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Andersson, Patrik L.
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Publications (10 of 123) Show all publications
Zheng, Z., Peters, G. M., Arp, H. P. & Andersson, P. L. (2019). Combining in Silico Tools with Multicriteria Analysis for Alternatives Assessment of Hazardous Chemicals: A Case Study of Decabromodiphenyl Ether Alternatives. Environmental Science and Technology, 53(11), 6341-6351
Open this publication in new window or tab >>Combining in Silico Tools with Multicriteria Analysis for Alternatives Assessment of Hazardous Chemicals: A Case Study of Decabromodiphenyl Ether Alternatives
2019 (English)In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 53, no 11, p. 6341-6351Article in journal (Refereed) Published
Abstract [en]

Alternatives assessment is applied for minimizing the risk of unintentionally replacing a hazardous chemical with another hazardous chemical. Central challenges are the diversity of properties to consider and the lack of high-quality experimental data. To address this, a novel alternatives assessment procedure was developed based on in silico data and multicriteria decision analysis (MCDA) methods. As a case study, 16 alternatives to the flame retardant decabromodiphenyl ether were considered. The hazard properties included persistence (P), bioaccumulation potential (B), toxicities (T), and mobility in water (M). Databases were consulted and 2866 experimental data points were collected for the target chemicals; however, these were mostly replicate data points for some hazard criteria for a subset of alternatives. Therefore, in silico data and three MCDA strategies were tested including heat mapping, multiattribute utility theory (MAUT), and Elimination Et Choix Traduisant la REalite (ELECTRE III). The heat map clearly showed that none of the target chemicals are hazard-free, whereas MAUT and ELECTRE III agreed on ranking the "least worst" choices. This study identified several challenges and the complexity in the alternatives assessment processes motivating more case studies combining in silico and MCDA approaches.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2019
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-161452 (URN)10.1021/acs.est.8b07163 (DOI)000470793900024 ()31081616 (PubMedID)
Funder
Swedish Research Council Formas, 942-2015-672
Available from: 2019-07-10 Created: 2019-07-10 Last updated: 2019-07-10Bibliographically approved
Durig, W., Tröger, R., Andersson, P. L., Rybacka, A., Fischer, S., Wiberg, K. & Ahrens, L. (2019). Development of a suspect screening prioritization tool for organic compounds in water and biota. Chemosphere, 222, 904-912
Open this publication in new window or tab >>Development of a suspect screening prioritization tool for organic compounds in water and biota
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2019 (English)In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, Vol. 222, p. 904-912Article in journal (Refereed) Published
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. 

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Suspect screening, Suspect screening, Physicochemical properties, Endocrine-disrupting chemicals (EDCs), Prioritization of compounds, Modeling, Database
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-158063 (URN)10.1016/j.chemosphere.2019.02.021 (DOI)000462109200102 ()
Funder
Swedish Environmental Protection Agency, NV-08996-13Swedish Research Council Formas, 222-2012-2124
Available from: 2019-04-15 Created: 2019-04-15 Last updated: 2019-04-15Bibliographically approved
Gao, Q., Blum, K. M., Gago-Ferrero, P., Wiberg, K., Ahrens, L. & Andersson, P. L. (2019). Impact of on-site wastewater infiltration systems on organic contaminants in groundwater and recipient waters. Science of the Total Environment, 651, 1670-1679
Open this publication in new window or tab >>Impact of on-site wastewater infiltration systems on organic contaminants in groundwater and recipient waters
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2019 (English)In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 651, p. 1670-1679Article in journal (Refereed) Published
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.

Place, publisher, year, edition, pages
Elsevier, 2019
Keywords
Micropollutants, Environmental fate, Pharmaceuticals and personal care products, Drain field, Leach field, Decentralised wastewater treatment system
National Category
Environmental Sciences Oceanography, Hydrology and Water Resources
Identifiers
urn:nbn:se:umu:diva-154019 (URN)10.1016/j.scitotenv.2018.10.016 (DOI)000450551600003 ()30317168 (PubMedID)
Funder
Swedish Research Council Formas, RedMic (216 - 2012-2101)Swedish Agency for Marine and Water Management, 907-2017
Available from: 2018-12-20 Created: 2018-12-20 Last updated: 2018-12-20Bibliographically approved
McCallum, E. S., Lindberg, R. H., Andersson, P. L. & Brodin, T. (2019). Stability and uptake of methylphenidate and ritalinic acid in nine-spine stickleback (Pungitius pungitius) and water louse (Asellus aquaticus). Environmental science and pollution research international, 26(9), 9371-9378
Open this publication in new window or tab >>Stability and uptake of methylphenidate and ritalinic acid in nine-spine stickleback (Pungitius pungitius) and water louse (Asellus aquaticus)
2019 (English)In: Environmental science and pollution research international, ISSN 0944-1344, E-ISSN 1614-7499, Vol. 26, no 9, p. 9371-9378Article in journal (Refereed) Published
Abstract [en]

The presence of human pharmaceuticals in the environment has garnered significant research attention because these compounds may exert therapeutic effects on exposed wildlife. Yet, for many compounds, there is still little research documenting their stability in the water column and uptake in organism tissues. Here, we measured the uptake and stability of methylphenidate (Ritalin (R), a frequently prescribed central nervous system stimulant) and its primary metabolite, ritalinic acid, in (1) water only or (2) with nine-spine stickleback and water louse. Methylphenidate degraded to ritalinic acid in both studies faster at a higher temperature (20 degrees C versus 10 degrees C), with concentrations of ritalinic acid surpassing methylphenidate after 48-100 h, depending on temperature. The concentration of methylphenidate in stickleback was highest at the first sampling point (60 min), while the concentration in water louse tissues reached comparatively higher levels and peaked after similar to 6 days. Neither stickleback nor water louse took up ritalinic acid in tissues despite being present in the water column. Our findings provide valuable data for use in future risk assessment of methylphenidate and will aid in the design of studies aimed at measuring any ecotoxicological effects on, for example, the behaviour or physiology of aquatic organisms.

Place, publisher, year, edition, pages
Springer, 2019
Keywords
Pharmaceuticals, Ecotoxicology, Stimulant, Behaviour, Methylphenidate, Aquatic organisms
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-158603 (URN)10.1007/s11356-019-04557-9 (DOI)000464851100088 ()30805842 (PubMedID)
Available from: 2019-05-08 Created: 2019-05-08 Last updated: 2019-05-08Bibliographically approved
Blum, K. M., Gallampois, C., Andersson, P. L., Renman, G., Renman, A. & Haglund, P. (2018). Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds. Journal of Hazardous Materials, 361, 111-122
Open this publication in new window or tab >>Comprehensive assessment of organic contaminant removal from on-site sewage treatment facility effluent by char-fortified filter beds
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2018 (English)In: Journal of Hazardous Materials, ISSN 0304-3894, E-ISSN 1873-3336, Vol. 361, p. 111-122Article in journal (Other academic) Published
Abstract [en]

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

Place, publisher, year, edition, pages
Elsevier, 2018
Keywords
Screening, decentralized wastewater treatment systems, GC×GC-HRMS, LC IM HRMS, biochar, quantitative structure-property relationship
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:umu:diva-144261 (URN)10.1016/j.jhazmat.2018.08.009 (DOI)000449125800013 ()30176409 (PubMedID)
Funder
Swedish Research Council Formas, 216-2012-2101
Available from: 2018-01-29 Created: 2018-01-29 Last updated: 2019-04-09Bibliographically approved
Larsson, M., Fraccalvieri, D., Andersson, C. D., Bonati, L., Linusson, A. & Andersson, P. L. (2018). Identification of potential aryl hydrocarbon receptor ligands by virtual screening of industrial chemicals. Environmental science and pollution research international, 25(3), 2436-2449
Open this publication in new window or tab >>Identification of potential aryl hydrocarbon receptor ligands by virtual screening of industrial chemicals
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2018 (English)In: Environmental science and pollution research international, ISSN 0944-1344, E-ISSN 1614-7499, Vol. 25, no 3, p. 2436-2449Article in journal (Refereed) Published
Abstract [en]

We have developed a virtual screening procedure to identify potential ligands to the aryl hydrocarbon receptor (AhR) among a set of industrial chemicals. AhR is a key target for dioxin-like compounds, which is related to these compounds’ potential to induce cancer and a wide range of endocrine and immune system related effects. The virtual screening procedure included an initial filtration aiming at identifying chemicals with structural similarities to 66 known AhR binders, followed by three enrichment methods run in parallel. These include two ligand-based methods (structural fingerprints and nearest neighbor analysis) and one structure-based method using an AhR homology model. A set of 6,445 commonly used industrial chemicals was processed, and each step identified unique potential ligands. Seven compounds were identified by all three enrichment methods, and these compounds included known activators and suppressors of AhR. Only approximately 0.7% (41 compounds) of the studied industrial compounds was identified as potential AhR ligands and among these, 28 compounds have to our knowledge not been tested for AhR-mediated effects or have been screened with low purity. We suggest assessment of AhR-related activities of these compounds and in particular 2-chlorotrityl chloride, 3-p-hydroxyanilino-carbazole, and 3-(2-chloro-4-nitrophenyl)-5-(1,1-dimethylethyl)-1,3,4-oxadiazol-2(3H)-one.

Place, publisher, year, edition, pages
Springer, 2018
Keywords
virtual screening, aryl hydrocarbon receptor, industrial chemicals, molecular descriptors, structural similarity, molecular docking
National Category
Chemical Sciences Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-139486 (URN)10.1007/s11356-017-0437-9 (DOI)000422970600042 ()29127629 (PubMedID)
Note

Originally included in thesis in manuscript form

Available from: 2017-09-14 Created: 2017-09-14 Last updated: 2018-06-09Bibliographically approved
Kupryianchyk, D., Giesler, R., Bidleman, T. F., Liljelind, P., Lau, D. C., Sponseller, R. A. & Andersson, P. L. (2018). Industrial and natural compounds in filter-feeding black fly larvae and water in 3 tundra streams. Environmental Toxicology and Chemistry, 37(12), 3011-3017
Open this publication in new window or tab >>Industrial and natural compounds in filter-feeding black fly larvae and water in 3 tundra streams
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2018 (English)In: Environmental Toxicology and Chemistry, ISSN 0730-7268, E-ISSN 1552-8618, Vol. 37, no 12, p. 3011-3017Article in journal (Refereed) Published
Abstract [en]

We report concentrations of polychlorinated biphenyls, polybrominated diphenyl ethers, novel flame retardants, and naturally occurring bromoanisoles in water and filter-feeding black fly (Simuliidae) larvae in 3 tundra streams in northern Sweden. The results demonstrate that black fly larvae accumulate a wide range of organic contaminants and can be used as bioindicators of water pollution in Arctic streams.

Place, publisher, year, edition, pages
John Wiley & Sons, 2018
Keywords
Emerging pollutants, Fate and transport, Bioaccumulation, Long-range transport, Arctic streams, Legacy contaminants
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-153986 (URN)10.1002/etc.4267 (DOI)000451335300007 ()30183099 (PubMedID)
Available from: 2018-12-11 Created: 2018-12-11 Last updated: 2018-12-20Bibliographically approved
Zhang, J., Grundström, C., Brännström, K., Iakovleva, I., Lindberg, M. J., Olofsson, A., . . . Sauer-Eriksson, A. E. (2018). Interspecies variation between fish and human transthyretins in their binding of thyroid-disrupting chemicals. Environmental Science and Technology, 52(20), 11865-11874
Open this publication in new window or tab >>Interspecies variation between fish and human transthyretins in their binding of thyroid-disrupting chemicals
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2018 (English)In: Environmental Science and Technology, ISSN 0013-936X, E-ISSN 1520-5851, Vol. 52, no 20, p. 11865-11874Article in journal (Refereed) Published
Abstract [en]

Thyroid-disrupting chemicals (TDCs) are xenobiotics that can interfere with the endocrine system and cause adverse effects in organisms and their offspring. TDCs affect both the thyroid gland and regulatory enzymes associated with thyroid hormone homeostasis. Transthyretin (TTR) is found in the serum and cerebrospinal fluid of vertebrates, where it transports thyroid hormones. Here, we explored the interspecies variation in TDC binding to human and fish TTR (exemplified by Gilthead seabream (Sparus aurata)). The in vitro binding experiments showed that TDCs bind with equal or weaker affinity to seabream TTR than to the human TTR, in particular, the polar TDCs (>500-fold lower affinity). Crystal structures of the seabream TTR TDC complexes revealed that all TDCs bound at the thyroid binding sites. However, amino acid substitution of Ser117 in human TTR to Thr117 in seabream prevented polar TDCs from binding deep in the hormone binding cavity, which explains their low affinity to seabream TTR Molecular dynamics and in silico alanine scanning simulation also suggested that the protein backbone of seabream TTR is more rigid than the human one and that Thr117 provides fewer electrostatic contributions than Ser117 to ligand binding. This provides an explanation for the weaker affinities of the ligands that rely on electrostatic interactions with Thr117. The lower affinities of TDCs to fish TTR, in particular the polar ones, could potentially lead to milder thyroid-related effects in fish.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2018
National Category
Biochemistry and Molecular Biology
Identifiers
urn:nbn:se:umu:diva-153704 (URN)10.1021/acs.est.8b03581 (DOI)000447816100046 ()30226982 (PubMedID)
Funder
Swedish Research Council Formas, 210-2012-131Swedish Research Council, 521-2011-6427Swedish Research Council, 2015-03607
Available from: 2018-12-05 Created: 2018-12-05 Last updated: 2018-12-05Bibliographically approved
Blum, K. M., Haglund, P., Gao, Q., Ahrens, L., Gros, M., Wiberg, K. & Andersson, P. L. (2018). Mass fluxes per capita of organic contaminants from on-site sewage treatment facilities. Chemosphere (201), 864-873
Open this publication in new window or tab >>Mass fluxes per capita of organic contaminants from on-site sewage treatment facilities
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2018 (English)In: Chemosphere, ISSN 0045-6535, E-ISSN 1879-1298, no 201, p. 864-873Article in journal (Other academic) Published
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.

Keywords
Decentralized wastewater treatment systems, environmental load, surface water, diffuse sources, GC×GC-HRMS
National Category
Analytical Chemistry
Identifiers
urn:nbn:se:umu:diva-144259 (URN)10.1016/j.chemosphere.2018.03.058 (DOI)000430895300095 ()29567470 (PubMedID)
Available from: 2018-01-29 Created: 2018-01-29 Last updated: 2019-04-09Bibliographically approved
Blum, K. M., Andersson, P. L., Ahrens, L., Wiberg, K. & Haglund, P. (2018). Persistence, mobility and bioavailability of emerging organic contaminants discharged from sewage treatment plants. Science of the Total Environment, 612, 1532-1542
Open this publication in new window or tab >>Persistence, mobility and bioavailability of emerging organic contaminants discharged from sewage treatment plants
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2018 (English)In: Science of the Total Environment, ISSN 0048-9697, E-ISSN 1879-1026, Vol. 612, p. 1532-1542Article in journal (Refereed) Published
Abstract [en]

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

Place, publisher, year, edition, pages
Elsevier, 2018
Keywords
Mass fluxes, Fate, Sediment-water distribution, Bioaccumulation, Non-target screening, GC x GC-HRMS
National Category
Environmental Sciences
Identifiers
urn:nbn:se:umu:diva-141837 (URN)10.1016/j.scitotenv.2017.09.006 (DOI)000413313700151 ()28915547 (PubMedID)
Available from: 2017-11-14 Created: 2017-11-14 Last updated: 2019-04-09Bibliographically approved
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