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As traditional per and polyfluoroalkyl substances (PFAS) are phased out, emerging PFAS are being developed and widely used. However, little is known about their properties, including persistence, bioaccumulation, and toxicity (PBT). Screening for emerging PFAS relies on available chemical inventory databases. Here, we compiled a database of emerging PFAS obtained from nontargeted analysis and assessed their PBT properties using machine learning models, including qualitative graph attention networks, Insubria PBT Index and quantitative EAS-E Suite, VEGA, and ProTox-II platforms. Totally 282 homologues (21.8% of emerging PFAS) were identified as PBT based on the combined qualitative and quantitative prediction, in which 140 homologues were detected in industrial and nonbiological/biological samples, belong to four categories, i.e. modifications of perfluoroalkyl carboxylic acids, perfluoroalkane sulfonamido substances, fluorotelomers and modifications of perfluoroalkyl sulfonic acids. Approximately 10.1% of prioritized emerging PFAS were matched to chemical vendors and 19.6% to patents. Aqueous film-forming foams and fluorochemical factories are the predominant sources for prioritized emerging PFAS. The database and screening results can update the assessment related to legislative bodies such as the US Toxic Substances Control Act and the Stockholm Convention. The combined qualitative and quantitative machine learning models can provide a methodological tool for prioritizing other emerging organic contaminants., 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 © 2023 Elsevier Ltd. All rights reserved.)

Xiangjiang (XJ) is a typical urban inland river that serves as a drinking water source, which may be affected by the currently used organochlorine pesticides (CUOCPs) originating from agricultural activities in the vicinity. On this basis, this study comprehensively explored the occurrence and distribution characteristics of CUOCPs in surface water and sediments under long-term precipitation and subsequent floods. Considering the low concentration of CUOCPs in water, a technique combining high-throughput organic analysis with high-volume solid phase extraction (High-throat/Hi-volume SPE) was introduced for effective analysis of CUCOPs. The results showed that the concentration of CUOCPs in the water and sediments of XJ ranged from 2.33 to 6.40 ng L -1 (average of 3.93 ± 1.15 ng L -1 ) and from 1.52 to 21.2 ng g -1 (average of 6.60 ± 4.31 ng g -1 dw), respectively. The distribution of CUOCPs in water was consistent throughout XJ, but that in sediments was not uniform, indicating a stronger impact of floods on water than on sediments. Water-sediment partition coefficients were generally >2 L g -1 , showing a tendency of CUOCP dominance in sediments. The results of principal component analysis and cluster analysis showed that the occurrence of CUOCPs is significantly affected by exogenous disturbance, which could be flood events; meanwhile, clusters of CUOCPs were found in both water and sediments in the source-limited middle reaches in urban areas. Redundancy analysis (RDA) showed that CUOCP occurrences were not positively correlated with nutrient elements (nitrogen and phosphorus), but related to pH and dissolved oxygen (DO), indicating complex sources., (Copyright © 2022 Elsevier Ltd. All rights reserved.)

Rapid urbanization created unique urban environment with a characteristic of dramatic modification of land cover, consequently causing profound perturbations in the transport and fate of pollutants in urban ecosystem. Taking a hyper-urbanization city (Shanghai) as an example to reveal the influence of urbanization development on pollutant footprint, this study reconstructed and compared historical evolutions of elemental carbon (EC) and polycyclic aromatic hydrocarbons (PAHs) based on two lake sediment cores (DSL: Dianshan Lake; LXL: Luxun Lake) from early- and newly-urbanized areas, respectively. Historical fluxes of EC and total PAH (Σ 16 PAHs) showed similar and sharply fluctuant increases occurring after the 1950s in the DSL core later than the LXL core after the 1900s. In modern times (after 2000), the mean fluxes of EC and Σ 16 PAHs in the LXL core were 2.68- and 1.38-fold greater than those in the DSL core, respectively, indicating the stronger influence from more intensive human activities and longer industrial history in early urbanized area. Based on the significant correlations among socioeconomic factors with EC and Σ 16 PAH fluxes, the extended STIRPAT (stochastic impacts by regression on population, affluence and technology) models were successfully constructed, revealing that significance of these driving factors were in the order of population > the proportion of heavy industry > coal consumption > gross domestic product (GDP) per capita > vehicle amount. In general, the obvious discrepancy in historical stage and intensity of sedimentary EC and PAH accumulations implied that some newly fast-developing cities still have a chance to adjust urban development strategy to avoid more serious pollution., (Copyright © 2018 Elsevier Ltd. All rights reserved.)

To explore the influence of rapid urbanization development on the accumulation of 16 priority PAHs in urban environment, thirty-three surface sediments from city lakes in different urbanized areas of Shanghai were collected to evaluate the occurrence characteristic and source apportionment of PAHs. The concentrations of Σ 16 PAHs in lake surface sediments ranged from 55.7 to 4928 ng g -1 with a mean value of 1131 ng g -1 (standard deviation, 1228 ng g -1 ), of which 4-, 5- and 6-ring PAHs were the dominant components. Spatial distribution of PAHs in lake surface sediments showed a significantly declining trend along with a decreasing urbanization gradient (one-way ANOVA, p < .05). Two hotspots of sediment PAHs were mainly distributed at highly urbanized areas with intensive population density and heavy traffic activities and at burgeoning industrial towns in the suburb. Source apportionment of total PAHs identified by a constrained positive matrix factorization model revealed that vehicle emission and combustion of coal, biomass and natural gas were the absolutely predominant sources, respectively accounting for 55.0% and 40.45% of total PAHs burden in lake sediments. Land use regression (LUR) models were successfully developed to evaluate spatial variation of PAHs contamination in urban sediments based on their significant correlations with residential land, commercial land, traffic variables, industrial sources, and population density. All PAH compounds showed strong associations with one or two source indicators (the traffic congestion index and the number of industrial sources), with the fitting R 2 varying from 0.529 to 0.984. Our findings suggest that energy consumption related to land use activities obviously promoted PAH accumulations in urban sediment environment during rapid development of urbanization and industrialization in Shanghai., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

Aquaculture is a booming industry in the world and China is the largest producer and exporter of aquatic products. To prevent and treat diseases occurred in aquaculture, antibiotics are widely applied. However, the information of antibiotics used in Chinese aquaculture is still limited. Based on peer-reviewed papers, documents, reports, and even farmer surveys, this review summarized antibiotics used in Chinese aquaculture. In 2014, more than 47.4 million tonnes of farmed aquatic products were produced in mainland China. The outputs in the east and south parts of China can reach as much as 600 times higher than those in the northwest areas, which is clearly separated by the "Hu Line" - a line that marks a striking difference in the distribution of population. A total of 20 antibiotics belonging to eight categories have been reported for use, mainly via oral administration. However, only 13 antibiotics have been authorized for application in Chinese aquaculture and 12 antibiotics used are not authorized. Totally, 234 cases on antibiotic residues in Chinese aquatic products were recorded, including 24 fish species, eight crustacean species, and four mollusk species. Thirty-two antibiotics have been detected in aquatic products; quinolones and sulfonamides were the dominated residual chemicals. For specific compound, ciprofloxacin, norfloxacin, and sulfisoxazole have the highest concentrations. Except for a few cases, all residual concentrations were lower than the maximum residue limits. Through the consumption of aquatic products tainted by antibiotics, humans may acquire adverse drug reactions or antibiotic-resistant bacteria. However, the risk of antimicrobial resistance in human body, when exposed to antibiotics at sub-inhibitory concentrations, has not been exhaustively considered in the risk assessment. In addition, a national comprehensive investigation on the amount of antibiotics used in Chinese aquaculture is still needed in future studies., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

Rapid industrialization and urbanization has caused large emission and potential contamination of mercury (Hg) in urban environment. However, little is known about the impact of socioeconomic factor on Hg accumulation in sediment. In the present study, historical record of anthropogenic Hg deposition of Shanghai was reconstructed by using three sediment cores from three park lakes (C1: Luxun Park; C2: Fuxing island Park; C3: Xinjiangwan Park). Meanwhile, the influence of socioeconomic factor to Hg emissions and sedimentary record was calculated based on an extended STIRPAT (stochastic impacts by regression on population, affluence and technology) model. The profiles of Hg levels and fluxes in the three sediment cores showed that Shanghai has recently undergone urbanization. The anthropogenic Hg fluxes exhibited fluctuant increases from ∼1900 to present and accelerated after the establishment of the People's Republic of China in 1949 and the implementation of reform and opening up policy in 1978. The mean flux ratios of Hg in post-2000 were 2.2, 12, and 2.7 in the C1, C2 and C3 cores, respectively. The extended STIRPAT model was constructed based on strong positive relationships between socioeconomic factors and Hg fluxes, revealing that the proportion of coal consumption, the urbanization rate, and the proportion of heavy industry were the three most important driving factors for Hg accumulations in urban sediment of Shanghai., (Copyright © 2016 Elsevier Ltd. All rights reserved.)

Aquaculture in mangrove wetlands has been developed rapidly, causing various environmental problems (e.g., antibiotic residue). In the present study, the levels and distributions of a well-known class of antibiotics (fluoroquinolones; FQs), including norfloxacin (NOR), ciprofloxacin (CIP), and enrofloxacin (ENR), were examined in sediment and mangrove plant (Aegiceras corniculatum) from a mangrove wetland in the Zhanjiang Mangrove National Nature Reserve, South China. NOR and CIP were detected in all sediment samples, with concentrations ranging from 4.3 to 64.2 ng/g and from 7.62 to 68.5 ng/g on a basis of dry weight (dw), respectively, whereas ENR was found with relatively lower frequency (<78%) and lower concentrations (<19.3 ng/g). Sediments in mangrove rhizosphere area contained considerably higher concentrations of all FQs (except for ENR). FQs were largely varied in mangrove plant tissues; NOR and ENR were not detected in leaf and root samples, respectively. CIP featured an increasing tendency from the root to the upper parts of plants, whereas a decreasing trend was found for NOR. Three bioconcentration factors (BCF s ) of FQs, including BCFs for roots (BCF r ), branches (BCF b ), and leaves (BCF l ) were calculated, and most of them exceeded 1. Especially for NOR, its BCF r can reach up to 9.9, indicating that Aegiceras corniculatum has a strong ability to accumulate FQs from sediment and/or surrounding environment. For NOR and CIP, strong positive relationships were observed between BCF r and concentrations in root, but no significant correlations were observed between BCF r and root lipid of mangrove plant. More studies are needed to investigate the uptake mechanism of antibiotics in mangrove plants., (Copyright © 2016 Elsevier Ltd. All rights reserved.)

Freely dissolved polycyclic aromatic hydrocarbons (PAHs) were monitored in seven inland lakes of Antarctica by a polyethylene (PE)-based passive sampling technique, with the objective of tracking human footprints. The measured concentrations of PAHs were in the range of 14-360 ng L(-1) with the highest values concentrated around the Russian Progress II Station, indicating the significance of human activities to the loading of PAHs in Antarctica. The concentrations of PAHs in the inland lakes were in the upper part of the PAHs levels in aquatic environments from remote and background regions across the globe. The composition profiles of PAHs indicated that PAHs in the inland lakes were derived mainly from local oil spills, which was corroborated by a large number of fuel spillage reports from ship and plane crash incidents in Antarctica during recent years. Clearly, local human activities, rather than long-range transport, are the dominant sources of PAH contamination to the inland lakes. Finally, the present study demonstrates the efficacy of PE-based passive samplers for investigating PAHs in the aquatic environment of Antarctica under complex field conditions., (Copyright © 2016 Elsevier Ltd. All rights reserved.)

Environmental risks of polybrominated diphenyl ethers (PBDEs) in sewage sludge are assessed based on the concentration by exhaustive extraction, which is a likely overestimation of the pool available to exposed organisms. This study evaluated the bioaccessibility of PBDEs in sewage sludge from Shanghai using a 3-compartment model and a 6-d Tenax extraction. The very slowly fraction contributed 56-88% of total PBDEs in spiked sludge, whereas the rapidly desorbing fraction contributed only 1.1-10%. For the same PBDE congener, the rapidly desorbing fractions for sewage sludge measured in the present study were lower than those for sediment. The bioaccessible concentrations of PBDEs were 2.3-56 ng/g dry weight in sewage sludge from Shanghai, which represented 5.2% of the concentration determined by exhaustive (Soxhlet) extraction. BDE-209 was the predominant congener in sludge, contributing to 63% of the total. Moreover, the Ratio between 6-h Tenax and Soxhlet concentrations (T/S Ratio, indicating bioaccessibility) was lower in sludge generated from industrial wastewater treatment compared to sludge from facilities that treated mostly domestic wastewater. The T/S Ratio of PBDE congeners was related to KOW, specifically as KOW increases, the T/S Ratio decreased. These results will improve understanding of the fate and potential toxicity of PBDEs during land and/or landfill application of sewage sludge., (Copyright © 2015 Elsevier Ltd. All rights reserved.)

This study evaluated the levels and spatial distribution of PBDEs in 9 typical offices in Shanghai, China through the sample analysis of air and settled dust (floor dust, desktop dust and dust in computer case). PBDEs in air ranged from 93 to 322 pg/m(3), while the PBDEs levels in dust varied from 247 to 3.3 × 10(4) ng/g. Spatial variability of PBDEs in office dust was evident and likely influenced by air exchange and the use of electronic devices. A significant positive linear correlation was observed between the power usage rate and PBDE levels in both office air (R(2) = 0.81) and settled dust (R(2) = 0.94). The PBDEs exposure via inhalation and dust ingestion were both analyzed to estimate the life-time cancer risk, which is 1.34 × 10(-22) to 7.16 × 10(-22), significantly lower than the threshold level (10(-6)). Non-cancer risk indicated by the hazard index (<1) is also low in current exposure conditions., (Copyright © 2014 Elsevier Ltd. All rights reserved.)

Little to no information exists for polybrominated diphenyl ethers (PBDEs) in marine mammals frequenting the highly urbanized southern California (USA) coast. Fourteen PBDE congeners were determined by GC-ECNI-MS in blubber of pinnipeds stranded locally between 1994 and 2006. Total PBDE concentrations (SigmaPBDE) in California sea lion (n = 63) ranged from 0.04 to 33.7 microg/g wet weight (mean: 5.24 microg/g). To our knowledge, these are the highest reported PBDE levels in marine mammals to date. By comparison, mean SigmaPBDE in Pacific harbor seals (n = 9) and northern elephant seals (n = 16) were 0.96 and 0.09 microg/g, respectively. PBDEs in adult males were higher than for adult females, however, no age class differences or temporal trends were observed. As the first PBDE data reported for marine mammals in this region, the elevated levels underscore the need for additional studies on the sources, temporal trends, and potential effects of PBDEs in highly urbanized coastal zones.

Fish tissues from different fishery types (freshwater farmed, seawater farmed and seawater wild) were analyzed for organochlorine pesticides (OCPs), with the aim to further our understanding of bioaccumulation, and reflect the state of different fishery environments. Significantly higher SigmaOCP levels were found in seawater farmed fish than others, and among three freshwater farmed species, the lowest levels occurred in filter-feeding fish (bighead carp). Liver contained the highest SigmaOCP levels, while no significant differences were found among other tissues. Among DDT components, p,p'-DDT was abundant in seawater fish, while for freshwater fish, p,p'-DDE was the predominant congeners, except for northern snakehead (34% for p,p'-DDE and 30% for p,p'-DDT). The new source of DDTs to freshwater fish ponds was partly attributed to dicofol, whereas sewage discharged from the Pearl River Delta and anti-fouling paint were likely the DDTs sources to seawater farmed fish.