Accurate prediction of parameters related to the environmental exposure of chemicals is crucial for the sound management of chemicals. However, the lack of large data sets for training models may result in poor prediction accuracy and robustness. Herein, integrated transfer learning (TL) and multitask learning (MTL) was proposed for constructing a graph neural network (GNN) model (abbreviated as TL-MTL-GNN model) using n-octanol/water partition coefficients as a source domain. The TL-MTL-GNN model was trained to predict three bioaccumulation parameters based on enlarged data sets that cover 2496 compounds with at least one bioaccumulation parameter. Results show that the TL-MTL-GNN model outperformed single-task GNN models with and without the TL, as well as conventional machine learning models trained with molecular descriptors or fingerprints. Applicability domains were characterized by a state-of-the-art structure-activity landscape-based (abbreviated as ADSAL) methodology. The TL-MTL-GNN model coupled with the optimal ADSAL was employed to predict bioaccumulation parameters for around 60,000 chemicals, with more than 13,000 compounds identified as bioaccumulative chemicals. The high predictive accuracy and robustness of the TL-MTL-GNN model demonstrate the feasibility of integrating the TL and MTL strategy in modeling small-sized data sets. The strategy holds significant potential for addressing small data challenges in modeling environmental chemicals.

The Yangtze finless porpoise (YFP, Neophocaena asiaeorientalis asiaeorientalis) is the only freshwater cetacean found in China. However, per- and polyfluoroalkyl substances (PFASs) risks in YFPs remain unclear. In this study, legacy PFASs, their precursors and alternatives, were determined in YFP muscles (n = 32), liver (n = 29), kidney (n = 24), skin (n = 5), and blubbers (n = 25) collected from Poyang Lake (PL) and Yangtze River (YR) between 2017 and 2023. Perfluorooctane sulfonic acid (PFOS) was the predominant PFAS in all YFP tissues, with a median hepatic concentration of 1700 ng/g wet weight, which is higher than that in other finless porpoises worldwide. PFOS, chlorinated polyfluorinated ether sulfonates (Cl-PFESAs), and perfluoroalkane sulfonamides concentrations in YFP livers from PL were significantly higher than those from YR (p < 0.05); however, the opposite was observed for hexafluoropropylene oxide acids. Biomagnification and trophic magnification factors (BMF and TMF, respectively) of most PFASs in the YFP food web were > 1. Perfluoroheptane sulfonic acid had the highest BMF value (99), followed by 6:2 Cl-PFESA (94) and PFOS (81). The TMFmuscle and TMFliver values of the total PFASs were 3.4 and 6.6, respectively, and were significantly positively correlated with the fluorinated carbon chain length (p < 0.01). In addition, up to 62 % of the hazard quotients for 6:2 Cl-PFESA were > 1, which was higher than that of PFOS (48 %), suggesting a high hepatotoxicity of 6:2 Cl-PFESA to YFPs. Bioaccumulation and biotoxicity of legacy and emerging alternatives in aquatic organisms continue to be a concern, especially for underscoring the vulnerability of the long-lived and endangered species.

The production for crude oil usually leads to contamination of the soil with trace metals and organic contaminants from spilled petroleum. Organic contaminants were generally paid more attention than trace metals in the oilfield pollution. Many studies have investigated the impacts of some petroleum hydrocarbon pollutants, however, the impacts and risk assessment of trace metals remain largely unexplored. Moreover, under some circumstances, the risks associated with trace metals are not necessarily lower than those associated with organic contaminants. This study aimed to investigate methods to evaluate the possible risks associated with 11 trace metals (Ti, Ba, Sr, Rb, V, Li, Mo, Co, Cs, Bi, and Tl) in soil and biota samples from the Shengli Oilfield using ICP-MS. The results showed that 11 trace metals in the surface soils exceeded the local background levels. The geo-accumulation index (Igeo) indicated that the soils had light-moderate to moderate contamination levels, with higher Igeo value of Ba, V, Li, Mo, Co, and Cs. The individual potential ecological risk indices ([Formula: see text]) demonstrated moderate Bi and Tl pollution in soils. Comparatively, the [Formula: see text] is recommended for the risk assessment of trace metals on the ecosystem around the oilfield area. Mo, Bi, and Sr easily accumulate in plants, as reflected by their bioaccumulation factor. Ti, Ba, V, Li, Co, Cs, Bi, and Tl exhibited considerable biomagnification, particularly in birds. In this study, trace metals showed considerable bioaccumulation and biomagnification, and the risks of these trace metals on the ecosystem around oilfield production area need more attention.

The atropisomeric enrichment of chiral polychlorinated biphenyls (PCBs) can trace the movement of PCBs through food webs, but it is a challenge to elucidate the prey uptake and stereoselective biotransformation of PCBs in different species. The present study investigated the concentrations and enantiomer fractions (EFs) of chiral PCBs in invertebrates, fishes, amphibians, and birds. Chiral PCB signature was estimated in total prey for different predators based on quantitative prey sources. The nonracemic PCBs in snakehead (Ophiocephalus argus) were mainly from prey. EFs of PCBs in amphibians and birds were mainly influenced by biotransformation, which showed enrichment of (+)-CBs 132 and 135/144 and different enantiomers of CBs 95 and 139/149. Biomagnification factors (BMFs) of chiral PCBs were higher than 1 for amphibians and passerine birds and lower than 1 for kingfisher (Alcedo atthis) and snakehead. BMFs were significantly correlated with EFs of chiral PCBs in predators and indicative of atropisomeric enrichment of PCBs across different species. Trophic magnification factors (TMFs) were higher in the riparian food web than in the aquatic food web because of the high metabolism capacity of chiral PCBs in aquatic predators. The results highlight the influences of species-specific prey sources and biotransformation on the trophic dynamics of chiral PCBs.

Although many attempts have been carried out to elaborate trophic magnification factor (TMF) and biomagnification factor (BMF), such as normalizing the concentration of pollutants and averaging diet sources, the uncertainty of the indexes still need to be improved to assess the bioaccumulation of pollutants. This study first suggests an improved BMF (i.e., BMF\') applied to mercury bioaccumulation in freshwater fish from four sites before and after rainfall. The diet source and TP of each fish were identified using nitrogen stable isotope of amino acids (δ15NAAs) combined with bulk carbon stable isotope (δ13C). The BMF\' was calculated normalizing with TP and diet contributions derived from MixSIAR. The BMF\' values (1.3-27.2 and 1.2-27.8), which are representative of the entire food web, were generally higher than TMF (1.5-13.9 and 1.5-14.5) for both total mercury and methyl mercury, respectively. The BMF\' implying actual mercury transfer pathway is more reliable index than relatively underestimated TMF for risk assessment. The ecological approach for BMF calculations provides novel insight into the behavior and trophic transfer of pollutants like mercury.

In order to understand the pollution status and trophic transfer of heavy metals across wetland food web organisms, four invertebrate species, six fish species, one snake species, and one bird species were collected from an abandoned e-waste site in South China for analysis of toxic elements (Ni, Zn, Cu, Cr, Cd, and Pb). The concentrations of Ni, Zn, Cu, Cr, Cd, and Pb were 0.16-15.6, 24.9-850, 1.49-645, 0.11-64.6, 0.01-4.53 and 0.41-40.4 mg/kg dry weight, respectively. The results demonstrated that the concentrations of six studied heavy metals decreased throughout the whole food web, but Cu and Zn concentrations increased along the bird and reptile food chains, respectively. The trophic transfer of metals for the key species should be of special attention, as the trophic biomagnification factor (TMF) in a food web may overlook the ecological risks of metals for certain species, especially those at high trophic levels. The estimated daily intake (EDI) and the target hazard quotient (THQ) results showed that Cu, Cd, and Pb posed the main risks on human health, especially through the consumption of snail and crab species.

Bioaccumulation through diet is the predominant source of metal(loid)s in fishes; however, the trophic transfer of metal(loid)s from the diet to aquatic organisms remains largely unclear. In this study, aquatic organisms and five potential food sources (leaf litter, coarse and fine particulate organic matter (CPOM and FPOM, respectively), epilithon and fish) were collected around the Shimen Realgar Mine of China. Stomach content analysis and stable nitrogen and carbon isotope analysis, combined with a new Bayesian mixing model (MixSIAR), were used to quantify diet compositions of aquatic organisms. The δ13C and δ15N values varied among fish sizes and sampling sites and were probably related to the diet shift of aquatic organisms. The MixSIAR modelling results showed that the aquatic organisms\' food sources were mainly composed of FPOM (9%-68%) and epilithon (15%-65%), with leaf litter, CPOM and fish accounting for smaller proportions (2%-30%). Concentrations ranged from 0.91 to 1298 mg/kg for As, 0.01-1.30 mg/kg for Cd, 0.12-37.79 mg/kg for Pb, 0.63-1158 mg/kg for Cr, 1.22-411 mg/kg for Cu, 0.82-1772 mg/kg for Mn, 0.31-542 mg/kg for Ni and 21.84-1414 mg/kg for Zn in all the collected samples, including the aquatic organisms and the relevant food sources. The metal(loid) concentrations in the CPOM, FPOM and epilithon were significantly higher than those in aquatic organisms and leaf litter. In addition, the biomagnification factors were all less than 1, indicating a biodilution from diet to freshwater organisms. The predominant As species were organic As in aquatic organisms, while inorganic As was common in their food sources, indicating that As biotransformation occurred within the freshwater food chain.

Biomagnification of persistent organic pollutants (POPs) in food webs has been studied for many years. However, the different processes and influencing factors in biomagnification of POPs in aquatic and terrestrial food webs still need clarification. Polychlorinated biphenyls (PCBs) and short-chain chlorinated paraffins (SCCPs) were measured in organisms from adjacent terrestrial and aquatic environment in this study. The median levels of PCBs in terrestrial and aquatic organisms were 21.7-138 ng/g lw and 37.1-149 ng/g lw, respectively. SCCP concentrations were 18.6-87.3 μg/g lw and 21.4-93.9 μg/g lw in terrestrial and aquatic organisms, respectively. Biomagnification factors (BMFs) of PCBs increased with higher log KOW in all food chains. BMFs of SCCPs were negatively correlated with log KOW in aquatic food chains, but positively correlated with log KOW in terrestrial food chains. The terrestrial food web had similar trophic magnification factors (TMFs) of PCBs, and higher TMFs of SCCPs than the aquatic food web. Biomagnification of PCBs was consistent in aquatic and terrestrial food webs, while SCCPs had higher biomagnification potential in terrestrial than aquatic organisms. The distinct biomagnification of SCCPs was affected by the respiratory elimination for terrestrial organisms, the different metabolism rates in various species, and more homotherms in terrestrial food webs. Fugacity model can well predict levels of less hydrophobic chemicals, and warrants more precise toxicokinetic data of SCCPs.

We investigated trophic dynamics of Hg in the polluted Baltic Archipelago Sea using established trophic magnification (TMFs) and biomagnification factors (BMFs) on a comprehensive set of bird, fish, and invertebrate species. As different ecological and ecophysiological species traits may affect trophic dynamics, we explored the effect of food chain (benthic, pelagic, benthopelagic) and thermoregulatory strategy on trophic total Hg (THg) dynamics, using different approaches to accommodate benthopelagic species and normalize for trophic position (TP). We observed TMFs and most BMFs greater than 1, indicating overall THg biomagnification. We found significantly higher pelagic TMFs (3.58-4.02) compared to benthic ones (2.11-2.34) when the homeotherm bird species were excluded from models, but not when included. This difference between the benthic and pelagic TMFs remained regardless of how the TP of benthopelagic species was modeled, or whether TMFs were normalized for TP or not. TP-corrected BMFs showed a larger range (0.44-508) compared to BMFs representing predator-prey concentration ratios (0.05-82.2). Overall, the present study shows the importance of including and evaluating the effect of ecological and ecophysiological traits when investigating trophic contaminant dynamics.

Fish are a powerful model for risk-benefit analyses to explore the impact of elements on human health among all accessible species. The sea bream (Sparus aurata), sea bass (Dicentrarchus labrax), turbot (Scophthalmus maximus), and weights of > 1 kg large rainbow trout registered as \"Turkish Salmon,\" (Oncorhynchus mykiss) are four economically important cultured species in the Black Sea In this research, it is aimed (1) to determine the value of the elements, (2) to determine total Hg and Se concentrations, Se/Hg molar ratios, and the HBVSe index, and (3) to calculate the consumer\'s possible health risk in the edible tissues of cultivated four economically important Black Sea fish species. Fish and diet samples from all species were obtained in 2020 from aquaculture locations in the Black Sea (Sinop, Samsun, and Trabzon cites of Turkey). At the end of the study, the elements in all edible tissues and all the parameters analyzed [Se/Hg, estimated daily intake (EDI), target hazard quotient (THQ), maximum allowable consumption rate (CRlim and CRmm)] in cultured fish tissues were below permissible values. Additionally, when compared with the data of the World Health Organization and The National Academy of Sciences, it determined that consuming cultured fish in the Black Sea adequately meets the daily elemental requirement.