Search

Discovery of emerging pollutants in breast milk will be helpful for understanding the hazards to human health. However, it is difficult to identify key compounds among thousands present in complex samples. In this study, a method for screening compounds with bioaccumulation potential was developed. The method can decrease the number of compounds needing structural identification because the partitioning properties of bioaccumulative compounds can be mapped onto GC×GC chromatograms through their retention behaviors. Twenty pooled samples from seven provinces in China were analyzed. 1,286 compounds with bioaccumulation potential were selected from over 3,000 compounds. Sixty-two compounds, including aromatic compounds, phthalates, and phenolics etc., were identified with a high level of confidence and then quantified. Among them, twenty-seven compounds were found for the first time in breast milk. Three phthalate plasticizers and two phenolic antioxidants were found in significantly higher concentrations than other compounds. A toxicological priority index approach was applied to prioritize the compounds considering their concentrations, detection frequencies and eight toxic effects. The prioritization indicated that 13 compounds, including bis(2-ethylhexyl) phthalate, dibutyl phthalate, 1,3-di-tert-butylbenzene, phenanthrene, 2,6-di-tert-butyl-1,4-benzoquinone, 2,4-di-tert-butylphenol, and others, showed higher health risks. Meanwhile, some compounds with high risk for a particular toxic effect, such as benzothiazole and geranylacetone, were still noteworthy. This study is important for assessing the risks of human exposure to organic compounds.

[Display omitted] • A method for screening compounds with bioaccumulation potential was developed. • The method decreases the number of compounds needing structural identification. • 62 compounds were identified in breast milk, with 27 compounds being found for the first time. • Priority ranking indicated that 13 compounds pose stronger risks. Discovery of emerging pollutants in breast milk will be helpful for understanding the hazards to human health. However, it is difficult to identify key compounds among thousands present in complex samples. In this study, a method for screening compounds with bioaccumulation potential was developed. The method can decrease the number of compounds needing structural identification because the partitioning properties of bioaccumulative compounds can be mapped onto GC×GC chromatograms through their retention behaviors. Twenty pooled samples from seven provinces in China were analyzed. 1,286 compounds with bioaccumulation potential were selected from over 3,000 compounds. Sixty-two compounds, including aromatic compounds, phthalates, and phenolics etc., were identified with a high level of confidence and then quantified. Among them, twenty-seven compounds were found for the first time in breast milk. Three phthalate plasticizers and two phenolic antioxidants were found in significantly higher concentrations than other compounds. A toxicological priority index approach was applied to prioritize the compounds considering their concentrations, detection frequencies and eight toxic effects. The prioritization indicated that 13 compounds, including bis(2-ethylhexyl) phthalate, dibutyl phthalate, 1,3-di- tert -butylbenzene, phenanthrene, 2,6-di- tert -butyl-1,4-benzoquinone, 2,4-di- tert -butylphenol, and others, showed higher health risks. Meanwhile, some compounds with high risk for a particular toxic effect, such as benzothiazole and geranylacetone, were still noteworthy. This study is important for assessing the risks of human exposure to organic compounds. [ABSTRACT FROM AUTHOR]

This study argued for the first time that 6:2 chlorinated polyfluorinated ether sulfonate (6:2 Cl-PFESA) and perfluorooctanesulfonic acid (PFOS) might have different tissue distribution mechanisms in wild fish species. Nine emerging and legacy per- and polyfluoroalkyl substances (PFASs) were detected in the water and wild fish tissues samples collected from the Qiantang River. Perfluorooctanoic acid (213 ng/L) was the predominant PFAS contaminant, and the other contaminants included perfluorohexanoate (19 ng/L), perfluorobutanoate (199 ng/L) and hexafuoropropylene oxide dimer acid (55 ng/L), which are the main fluorinated alternatives used in various industries located along the Qiantang River. Furthermore, PFOS (742 ng/g) and 6:2 Cl-PFESA (9.0 ng/g) were the predominant PFAS contaminants detected in the fish tissue samples. The differences in the potential molecular mechanism of the tissue distribution of PFOS and 6:2 Cl-PFESA in wild fish species are discussed. Additionally, we hypothesize that phospholipid partitioning is the primary mechanism underlying the tissue distribution of PFOS, and that a specific protein-binding mechanism is involved in the tissue distribution of 6:2 Cl-PFESA., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 Elsevier Inc. All rights reserved.)

Disinfection by-products (DBPs) formed from chlorination of antibiotics have greater toxicity than their parent compounds. Herein, this study investigated the biotransformation process of sulfadiazine Cl-DBPs in constructed wetlands (CWs). Results showed that, S atom on sulfonyl group, and N atoms on primary and secondary amine groups were the most reactive sites of sulfadiazine molecule. S1–N4 and S1–C8 of sulfadiazine are the most vulnerable bonds to cleave, followed by C14–N4 and C11–N5 bonds. In the chlorination process, sulfadiazine went through C–N bond cleavage, N-reductive alkylation, halogenation, and desulfonation to produce two aromatic Cl-DBPs. In the biodegradation process in CWs, sulfadiazine Cl-DBPs went through processes mainly including dechlorination, S–N bond cleavage, aniline-NH 2 oxidation, desulfonation, phenol-OH oxidation, benzene ring cleavage, C–N bond cleavage, and β-oxidation of fatty acids under the action of a variety of oxidoreductases and hydrolases, during which a total of ten biodegradation products was identified. Moreover, sulfadiazine affected the biodegradation rather than the adsorption process in CWs. The two aromatic sulfadiazine Cl-DBPs had much higher bioaccumulation potentials than their parent sulfadiazine, but for the ten biodegradation products of sulfadiazine Cl-DBPs in CWs, 70% and almost 100% of them had lower bioaccumulation potentials than sulfadiazine and their parent sulfadiazine Cl-DBPs, respectively. The CWs were effective in reducing the environmental risk of sulfadiazine Cl-DBPs. [Display omitted] • For the first time biotransformation pathway of SD Cl-DBPs in CWs was proposed. • S on sulfonyl and N atoms on primary and secondary amine are most reactive sites of SD. • Two aromatic SD Cl-DBPs and their ten biodegradation products in CWs were detected. • Aromatic SD Cl-DBPs had much higher bioaccumulation potential than their parent SD. • CWs were effective in reducing the environmental risk of SD Cl-DBPs. [ABSTRACT FROM AUTHOR]

For fish stock management and large-scale stocking programs, the chemical substance alizarin red S (ARS) is an important tool to mark fish permanently. Equally, for the IUCN red list species European eel (Anguilla anguilla), ARS is proven to be the most promising option for mass marking. ARS binds to calcified structures (i.e., bones and otoliths) and can be detected using a fluorescence microscope. Despite the frequent application of ARS, not only for eels but also for fish in general, until today, no study has evaluated its bioaccumulation potential. Therefore, the German Federal Risk Assessment Authority was unable to classify ARS as harmless because of a potential risk to consumers' health. Using the technique of liquid chromatography mass spectrometry, an ARS detection protocol was developed and the bioaccumulation potential of ARS in European eel muscle tissue was estimated. A detection limit of 8.9 μg kg−1 could be reached by optimizing the detection method in fish muscle tissue. In the current study, 250 eels between 6 and 57 cm of total length have been analyzed for ARS between 0 day and 3 years after the marking process. The highest concentration of ARS (6056 μg kg−1) was observed immediately after marking in the smallest length class. Only 1 year after the marking procedure, the ARS concentration was below detection limit. A new method for ARS detection in fish muscle tissue, followed by utilization on marked eels, was able to show that the bioaccumulation of ARS in edible fish muscle was highly unlikely. [ABSTRACT FROM AUTHOR]

Lead (Pb), cadmium (Cd), and mercury (Hg) contents in ten species of edible mushrooms in Trakošćan, Croatia were determined. In addition, the similarity between the studied species was determined by cluster analysis. The caps and stipes of the fruiting bodies were analysed separately. The analyses were carried out by inductively coupled plasma - optical emission spectrometry (ICP-OES). The greatest mean lead concentrations of 1.91 and 1.60 mg kg−1were determined in caps and stipes ofMacrolepiota procera. The greatest mean concentrations of cadmium (3.23 and 2.24 mg kg−1) were determined in caps and stipes ofAgaricus campestrisand of mercury (2.56 and 2.35 mg kg−1) inBoletus edulis. In terms of the anatomical parts of the fruiting body (cap-stipe), a considerably greater concentration of the analysed elements was found in the cap for all mushroom species. According to calculated bio-concentration factors, all the examined species were found to be bio-accumulators of Cd and Hg. On the basis of the accumulation of the studied metals, great similarity of mushroom species belonging to the same genus and partial similarity of species of the same ecological affiliation was obtained by cluster analysis. [ABSTRACT FROM AUTHOR]

Heavy metals cause serious problems in the environment, and they can be accumulated in organisms, especially in the higher fungi. The concentration of Ni, Cr, Pb, Cd, and Hg in 10 species of edible mushrooms in Medvednica Nature Park, Croatia was therefore determined. In addition, the similarity between the studied species was determined by cluster analysis based on concentrations of the aforementioned metals in the fruiting bodies. The contents of nickel, chromium, lead, cadmium, and mercury in the fruiting bodies of mushrooms were obtained by X-ray fluorescence spectrometry. The highest concentrations of Ni (3.62 mg kg), Cr (3.01 mg kg), and Cd (2.67 mg kg) were determined in Agaricus campestris. The highest concentration of Pb (1.67 mg kg) was determined in Macrolepiota procera, and the highest concentration of Hg (2.39 mg kg) was determined in Boletus edulis. The concentration of all heavy metals significantly differed ( p < 0.001) between examined saprophytic and ectomycorrhizal mushrooms. Considering anatomical part of the fruiting body (cap-stipe), a considerably higher concentration of the analyzed elements was found in the cap for all mushroom species. According to calculated bioconcentration factors, all the examined species were found to be bioexclusors of Ni, Cr, and Pb and bioaccumulators of Cd and Hg. Cluster analysis performed on the basis of the accumulation of the studied metals revealed great phenotypic similarity of mushroom species belonging to the same genus and partial similarity of species of the same ecological affiliation. [ABSTRACT FROM AUTHOR]

ABSTRACTSoil heavy metal contamination, a major threat due to industrialization, can be tackled by an efficient and economical process called bioremediation. Mushrooms are employed to accumulate heavy metals from soil due to their high metal accumulation potential and better adaptability. The bioaccumulation potential ofGalerina vittiformiswas already reported for individual metals. At natural conditions, since soil consists of more than one polluting metal, more focus has to be given to multimetal systems. In this study, multimetal accumulation potential was analyzed using central composite design, and the responses obtained were analyzed using response surface methodology. Heavy metals such as Cu(II), Cd(II), Cr(VI), Pb(II), and Zn(II) were subjected to biosorption at 10–250 mg/kg concentrations along with pH 5–8. The results showed that the preference of the organism for the five metals under study was in the order Pb(II) > Zn(II) > Cd(II) > Cu(II) > Cr(VI) at pH 6.5 under multimetal condition. The study also indicates that the metal interaction pattern in multimetal interaction is a property of their ionic radii. The response surface methodology clearly explains the effect of interaction of heavy metals on the accumulation potential of the organism using three-dimensional response plots. The present work suggests that the fungusGalerina vittiformiscould be employed as a low-cost metal removal agent from heavy metal–polluted soil. [ABSTRACT FROM PUBLISHER]

A set of 543 ionizable commercial organic compounds with various acid/base functionalities and experimental octanol-water partitioning coefficients (log Kow) were obtained from the Canadian Domestic Substances List. Corresponding pH-dependent octanol-water distribution coefficients (log Dow) and air-water partitioning coeffients (log Kaw,eff) were estimated using the SPARC software program, as were log Kow and log K°aw values for the neutral forms of each chemical. Significant ionization dependent effects on chemical screening results at various pH values were obtained using established criteria for bioaccumulation potential (BAP) in aquatic organisms, terrestrial animals, and humans, as well as for atmospheric long range transport potential (LRTP). Future modelling efforts for environmental and toxicological screening of commercial chemicals should therefore explicitly include the influence of ionization for both weak and strong organic acids and bases on bioavailability and air-water mobility within the respective regulatory frameworks. Functional group specific sorption of both ionizable and neutral compounds to particulate and dissolved inorganic and organic matter will also affect chemical screening results for BAP and LRTP. More complex sorption related modelling in various types of representative aquatic systems also appears necessary to achieve reliable chemical screening results for commercial organic compounds. [ABSTRACT FROM AUTHOR]

Abstract: Screening is widely used to prioritize chemicals according to their potential environmental hazard, as expressed in the attributes of persistence, bioaccumulation (B), toxicity and long range transport potential (LRTP). Many screening approaches for B and LRTP rely on the categorization of chemicals based on a comparison of their equilibrium partition coefficients between octanol and water (K OW), air and water (K AW) and octanol and air (K OA) with a threshold value. As experimental values of the properties are mostly unavailable for the large number of chemicals being screened, the use of quantitative structure–property relationships (QSPRs) and other computational chemistry methods becomes indispensable. Predictions by different methods often deviate considerably, and flawed predictions may lead to false positive/negative categorizations. We predicted the partitioning properties of 529 chemicals, culled from previous prioritization efforts, using the four prediction methods EPI Suite, SPARC, COSMOtherm, and ABSOLV. The four sets of predictions were used to screen the chemicals against various LRTP and B criteria. Screening results based on the four methods were consistent for only ∼70% of the chemicals. To further assess whether the means of estimating environmental phase partitioning has an impact, a subset of 110 chemicals was screened for elevated arctic contamination potential based on single-parameter and poly-parameter linear free energy relationships respectively. Different categorizations were observed for 5 out of 110 chemicals. Screening and categorization methods that rely on a decision whether a chemical''s predicted property falls on either side of a threshold are likely to lead to a significant number of false positive/negative outcomes. We therefore suggest that screening should rather be based on numerical hazard or risk estimates that acknowledge and explicitly take into account the uncertainties of predicted properties. [Copyright &y& Elsevier]

Various veterinary antibiotics (VAs) are used in large quantities as an essential component for intensive livestock farming, and can flow into the environment from various pollution sources. In this study, VAs in surface water and groundwater in the Gwangcheon stream watershed, an intensive livestock farming area in Korea, were analyzed using ultra-high-performance liquid chromatograph-quadrupole orbitrap high-resolution mass spectrometer with online solid phase extraction. Although the selected VAs are relatively mobile and have low K OW values it is significant to assess their fates and ecological risks in the environment. The concentration of VAs in the surface water was higher than that in groundwater by approximately 23-fold, indicating that the former were directly introduced from pollution sources such as livestock manure. An analysis of the correlation between livestock manure production and the residuals of VAs in the stream showed a high linearity (R2 > 0.70), confirming that livestock excreta significantly contributed to the VAs in the watershed. A combined evaluation of environmental behaviors and ecological risks of VAs was performed for the first time using persistence, bioaccumulation potential, and toxicity properties and risk quotient values of VAs. Trimethoprim showed persistence and a potential impact on the ecosystem. The cumulative risk quotient values at one sampling point exceeded 1 indicating that several VAs can cumulatively cause local risk. The risk assessment method considering pollution sources, different locations, and correlation analysis applied in this study will be useful in evaluating the impacts of trace pollutants in watersheds. [Display omitted] • Veterinary antibiotics (VAs) were much higher in surface water than in groundwater. • Residual VAs were strongly correlated with livestock manure production. • Persistence, bioaccumulation potential, and toxicity (PBT) properties were measured. • Using PBT properties and risk quotient VAs concurrently was thoroughly evaluated. • Risk due to the cumulative effects of VAs is higher than those of individual VAs. [ABSTRACT FROM AUTHOR]

The adverse effects of antibiotics residues on aquaculture ecosystems and humans raised increasing concerns globally. To assess the occurrence, human health risks, sources, and bioaccumulation potential of antibiotics in cultured freshwater products in Eastern China, 12 and 13 aquaculture ponds were selected in 2018 and 2019, respectively, both covering 8 aquatic species. Concentrations of 12 commonly-used antibiotics were measured in muscle tissue of aquaculture products, water, sediment, and suspended particles. At least two antibiotics were found simultaneously in all muscle tissue samples. The concentrations of most antibiotics in freshwater cultured products were at a medium or lower level in comparison with other studies in China and worldwide, but slightly higher than the concentrations in cultured marine products. The potential risks from the intake of these aquatic products were also evaluated. The results showed limited adverse effects due to the consumption of these products with an exception of fluoroquinolone antibiotics. The bioaccumulation potential from water varied widely in different collection years, but the bioaccumulation factor (BAF) values for antibiotics were all <50 L/kg. BSAF values of antibiotics were all far below 1, except for one site in Zhejiang province in 2018, indicating that the bioavailability from surface sediments was low, in a particular pond environment. The low repeatability of BAF and BSAF calculated in two years indicated a relatively unsteady status in terms of bioaccumulation potential of cultured freshwater ponds yearly. • Antibiotics in Eastern China culture pond water were at/below medium level global. • Hazard quotients of antibiotics were far below 1 except for Fluoroquinolones. • BAF of antibiotics varied but all below 50 L/kg. • BSAF of antibiotics were all far lower than 1 in most case. • Low two-year repeatability indicated an unsteady status of ponds yearly. [ABSTRACT FROM AUTHOR]

The bioaccumulation potential and toxic effects of engineered nanomaterials (ENMs) to earthworms are poorly understood. Two studies were conducted following OECD TG 222 on Eisenia fetida to assess the effects of CdTe QDs with different coatings and soil ageing respectively. Earthworms were exposed to carboxylate (COOH), ammonium (NH 4 +), or polyethylene glycol (PEG) coated CdTe QDs, or a micron scale (bulk) CdTe material, at nominal concentrations of 50, 500 and 2000 mg CdTe QD kg−1 dry weight (dw) for 28 days in Lufa 2.2 soil. In the fresh soil study, earthworms accumulated similar amounts of Cd and Te in the CdTe-bulk exposures, while the accumulation of Cd was higher than Te during the exposures to CdTe QDs. However, neither the total Cd, nor Te concentrations in the earthworms, were easily explained by the extractable metal fractions in the soil or particle dissolution. There were no effects on survival, but some retardation of growth was observed at the higher doses. Inhibition of Na+ / K+-ATPase activity with disturbances to tissue electrolytes, as well as tissue Cu and Mn were observed, but without depletion of total glutathione in the fresh soil experiment. Additionally, juvenile production was the most sensitive endpoint, with estimated nominal EC 50 of values >2000, 108, 65, 96 mg CdTe kg−1 for bulk, PEG-, COOH- and NH 4 +-coated CdTe QDs, respectively. In the aged soil study, the accumulation of Cd and Te was higher than in the fresh soil study in all CdTe QD exposures. Survival of the adult worms was reduced in the top CdTe–COOH and –NH 4 + QD exposures by 55 ± 5 and 60 ± 25%, respectively; and with decreases in growth. The nominal EC 50 values for juvenile production in the aged soil were 165, 88, 78 and 63 mg CdTe kg−1 for bulk, PEG-, COOH- and NH 4 +-coated CdTe QDs, respectively. In conclusion, exposure to nanoscale CdTe QDs, regardless of coating, caused more severe toxic effects that the CdTe bulk material and the toxicity increased after soil ageing. There were some coating-mediated effects, likely due to differences in the metal content and behaviour of the materials. Image 1 • There was a coating-mediated effect on metal accumulation and toxicity of CdTe QDs. • CdTe QDs were more hazardous than the nearest equivalent micron-sized material. • Toxicity was not explained by Cd dissolution or the extractable Cd from the soils. • Toxicity and reproductive effects on earthworms increased with ageing of the soil. • Cd and Te accumulation from CdTe QDs was higher in aged compared to fresh soil. [ABSTRACT FROM AUTHOR]