorinated homologues (mono- to triCN), with successive reductions in abundance with each additional degree of chlorination. The isomer distribution patterns reflected ortho-directionality behavior of the first chlorine substituent, and the β-positions, i.e. the 2,3,6,7-substitution sites, seemed to be favored for chlorination. Injection of naphthalene into the post-combustion zone resulted in increased PCN levels at 200 °C, demonstrating the occurrence of chlorination reactions in the post-combustion zone. However, the increases were restricted to the least-chlorinated homologue (monoCN), probably because there was insufficient residence time for further chlorination. In addition, an episode of poor combustion (manifested by high CO levels) was accompanied by extensive formation of 1,8-diCN, 1,2,3- and 1,2,8-triCN; congeners with substitution patterns that are not thermodynamically favorable. These are believed to be products of PAH breakdown reactions and/or chlorophenol condensation. Overall, PCN formation is likely to occur via more than one pathway, including chlorination of naphthalene that is already present, de novo synthesis from PAHs and, possibly, chlorophenol condensation.

  • 26.
    Jansson, Stina
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Fick, Jerker
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Chemistry.
    Post-combustion formation of PCDD, PCDF, PCBz, and PCPh in a laboratory-scale reactor: Influence of dibenzo-p-dioxin injection2009In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 76, no 6, p. 818-25Article in journal (Refereed)
    Abstract [en]

    Formation of polychlorinated dibenzo-p-dioxins (PCDD), dibenzofurans (PCDF), benzenes (PCBz), and phenols (PCPh) was studied during combustion of an artificial municipal solid waste (MSW) in a laboratory-scale fluidized-bed reactor with simultaneous collection of flue gas samples at three different temperatures in the post-combustion zone (450 degrees C, 300 degrees C, and 200 degrees C). PCDF, PCBz, and PCPh were predominantly formed at or above the first sampling point (450 degrees C) with a dominance of the lower chlorinated homologues. PCDDs, on the other hand, were dominated by the intermediately chlorinated homologues with concentrations peaking at 300 degrees C. The dominating PCPh congeners clearly displayed the ortho-para directionality, which is indicative of electrophilic aromatic substitution, as did the PCBz isomer distribution patterns to some extent. Comparison of the observed PCBz isomer distribution patterns to prior work may indicate coupling of aliphatic species in chlorobenzene formation. The PCDDs seemed to be largely influenced by chlorophenol condensation reactions and to some extent chlorination reactions, while the PCDFs displayed a chlorination-oriented pattern for the mono- to tri-chlorinated homologues and a PCPh condensation pattern for the higher chlorinated homologues. Injection of non-chlorinated dibenzo-p-dioxin at 650 degrees C resulted in increased formation of Tri-HxCDD and a decrease in the dibenzofuran levels. The affected PCDD and PCDF congeners were not products expected to form from chlorine substitution, but instead are well known chlorophenol condensation products.

  • 27.
    Jansson, Stina
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundin, Lisa
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Grabic, Roman
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Characterisation and fingerprinting of PCBs in flue gas and ash from waste incineration and in technical mixtures2011In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 85, no 3, p. 509-515Article in journal (Refereed)
    Abstract [en]

    Congener patterns of mono- to deca-chlorinated biphenyls (PC(1-10)B) were evaluated in (a) waste incineration flue gases collected in the post-combustion zone of a laboratory-scale fluidized-bed reactor, (b) ashes from two different MSW incineration plants, and (c) published data of eight Aroclor formulations. The congener patterns of the flue gases, ashes, and Aroclor mixtures clearly differed from each other, likely reflecting differences in formation pathways. The flue gas congener patterns were largely dominated by the least chlorinated congeners, whereas the ashes displayed more evenly distributed patterns. The most abundant congeners indicated a preference for 3,3',4,4'-oriented substitution, which may be related to de novo-type formation involving perylene. Principal component analysis confirmed that congener patterns differed among the three matrices and also distinguished flue gases collected at 200°C from those collected at 300°C and 450°C. This distinction could be partly explained by the degree of chlorination, although the substitution status of the ortho-position, and substitution in the 3,3',4,4'-positions also seemed to be influential. Injecting biphenyl into the post-combustion zone of the reactor did not alter the patterns, indicating that availability of the backbone structure is not a limiting factor for PCB formation.

  • 28. Josefsson, Sarah
    et al.
    Arp, Hans Peter H.
    Kleja, Dan Berggren
    Enell, Anja
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Determination of polyoxymethylene (POM) - water partition coefficients for oxy-PAHs and PAHs2015In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 119, p. 1268-1274Article in journal (Refereed)
    Abstract [en]

    Oxygenated polycyclic aromatic hydrocarbons (oxy-PAHs) are a class of ubiquitously occurring pollutants of which little is known. They can be co-emitted with PAHs or formed from PAHs in the environment. The environmental fate and risk of oxy-PAHs are difficult to assess due to a lack of methods to quantify their pore water concentrations. One sampler that can be used to determine freely dissolved concentrations of organic contaminants is polyoxymethylene (POM). In this study, POM - water partition coefficients (K-POM) were determined for 11 oxy-PAHs. K-POM values of 8 PAHs with similar hydrophobicities as the oxy-PAHs were determined for comparison. Results showed that log K-POM values ranged from 2.64 to 4.82 for the PAHs (2-4 rings), similar to previously determined values. LogK(pom) values for investigated oxy-PAHs ranged from 0.96 to 5.36. The addition of carbonylic oxygen on a parent PAH generally lowered K-POM by 0.5 to 1.0 log units, which is attributable to the presence of carbonylic oxygens increasing water solubility. The K-POM values presented here will facilitate simultaneous assessments of freely dissolved water concentrations of oxy-PAHs and PAHs in environmental media.

  • 29.
    Josefsson, Sarah
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Karlsson, O Magnus
    IVL Swedish Environmental Research Institute, P.O. Box 210 60, SE-110 31 Stockholm, Sweden.
    Malmaeus, J Mikael
    IVL Swedish Environmental Research Institute, P.O. Box 210 60, SE-110 31 Stockholm, Sweden.
    Cornelissen, Gerard
    NGI, Sognsvn. 72, NO-0855 Oslo, Norway.
    Wiberg, Karin
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Structure-related distribution of PCDD/Fs, PCBs and HCB in a river-sea system2011In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 83, no 2, p. 85-94Article in journal (Refereed)
    Abstract [en]

    Water concentrations of PCDD/Fs, HCB, and non-ortho, mono-ortho, and non-dioxin-like PCBs were measured four times during 1year in a coastal area of the Baltic Sea, to investigate background levels and distribution behaviour. Sampling sites included two rivers, an estuary, and the sea. Particulate and apparently dissolved concentrations were determined using active sampling (filters+PUFs), while freely dissolved concentrations were determined using passive sampling (POM-samplers). The distribution between particulate+colloidal and freely dissolved phases, in the form of TOC-normalized distribution ratios (K(TOC)), was found to be near or at equilibrium. The observed K(TOC) were not significantly different between sampling sites or seasons. For PCDD/Fs, the concentrations were significantly correlated to suspended particulate matter (SPM), while no correlation to organic carbon (TOC) was observed. In the estuary and the sea, PCB concentrations were correlated to TOC. The sorption of various congeners to SPM and TOC appeared to be related to both hydrophobicity and 3D-structure. The PCDD/F concentration in the sea decreased to one third in May, likely connected to the increased vertical flux of particles during the spring bloom.

  • 30.
    Josefsson, Sarah
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Leonardsson, Kjell
    Institutionen för vilt, fisk och miljö, SLU.
    Gunnarsson, Jonas S
    Systemekologiska institutionen, Stockholms universitet.
    Wiberg, Karin
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Influence of contaminant burial depth on the bioaccumulation of PCBs and PBDEs by two benthic invertebrates (Monoporeia affinis and Marenzelleria spp.)2011In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 85, no 9, p. 1444-1451Article in journal (Refereed)
    Abstract [en]

    The bioaccumulation of buried polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) added to specific depths in sediment (2.0-2.5, 5.0-5.5 and 10.0-10.5cm) was studied in two infaunal species with similar feeding habits (surface deposit-feeders) but different bioturbation modes. The deep-burrowing polychaetes Marenzelleria spp. (Mz) displayed up to 36 times higher tissue concentrations of buried (spiked) contaminants than the surface-dwelling biodiffusing amphipod Monoporeia affinis. The differences in bioaccumulation were most pronounced for less hydrophobic contaminants due to the bioirrigating activity of Mz. Contaminants buried at shallow depths displayed higher accumulation than more deeply buried contaminants. In contrast, the bioaccumulation of unspiked (native) contaminants with a uniform vertical distribution in the sediment was similar between the species. For Mz, the BSAFs increased with increased K(OW) for the uniformly distributed contaminants, but decreased for the buried contaminants, which indicates that the dominant uptake routes of the buried contaminants can differ from the uniformly distributed contaminants. The surface sediment concentration of buried contaminants increased in Mz treatments, showing that Mz bioturbation can remobilize historically buried contaminants to the biologically active surface layer and increase the exposure for surface-dwelling species.

  • 31. Kierkegaard, Amelie
    et al.
    Bignert, Anders
    McLachlan, Michael S.
    Cyclic volatile methylsiloxanes in fish from the Baltic Sea2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 93, no 5, p. 774-778Article in journal (Refereed)
    Abstract [en]

    Laboratory studies suggest that the cyclic volatile methylsiloxanes (cVMS) octamethylcyclotetrasiloxane (D4), decamethylcyclopentasiloxane (05) and dodecamethylcyclohexasiloxane (D6) will persist in the aquatic environment and bioaccumulate in fish. Here these cVMS were measured in herring collected in the Swedish waters of the Baltic Sea and the North Sea and in grey seals from the Baltic Proper. D4, D5, and D6 were present in herring muscle at concentrations around 10, 200, and 40 ng g(-1) lipid weight, respectively. The ratio of these concentrations was similar to the relative magnitude of estimated emissions to water, suggesting that the efficiency of overall transfer through the environment and food web was similar (within a factor 2-3) for the three chemicals. The concentrations of D5 and D6 were similar in herring caught in the highly populated Baltic Proper and in the less populated Bothnian Sea and Bothnian Bay. The D4 concentrations were lower at the most remote northern station, suggesting that D4 is less persistent than D5 and D6. Herring from the North Sea had lower levels of all three chemicals. The concentrations of D4, D5 and D6 in grey seal blubber were lower than the lipid normalized concentrations in herring, indicating that they do not biomagnify in grey seals. (C) 2012 Elsevier Ltd. All rights reserved.

  • 32.
    Kozyatnyk, Ivan
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Swietlik, Joanna
    Raczyk-Stanisławiak, Ursula
    Dąbrowska, Agata
    Klymenko, Nataliya
    Nawrocki, Jacek
    Influence of oxidation on fulvic acids composition and biodegradability2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 92, no 10, p. 1335-1342Article in journal (Refereed)
    Abstract [en]

    Oxidation is well-known process of transforming natural organic matter during the treatment of drinking water. Chlorine, ozone, and chlorine dioxide are common oxidants used in water treatment technologies for this purpose. We studied the influence of different doses of these oxidants on by-products formation and changes in biodegradable dissolved organic carbon (BDOC) and molecular weight distribution (MWD) of fulvic acids (FA) with different BDOC content. Chlorination did not significantly change the MWD of FA and disinfection by-products formation. However, higher molecular weight compounds, than those in the initial FA, were formed. It could be a result of chlorine substitution into the FA structure. Chlorine dioxide oxidized FA stronger than chlorine. During ozonation of FA, we found the highest increase of BDOD due to the formation of a high amount of organic acids and aldehydes. FA molecules were transformed into a more biodegradable form. Ozonation is the most preferable process among those observed for pre-treatment of FA before biofiltration.

  • 33.
    Kumpiene, Jurate
    et al.
    Luleå University of Technology.
    Brännvall, Evelina
    Luleå University of Technology.
    Wollters, Martin
    Skoglund, Nils
    Energy Engineering, Department of Engineering Sciences & Mathematics, Luleå University of Technology, SE-97187 Luleå, Sweden.
    Čirba, Stasys
    Aksamitauskas, Vladislovas Česlovas
    Phosphorus and cadmium availability in soil fertilized with biosolids and ashes2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 151, p. 124-132Article in journal (Refereed)
    Abstract [en]

    The recycling of hygienized municipal sewage sludge (biosolids) to soil as the source of phosphorus (P) is generally encouraged. The use of biosolids, however, has some concerns, such as the presence of elevated concentrations of potentially toxic trace elements, and the possible presence of pathogens, hormones and antibiotics. Organic substances are destroyed during combustion whereas trace elements could partly be separated from P in different ash fractions. Biomass combustion waste (ash) can instead be considered as an alternative P source. This study evaluates and compares the impact of biosolids and their combustion residues (ashes), when used as fertilizers, on P and Cd solubility in soil, plant growth and plant uptake of these elements. Biosolids were also amended with K and Ca to improve the composition and properties of P in ashes, and incinerated at either 800 °C or 950 °C. Combustion of biosolids improved the Cd/P ratio in ashes by 2–5 times, compared with the initial biosolids. The low Cd content in ashes (4–9 mg Cd (kg P)−1) makes this material a particularly attractive alternative to mineral fertilizers. Significantly higher pore water P (as well as total N) was measured in soils containing biosolids, but plants produced a higher biomass in soil fertilized with ashes. The K and Ca amendments prior to biosolids combustion generally decreased the total Cd in ash, but had little effect on P and Cd uptake and biomass growth. Similarly, the combustion temperature had negligible effect on these factors as well.

  • 34.
    Kumpiene, Jurate
    et al.
    Division of Waste Science and Technology, Luleå University of Technology, SE- 97187 Luleå, Sweden.
    Ragnvaldsson, Daniel
    Swedish Defence Research Agency, Umeå, Sweden.
    Lövgren, Lars
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tesfalidet, Solomon
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Gustavsson, Björn
    Division of Waste Science and Technology, Luleå University of Technology, SE- 97187 Luleå, Sweden.
    Lättström, Anders
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Leffler, Per
    Swedish Defence Research Agency, Umeå, Sweden.
    Maurice, Christian
    Ramböll Sweden, SE-971 26 Luleå, Sweden.
    Impact of water saturation level on arsenic and metal mobility in the Fe-amended soil2009In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 74, no 2, p. 206-215Article in journal (Refereed)
    Abstract [en]

    The impact of water saturation level (oxidizing-reducing environment) on As and metal solubility in chromium, copper, arsenic (CCA)-contaminated soil amended with Fe-containing materials was studied. The soil was mixed with 0.1 and 1 wt% of iron grit (Fe(0)) and 1, 7 and 15 wt% of oxygen scarfing granulate (OSG, a by-product of steel processing). Solubility of As and metals was evaluated by a batch leaching test and analysis of soil pore water. Soil saturation with water greatly increased As solubility in the untreated as well as in the Fe-amended soil. This was related to the reductive dissolution of Fe oxides and increased concentration of As(III) species. Fe amendments showed As reducing capacity under both oxic and anoxic conditions. The cytotoxicity of the soil pore water correlated with the concentration of As(III). The Fe-treatments as well as water saturation of soil were less significant for the solubility of Cu, Cr and Zn than for As. The batch leaching test used for waste characterization substantially underestimated As solubility that could occur under water-saturated (anaerobic) conditions. In the case of soil landfilling, other techniques than Fe-stabilization of As containing soil should be considered.

  • 35.
    Kupryianchyk, Darya
    et al.
    Norwegian Geotechnical Institute, P.O. Box 3930 Ullevål Stadion, 0806 Oslo, Norway.
    Hale, Sarah E.
    Breedveld, Gijs D.
    Cornelissen, Gerard
    Treatment of sites contaminated with perfluorinated compounds using biochar amendment2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 142, p. 35-40Article in journal (Refereed)
    Abstract [en]

    Abstract Per- and polyfluorinated compounds (PFCs) have been attracting increasing attention due to their considerable persistence, bioaccumulation, and toxicity. Here, we studied the sorption behavior of three PFCs, viz. perfluorooctanesulfonic acid (PFOS), perfluorooctanecarboxylic acid (PFOA), perfluorohexanesulfonic acid (PFHxS), on one activated carbon (AC) and two biochars from different feedstocks, viz. mixed wood (MW) and paper mill waste (PMW). In addition, we explored the potential of remediating three natively PFC contaminated soils by the addition of AC or biochar. The sorption coefficient i.e. Freundlich coefficients Log KF, (μg/kg)/(μg/L)n, for the two biochars were 4.61 ± 0.11 and 4.41 ± 0.05 for PFOS, 3.02 ± 0.04 and 3.01 ± 0.01 for PFOA, and 3.21 ± 0.07 and 3.18 ± 0.03 for PFHxS, respectively. The AC sorbed the PFCs so strongly that aqueous concentrations were reduced to below detection limits, implying that the Log KF values were above 5.60. Sorption capacities decreased in the order: AC &gt; MW &gt; PMW, which was consistent with the material’s surface area and pore size distribution. PFC sorption to MW biochar was near-linear (Freundlich exponent nF of 0.87–0.90), but non-linear for PMW biochar (0.64–0.73). Addition of the AC to contaminated soils resulted in almost complete removal of PFCs from the water phase and a significant (i.e. 1–3 Log unit) increase in soil–water distribution coefficient Log Kd. However, small to no reduction in pore water concentration, and no effect on Log Kd was found for the biochars. We conclude that amendment with AC but not biochar can be a useful method for in situ remediation of PFC-contaminated soils.

  • 36.
    Kupryianchyk, Darya
    et al.
    Norwegian Geotechnical Institute, Oslo, Norway.
    Hale, Sarah
    Zimmerman, Andrew R.
    Harvey, Omar
    Rutherford, David
    Abiven, Samuel
    Knicker, Heike
    Schmidt, Hans-Peter
    Rumpel, Cornelia
    Cornelissen, Gerard
    Sorption of hydrophobic organic compounds to a diverse suite of carbonaceous materials with emphasis on biochar2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 144, p. 879-887Article in journal (Refereed)
    Abstract [en]

    Carbonaceous materials like biochars are increasingly recognized as effective sorbent materials for sequestering organic pollutants. Here, we study sorption behavior of two common hydrophobic organic contaminants 2,2',5,5'-tetrachlorobiphenyl (CB52) and phenanthrene (PHE), on biochars and other carbonaceous materials (CM) produced at a wide range of conditions and temperatures from various feedstocks. The primary aim was to establish structure–reactivity relationships responsible for the observed variation in CM and biochar sorption characteristics. CM were characterized for their elemental composition, surface area, pore size distribution, aromaticity and thermal stability. Freundlich sorption coefficients for CB52 and PHE (i.e. LogKF,CB52 and KF,PHE, respectively) to CM showed a variation of two to three orders of magnitude, with LogKF,CB52 ranging from 5.12 ± 0.38 to 8.01 ± 0.18 and LogKF,PHE from 5.18 ± 0.09 to 7.42 ± 1.09. The highest LogKF values were observed for the activated CM, however, non-activated biochars produced at high temperatures (&gt;700 °C) sorbed almost as strongly (within 0.2–0.5 Log units) as the activated ones. Sorption coefficients significantly increased with pyrolysis temperature, CM surface area and pore volume, aromaticity, and thermal stability, and decreased with H/C, O/C, (O + N)/C content. The results of our study contribute to the understanding of processes underlying HOC sorption to CM and explore the potential of CM as engineered sorbents for environmental applications.

  • 37. Li, Zhi-Hua
    et al.
    Zlabek, Vladimir
    Velisek, Josef
    Grabic, Roman
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Machova, Jana
    Randak, Tomas
    Responses of antioxidant status and Na+-K+-ATPase activity in gill of rainbow trout, Oncorhynchus mykiss, chronically treated with carbamazepine2009In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, ISSN 1879-1298, Vol. 77, no 11, p. 1476-1481Article in journal (Refereed)
    Abstract [en]

    In recent years, chemical pollution by the residual pharmaceuticals has been increasingly important issue due to its widely present in the aquatic environment. However, the toxicological effects of residual pharmaceuticals on fish have not been adequately researched. The aim of this work is to investigate the toxic effect of CBZ, an anticonvulsant drug commonly present in aquatic environment, on antioxidant status and Na+-K+-ATPase in gill of rainbow trout exposed to sublethal CBZ (1.0 microg L(-1), 0.2 mg L(-1) and 2.0 mg L(-1)) for 7, 21 and 42 d. After prolonged exposure of CBZ at higher test concentration (0.2 or 2.0 mg L(-1)), oxidative stress was apparent as reflected by the significant higher LPO and CP levels in fish gill, as well as the significant inhibition of antioxidant enzymes activities including SOD, CAT, GR and GPx. Besides, reduced glutathione level and Na+-K+-ATPase activity were significantly lower than those of the control after 42 d of exposure to CBZ at higher test concentration (0.2 or 2.0 mg L(-1)). The results of this study indicate that chronic exposure of CBZ has altered multiple physiological indices in fish gill; however, before those parameters are used as special biomarkers for monitoring residual pharmaceuticals in aquatic environment, more detailed experiments in laboratory need to be performed in the future.

  • 38.
    Lundin, Lisa
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Aurell, Johanna
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    The behavior of PCDD and PCDF during thermal treatment of waste incineration ash2011In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 84, no 3, p. 305-310Article in journal (Refereed)
    Abstract [en]

    The polychlorinated dibenzo-p-dioxin (PCDD) and polychlorinated dibenzofuran (PCDF) content of three fly ash samples with different elemental compositions from different municipal waste incinerators were analyzed before and after thermal treatment at 300°C or 500°C. Gas phase emissions during the treatments were also collected and analyzed. Substantial reductions in the total PCCD/F content of the ashes were observed after treatment at 500°C, seemingly due to degradation rather than dechlorination. Treatment at 300°C resulted in an increase in the PCDD/F content of the three ashes. Initial concentration of PCDD/F in the untreated ashes did not reflect the outcome of the treatment at the different temperatures. In addition, the composition of the ash was found to influence the rate of decomposition and formation of PCDD and PCDF during thermal treatment; the results showed that Cu, Fe, Ca and S play important roles in these processes.

  • 39.
    Lundin, Lisa
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Gomez-Rico, Maria Francisca
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Forsberg, Christer
    Vattenfall AB Heat, Älvkarlebylaboratoriet, S-814 26 Älvkarleby, Sweden.
    Nordenskjöld, Carl
    Vattenfall AB Heat, Älvkarlebylaboratoriet, S-814 26 Älvkarleby, Sweden.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry. Vattenfall AB Heat, Älvkarlebylaboratoriet, S-814 26 Älvkarleby, Sweden.
    Reduction of PCDD, PCDF and PCB during co-combustion of biomass with waste products from pulp and paper industry2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 91, no 6, p. 797-801Article in journal (Refereed)
    Abstract [en]

    The use of waste wood as an energy carrier has increased during the last decade. However, elevated levels of alkali metals and chlorine in waste wood compared to virgin biomass can cause increased deposit formation and higher concentrations of organic pollutants. In this study, we investigated the effect of the ChlorOut technique on concentrations of organic pollutants. Ammonium sulfate was injected into the combustion system to inhibit formation of KCl (which causes deposits) and persistent organic pollutants, namely polychlorinated dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs) and biphenyls (PCBs). The results showed that concentrations of the toxic congeners of PCDD, PCDF and PCB decreased in the presence of ammonium sulfate.

  • 40.
    Lundin, Lisa
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    The effects of fuel composition and ammonium sulfate addition on PCDD, PCDF, PCN and PCB concentrations during the combustion of biomass and paper production residuals2014In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 94, p. 20-26Article in journal (Refereed)
    Abstract [en]

    The use of waste wood as an energy carrier has increased during the last decade. However, the higher levels of alkali metals and chlorine in waste wood compared to virgin biomass can promote the formation of deposits and organic pollutants. Here, the effect of fuel composition and the inhibitory effects of ammonium sulfate, (NH4)2SO4, on the concentrations of persistent organic pollutants (POPs) in the flue gas of a lab-scale combustor was investigated. Ammonium sulfate is often used as a corrosion-preventing additive and may also inhibit formation of polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs). In addition to PCDDs and PCDFs, polychlorinated naphthalenes (PCN) and biphenyls (PCB) were also analyzed. It was found that the flue gas composition changed dramatically when (NH4)2SO4 was added: CO, SO2, and NH3 levels increased, while those of HCl decreased to almost zero. However, the additive's effects on POP formation were less pronounced. When (NH4)2SO4 was added to give an S:Cl ratio of 3, only the PCDF concentration was reduced, indicating that this ratio was not sufficient to achieve a general reduction in POP emissions. Conversely, at an S:Cl ratio of 6, significant reductions in the WHO-TEQ value and the PCDD and PCDF contents of the flue gas were observed. The effect on the PCDF concentration was especially pronounced. PCN formation seemed to be promoted by the elevated CO concentrations caused by adding (NH4)2SO4.

  • 41.
    Lundin, Lisa
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Thermal degradation of PCDD/F, PCB and HCB in municipal solid waste ash.2007In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 67, no 3, p. 474-481Article in journal (Refereed)
    Abstract [en]

    A thermal degradation procedure for reducing the concentrations of mono- to octa-chlorinated PCDD/Fs, PCBs and hexa-chlorobenzenes (HCB) in filter ash from incinerated municipal solid waste (MSW) is described. Thermal treatment of filter ash samples at 500 °C for 60 min in a closed system providing low oxygen conditions resulted in 97% and 99% reductions in the total and I-TEQ concentrations of PCDD/Fs, to 6.8 μg kg−1 ash and <0.05 μg I-TEQ kg−1 ash, respectively. Increasing the thermal treatment time to 480 min, at the same temperature, yielded 99% reductions in both total and I-TEQ concentrations of the mono- to octa-chlorinated PCDD/Fs. Similar effects were observed for HCB and PCBs. The data from this study indicate that PCDD/Fs and other toxic organic compounds in ash from incinerated MSW, can be effectively degraded by this procedure, which combines relatively low-temperatures, short treatment times, and low oxygen conditions.

  • 42.
    Lundin, Lisa
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Moltó, Julia
    Fullana, Andres
    Low temperature thermal degradation of PCDD/Fs in soil using nanosized particles of zerovalent iron and CaO2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 91, no 6, p. 740-744Article in journal (Refereed)
    Abstract [en]

    This study investigated the degradation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) in contaminated soil using low temperature treatment (200-280°C) both alone and in combination with nanosized zerovalent iron (nZVI) particles or CaO. Control soil samples and soil fortified with nZVI particles or CaO were treated at 200 and 250°C in sealed glass ampoules. Treatment of the ampouled samples at 250°C was more effective than treatment at 200°C and the reduction in PCDD/F concentration was greatest when soil was treated at 250°C with nZVI addition (indeed, treatment at 200°C in the absence of nZVI resulted in increases in total PCDD and PCDD/F concentrations). In larger-scale experiments based on the obtained results, using a rotary furnace, the greatest reduction in total PCDD/F concentration was achieved by treating soil at 280°C, and adding nZVI to the soil resulted in almost no detectable PCDD/F in the gas phase.

     

  • 43.
    Marklund, Anneli
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Andersson, Barbro
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Screening of organophosphorus compounds and their distribution in various indoor environments2003In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 53, no 9, p. 1137-1146Article in journal (Refereed)
    Abstract [en]

    Twelve organophosphorus compounds (OPs), which are used for diverse purposes (e.g. as plasticizers and flame retardants), were analysed in settled house dust from 15 indoor environments and in wipe test samples from computer screens and covers. Seven of the substances analysed dominated Swedish imports of OPs in 1999, six of these are also listed as EU High Production Volume Chemicals. Eight of the substances were found in all samples. Tris(2-butoxyethyl)phosphate was the most abundant in most of the samples, with levels ranging from 0.014 to 5.3 g/kg followed by tris(2-chloroethyl)phosphate, tris(chloropropyl)phosphate and tris(1,3-dichloropropyl)phosphate. In wipe test samples from computers, triphenyl phosphate proved to be the main component of the OPs analysed (4.0 μg/m2). Potential sources of these compounds include, inter alia, floor polish, polyvinylchloride floor coverings, upholstery and plastic products. The distribution patterns of the OPs differed between the sites and generally reflected the building materials and consumer products used in their vicinity.

  • 44.
    Olofsson, Ulrika
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Brorström-Lundén, Eva
    IVL Swedish Environmental Research Institute.
    Kylin, Henrik
    Norwegian Institute for Air Research.
    Haglund, Peter
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Comprehensive mass flow analysis of Swedish sludge contaminants2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 90, no 1, p. 28-35Article in journal (Refereed)
    Abstract [en]

    A screening of metals, persistent organic pollutants, pharmaceuticals and personal care products (PPCPs), and other organic contaminants in sludge from seven Swedish sewage treatment plants (STPs) was performed in this study. This extensive screening provides information on mass flows of 282 compounds used in the Swedish society to sewage sludge. It reveals constant relative contaminant concentrations (ng-mg kg-1 d.w.), except for some pesticides and perfluorinated compounds, indicating that these originate from broad usage and diffuse dispersion rather than (industrial) point sources. There was a five order of magnitude difference in the sum concentrations of the most and least abundant species (metals and polychlorinated dibenzo-p-dioxins and -furans, respectively). Lower total concentrations were found in sludge from STPs processing primarily food industry or household sewage. Proportions of the amounts used (in Sweden) found in sludge were lower for compounds that are present in consumer goods or are diffusely dispersed into the environment (0.01‑1% recovered in sludge) than for compounds used as detergents or PPCPs (17-63%). In some cases, the recovery seemed to be affected by evaporation (e.g. octamethyl-cyclotetrasiloxane) or biotransformation (e.g. adipates) losses, while polychlorinated alkanes and brominated diphenyl ethers were recovered to disproportionately high degree (ca.4%); likely due to incomplete statistics for imported goods.

  • 45.
    Ortuno, Nuria
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Lundin, Lisa
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Emissions of PBDD/Fs, PCDD/Fs and PBDEs from flame-retarded high-impact polystyrene under thermal stress2015In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 123, p. 64-70Article in journal (Refereed)
    Abstract [en]

    The emissions of polybrominated diphenyl ethers (PBDEs), polybrominated dibenzo-p-dioxins and dibenzofurans (PBDD/Fs) and their chlorinated analogues (PCDD/Fs) during the thermal treatment of a high impact polystyrene (HIPS) TV casing were investigated. The halogenated compounds were analyzed in the original material and in the gases emitted during its treatment at temperatures between 50 degrees C and 250 degrees C. DecaBDE was the primary PBDE in the TV casing, which also contained high levels of PBDFs (ppm range). At the lower treatment temperatures, non-modified PBDEs evaporated from the samples. Conversely, at 200 degrees C or above, debromination reactions led to the formation of additional tri- through nonaBDE. The formation of new PBDD/Fs was also detected in the gas phase when the plastic was heated to 200 degrees C or 250 degrees C, with higher yields of furans than dioxins. This appreciably increased the toxic equivalent (TEQ) levels of the gas phase relative to those seen in the untreated sample. In all cases, the levels and TEQ contributions from PCDD/Fs were negligible compared to those for brominated analogues. (C) 2014 Elsevier Ltd. All rights reserved.

  • 46.
    Persson, Ylva
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Hemström, Kristian
    Öberg, Lars
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Enell, Anja
    Use of a column leaching test to study the mobility of chlorinated HOCs from a contaminated soil and the distribution of compounds between soluble and colloid phases2008In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 71, no 6, p. 1035-1042Article in journal (Refereed)
    Abstract [en]

    An equilibrium and recirculation column test for hydrophobic organic chemicals (ER-H test) was used to study the leaching behaviour of chlorophenols (CPs), polychlorinated diphenyl ethers (PCDEs), polychlorinated dibenzofurans (PCDFs) and polychlorinated dibenzo-p-dioxins (PCDDs) from contaminated soil. A 50% increase in the pore water velocity was shown to have little or no effect on the mobility of CPs, PCDEs, PCDFs and PCDDs. The standard deviations of truly dissolved compounds, CPs, were between 19% and 65% between the tests. However, the repeatability of the ER-H test decreased with increases in the hydrophobicity of the studied compounds; the standard deviations for PCDEs, PCDFs and PCDDs ranged from 53% to 110%, 57% to 77% and 110% to 130%, respectively. The influence of colloids on the release of these compounds was also examined. Up to 30% of the CPs in the soil were leached, of which 1–3% were associated with colloids. The PCDEs, PCDFs and PCDDs were found to be preferably associated with the particulate fraction of the leachate, and less than 0.2% of these compounds were mobilised.

  • 47.
    Persson, Ylva
    et al.
    Umeå University, Faculty of Science and Technology, Chemistry.
    Lundstedt, Staffan
    Umeå University, Faculty of Science and Technology, Chemistry.
    Öberg, Lars
    Umeå University, Faculty of Science and Technology, Chemistry.
    Tysklind, Mats
    Umeå University, Faculty of Science and Technology, Chemistry.
    Levels of chlorinated compounds (CPs, PCPPs, PCDEs, PCDFs and PCDDs) in soils at contaminated sawmill sites in Sweden.2007In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 66, no 2, p. 234-42Article in journal (Refereed)
    Abstract [en]

    Soil samples from five contaminated sawmill sites in Sweden were characterized with respect to chlorophenols (CP), chlorinated phenoxy phenols (PCPP, hydroxylated chlorinated diphenyl ethers), chlorinated diphenyl ethers (PCDE), chlorinated dibenzofurans (PCDF) and chlorinated dibenzo-p-dioxins (PCDD). The composition of chlorinated compounds in the soil samples was compared to the composition of two preservatives commonly used in the Scandinavian wood impregnation industry: the 2,3,4,6-tetrachlorophenol preservative called Ky-5 and the pentachlorophenol preservative Dowicide G. The levels of CPs in the soil samples ranged from 0.1 to 4500 mg kg−1 d.w., PCPPs from <0.15 to 940 mg kg−1 d.w., PCDEs from <38 to 6800 μg kg−1 d.w., PCDFs from 7.4 to 18 000 μg kg−1 d.w. and PCDDs from 9.9 to 35 000 μg kg−1 d.w. The resulting WHO-TEQ of PCDD/Fs in the soil samples ranged from 0.14 to 3000 μg kg−1 d.w. Despite a wide range of concentrations the congener compositions were similar within tetrachlorophenate and pentachlorophenate contaminated soils respectively. The contamination at each sawmill site may be linked to the use of either a tetrachlorphenol preservative, e.g. Ky-5, or a pentachlorophenol preservative, e.g. Dowicide G. Best-fit calculations were used to compare the chlorinated phenol contents of the preservatives to those of the soil samples. This revealed a positive correlation between the hydrophobicity (log Kow) of contaminants and the ratio of their levels in soil to preservatives. The relative abundance of the chlorinated compounds varied greatly between the five sites studied, suggesting that their transport parameters differ substantially.

  • 48.
    Phan, Duong Ngoc Chau
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Jansson, Stina
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Marklund, Stellan
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Effects of regional differences in waste composition on the thermal formation of polychlorinated aromatics during incineration2013In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 93, no 8, p. 1586-1592Article in journal (Refereed)
    Abstract [en]

    Two artificial wastes (A and B) whose contents reflect regional differences in municipal solid waste composition, were used to investigate the thermal formation of polychlorinated dibenzo-p-dioxins (PCDDs), dibenzofurans (PCDFs), biphenyls (PCBs), and naphthalenes (PCNs) during incineration. Flue gas samples were simultaneously collected at three ports in the post-combustion zone corresponding to flue gas temperatures of 400, 300, and 200 °C. The combustion of Waste B, which had a higher chlorine and metal content than Waste A, produced greater levels of highly-chlorinated homologues, as demonstrated by a higher degree of chlorination. The total concentrations of PCDDs, PCDFs, PCBs, and PCNs formed in the combustion of both wastes increased as temperature decreased along the convector. There were no significant differences in total concentrations between Waste A and Waste B combustion at specific temperatures, with exception of PCDFs at 400 °C. Orthogonal Projections to Latent Structures Discriminant Analysis (OPLS-DA) modeling, used to evaluate the data for all compound groups, suggest that during flue gas quenching at temperatures of 400 °C low-chlorinated homologues are preferentially formed in the presence of copper, which is known to be a very active catalyst for this process. At 300 and 200 °C, the formation of highly-chlorinated homologues is favored.

  • 49.
    Rybacka, Aleksandra
    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.
    Considering ionic state in modelling sorption of pharmaceuticals to sewage sludge2016In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 165, p. 284-293Article in journal (Refereed)
    Abstract [en]

    Partitioning of chemicals between particular matter and water in sewage treatment plants provide essential information on fate of chemicals and is particularly challenging for pharmaceuticals that frequently are present in ionized form. The aim of this study was to investigate how ionization state affects partitioning to sludge of active pharmaceutical ingredients (APIs). In addition, we investigated the use of chemical descriptors based on ionized structures to improve our understanding of the underlying mechanisms of sludge sorption and for use in quantitative structure-property relationship (QSPR) models. We collected KD values for 110 APIs, which were classified as neutral, positive, or negative at pH 7. The models with the highest performance exceeded 0.75 R2Y and 0.65 Q2. We found that neutral and positively charged APIs share dominant intermolecular forces with sludge, i.e., hydrophobic, Pi-Pi and dipole-dipole interactions. In contrast, hydrophobicity driven interactions for negatively charged APIs was of little importance and sorption was mainly driven by covalent bonding, and ion-ion, ion-dipole, and dipole-dipole interactions. The performance of the models increased by 5-10% by adding charge-related descriptors, implying importance of electrostatic interactions. Using descriptors calculated for ionized structures did not improve model statistics for positive and negative APIs, however, the model statistics of the neutral APIs increased. We believe that this increase resulted from a better description of neutral zwitterions present in the dataset. 

  • 50.
    Rybacka, Aleksandra
    et al.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Ruden, Christina
    Tetko, Igor V.
    Andersson, Patrik L.
    Umeå University, Faculty of Science and Technology, Department of Chemistry.
    Identifying potential endocrine disruptors among industrial chemicals and their metabolites - development and evaluation of in silico tools2015In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 139, p. 372-378Article in journal (Refereed)
    Abstract [en]

    The aim of this study was to improve the identification of endocrine disrupting chemicals (EDCs) by developing and evaluating in silico tools that predict interactions at the estrogen (E) and androgen (A) receptors, and binding to transthyretin (T). In particular, the study focuses on evaluating the use of the EAT models in combination with a metabolism simulator to study the significance of bioactivation for endocrine disruption. Balanced accuracies of the EAT models ranged from 77-87%, 62-77%, and 65-89% for E-, A-, and T-binding respectively. The developed models were applied on a set of more than 6000 commonly used industrial chemicals of which 9% were predicted E- and/or A-binders and 1% were predicted T-binders. The numbers of E- and T-binders increased 2- and 3-fold, respectively, after metabolic transformation, while the number of A-binders marginally changed. In-depth validation confirmed that several of the predicted bioactivated E- or T-binders demonstrated in vivo estrogenic activity or influenced blood levels of thyroxine in vivo. The metabolite simulator was evaluated using in vivo data from the literature which showed a 50% accuracy for studied chemicals. The study stresses, in summary, the importance of including metabolic activation in prioritization activities of potentially emerging contaminants. 

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