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  • 1. Durig, Wiebke
    et al.
    Tröger, Rikard
    Andersson, Patrik L.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Rybacka, Aleksandra
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Fischer, Stellan
    Wiberg, Karin
    Ahrens, Lutz
    Development of a suspect screening prioritization tool for organic compounds in water and biota2019Inngår i: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 222, s. 904-912Artikkel i tidsskrift (Fagfellevurdert)
    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. 

  • 2.
    Gao, Qiuju
    et al.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Blum, Kristin M.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Gago-Ferrero, Pablo
    Wiberg, Karin
    Ahrens, Lutz
    Andersson, Patrik L.
    Umeå universitet, Teknisk-naturvetenskapliga fakulteten, Kemiska institutionen.
    Impact of on-site wastewater infiltration systems on organic contaminants in groundwater and recipient waters2019Inngår i: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 651, s. 1670-1679Artikkel i tidsskrift (Fagfellevurdert)
    Abstract [en]

    On-site sewage treatment facilities, particularly septic systems combined with soil infiltration, can be an important source of emerging organic contaminants in groundwater and surface water and thus represent a significant source of environmental and human exposure. Two infiltration systems in Åre municipality, Sweden, were examined to assess the occurrence of contaminants in groundwater and their fate and transport during infiltration. Groundwater samples, recipient surface water samples, and wastewater samples from septic tanks were collected from 2016 to 2017 covering all climatological seasons. These samples were analysed for a total of 103 contaminants, including pharmaceuticals, personal care products, organic phosphorus flame-retardants, plasticisers, perfluoroalkyl substances, and food additives. Fourteen of 103 contaminants showed 100% detection frequency in groundwater at concentrations in the low ng L−1 to low μg L−1 range. Of the compounds analysed, tris(2‑butoxyethyl) phosphate, sucralose, caffeine, and benzophenone showed high abundancy with maximum concentrations in the μg L−1 range. The data were normalised for dilution using chloride and sucralose as commonly applied tracers; however, the level of sucralose decreased significantly during infiltration and it is thus suboptimal as a sewage water tracer. Large differences between the two infiltration sites were observed in detection frequencies and concentrations in groundwater, which could be attributed to the system design and the contaminant's migration time from release to sampling point. Seasonal variation was observed for selected chemicals, and the more hydrophobic chemicals showed a higher tendency for attenuation, indicating sorption as a major retention mechanism. A moderate environmental risk to aquatic organisms was estimated in adjacent surface water for galaxolide, tris(1‑chloro‑2‑propyl) phosphate, and tris(2‑butoxyethyl) phosphate. Due to this site-dependency and potential environmental risks, further studies are needed on infiltration systems in different settings and on alternative treatment techniques to reduce the contaminant discharge from on-site sewage treatment facilities.

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