Lili Shi

Pharmaceuticals and personal care products (PPCPs) are contaminants of emerging global concern, yet their long-term fate and distribution in strategic trans-boundary water source areas remain underexplored. This study conducted a comprehensive monitoring campaign spanning from 2018 to 2020, with six sampling campaigns carried out in August 2018, December 2018, May 2019, August 2019, December 2019, and May 2020, to investigate the occurrence, spatiotemporal dynamics, source apportionment, and ecological risks of 54 PPCPs in the surface water and sediments of the Taipu River in eastern China. Utilizing non-target screening via liquid chromatography high-resolution mass spectrometry (LC-HRMS), 54 PPCPs across 15 categories were detected, with average total concentrations of 28.60 ng/L in surface water and 13.01 ng/g in sediments. Sulfonamides, quinolones, and non-steroidal anti-inflammatory drugs (NSAIDs) dominated the aqueous phase (with bisphenol A and sulfamethoxazole highly prevalent), while hormones (e.g., estriol) and quinolones (e.g., ciprofloxacin (CIP)) exhibited significant accumulation in the benthic zone. Spatiotemporal analysis revealed a seasonal pattern where PPCP concentrations were higher in the dry season than in the wet season, primarily driven by hydrological dilution and climate-induced degradation. Furthermore, Positive Matrix Factorization (EPA PMF 5.0) extracted five distinct source factors for each matrix. Specifically, surface water pollution was primarily driven by domestic wastewater, municipal effluents, medical discharges, and localized pharmaceutical emissions, whereas sediments acted as a long-term sink predominantly for domestic wastewater, agricultural/veterinary runoff, and municipal/industrial emissions. Ecological risk assessment indicated that while most of the nine high-frequency contaminants posed low risks, specific compounds such as CIP, SM2, and E3 presented medium risks in surface water, whereas ENR, CIP, and SPI posed medium risks in sediments. These findings emphasize that the continuous multi-source input and the resulting pseudo-persistence of PPCPs in sediments warrant prioritized continuous attention and targeted pollution control strategies in the Taipu River Basin.

Pesticide manufacturing industry wastewater is a complex mixture of potentially harmful components. If not properly treated, discharged effluents may pose serious risks to environment and organisms. In this study, influent and effluent wastewater samples from a pesticide factory were comprehensively non-screened by liquid chromatography high-resolution mass spectrometry, coupled with zebrafish embryo toxicity testing to assess whole effluent toxicity. A total of eight chemical groups were identified, including pesticides, antibiotics, nitrogen compounds, ketones, esters, amines and derivatives, other drugs, and other organic compounds. While wastewater treatment processes reduced most of the analyzed groups of compounds, compounds (e.g., 2-aminophenol, N-Nitrosodipropylamine, and carbamazepine) increased during the treatments. The influent samples were more toxic to zebrafish than the effluent samples in terms of lethality, teratogenic effects, developmental impacts, locomotor behavior, and neurotoxicity. The results showed that locomotor behavior was the most sensitive phenotypic toxicity endpoint, with significantly higher sensitivity than traditional acute lethal or teratogenic endpoints. Through a multi-dimensional assessment approach combining chemical screening, literature-based, risk ranking, and targeted quantification, we identified three predominant pesticide residues in the wastewater samples (both influents and effluents): hexaconazole, fenobucarb and isoprocarb. All three compounds exhibited additive or synergistic toxicity in zebrafish embryos. Exposure to ≥0.08% influent or ≥2% effluent increased inflammation (interleukin-1 beta, IL-1β), oxidative stress (copper/zinc superoxide dismutase, Cu/Zn-Sod), apoptosis (tumor protein p53, p53), and significantly impaired neurodevelopment in zebrafish larvae by altering the expression of sonic hedgehog a (shha), synapsin IIa (syn2a), and glial fibrillary acidic protein (gfap). This study suggests the necessity of incorporating non-apical endpoint (locomotor behavior) into whole effluent toxicity test, as this approach is essential for reducing the environmental risks posed by pesticide factory wastewater.

Background: The present study aims to explore the relationship between perfluoroalkyl substances (PFAS) exposure and hyperlipidemia using data from the National Health and Nutrition Examination Survey. Methods: A total of 1600 subjects were included in the analysis, and nine kinds of PFAS were measured. Multivariate logistic regression analysis was performed to explore the association between serum PFAS and hyperlipidemia. Results: Compared with the lowest quartile of perfluoromethylheptane sulfonic acid isomers (Sm-PFOS), the percentage change for hyperlipidemia was 57% and 41% in the third and highest quartile of PFOS. The positive association between Sm-PFOS and hyperlipidemia remained significant in population younger than 60 years, and the odds ratio for hyperlipidemia in fourth quartile of Sm-PFOS was 1.81. Conclusions: These findings indicated that serum Sm-PFOS was independently associated with a higher risk for hyperlipidemia. The epidemiological study warrants further study to elucidate the causal relationship between them.

Currently, there is an urgent need to remediate heavy metals (HMs) and high alkalinity in the washing solution of fly ash (FA). This study investigated the remediation with simulated exhaust gases of two CO₂ partial pressure and revealed the removal efficiency of target pollutants, mainly including Pb ions. The results verify that under the preferred conditions of 25 °C and 15 mL/min flow rate, bubbling two kinds of simulated flue gases could efficiently remove 97.9–99.2% of Pb ions. Moreover, the initial 40 min removal of Pb ions fits in a way with a pseudo-first-order equation. Based on the thermodynamic parameters, we infer that the removal of Pb ions was a spontaneous, exothermic, and entropy-decreasing process. Furthermore, residual HMs and terminal pH after remediation of the FA washing solution basically met the regulatory threshold values of the integrated wastewater discharge standard in China (GB 8978−1996). Additionally, the particles obtained from the washing solution of FA were identified as CaCO₃, which was mainly composed of vaterite and calcite crystalline. This study provides a fundamental guide for remediating multiple pollutants in the washing solution of FA and simultaneously sequestrating carbon emissions from power plants and industries.

Emamectin benzoate (EMB) is a widely used pesticide and feed additive in agriculture and aquaculture. It easily enters the aquatic environment through various pathways, thus causing adverse effects on aquatic organisms. However, there are no systematic studies regarding the effects of EMB on the developmental neurotoxicity of aquatic organisms. Therefore, the aim of this study was to evaluate the neurotoxic effects and mechanisms of EMB at different concentrations (0.1, 0.25, 0.5, 1, 2, 4 and 8 μg/mL) using zebrafish as a model. The results showed that EMB significantly inhibited the hatching rate, spontaneous movement, body length, and swim bladder development of zebrafish embryos, as well as significantly increased the malformation rate of zebrafish larvae. In addition, EMB adversely affected the axon length of motor neurons in Tg (hb9: eGFP) zebrafish and central nervous system (CNS) neurons in Tg (HuC: eGFP) zebrafish and significantly inhibited the locomotor behavior of zebrafish larvae. Meanwhile, EMB induced oxidative damage and was accompanied by increasing reactive oxygen species in the brains of zebrafish larvae. In addition, gene expression involvement in oxidative stress-related (cat, sod and Cu/Zn-sod), GABA neural pathway-related (gat1, gabra1, gad1b, abat and glsa), neurodevelopmental-related (syn2a, gfap, elavl3, shha, gap43 and Nrd) and swim bladder development-related (foxa3, pbxla, mnx1, has2 and elovlla) genes was significantly affected by EMB exposure. In conclusion, our study shows that exposure to EMB during the early life stages of zebrafish significantly increases oxidative damage and inhibits early central neuronal development, motor neuron axon growth and swim bladder development, ultimately leading to neurobehavioral changes in juvenile zebrafish.

The removal, and its mechanism, of arsenate from aqueous solutions was investigated using Yunnan red soil. A series of adsorption experiments was designed to disclose the effect of key factors (soil types, soil/solution rates, initial arsenate concentrations, and shaking speeds) on the adsorption capacity of Yunnan red soil for arsenate. The soil/solution ratio was optimized as 0.05 g/100 mL to balance the adsorption capacity and removal efficiency. The optimal shaking speed (225 rpm) not only ensured enough contact frequency between the Yunnan red soil and the arsenate, but also reduced the mass transfer resistance. The results from applying an orthogonal array method showed that the most significant factor affecting arsenate removal efficiency was soil type, followed by the soil/solution ratio, contact time, and shaking speed. The IR spectra of the precipitates further confirmed that the metal arsenide was settled by the Yunnan red soil, indicating that the arsenate ion existed on the red soil surface in the form of protonated bidentate surface complexation of –FeO₂As(O)(OH)⁻ and FeO₂As(O)²⁻. These results indicate that Yunnan red soil is promising for the removal of arsenate from aqueous solutions; it may thus be suitable as a new adsorbent for arsenate removal during water treatment.

Lignin-carbohydrate complexes (LCCs) from different lignocellulosic biomass have shown biological qualities as antioxidant and immunostimulant. By contrast, the application of LCCs as protectant against neurotoxicity caused by different compounds is scarce. In this work, two kinds of LCCs with carbohydrate-rich and lignin-rich fractions were obtained from wheat stalk and used to protect against BPA-neurotoxicity in zebrafish. The results showed that BPA at a concentration of 500 µg/L results in neurotoxicity, including significant behavioral inhibition, and prevents the expression of central nervous system proteins in transgenic zebrafish models (Tg (HuC-GFP)). When the zebrafish was treated by LCCs, the reactive oxygen species of zebrafish decreased significantly with the change of antioxidant enzymes and lipid peroxidation, which was due to the LCCs’ ability to suppress the mRNA expression level of key genes related to nerves. This is essential in view of the neurotoxicity of BPA through oxidative stress. In addition, BPA exposure had negative effects on the exercise behavior, the catalase (CAT) and superoxide dismutase (SOD) activity, and the larval development and gene expression of zebrafish larvae, and LCC preparations could recover these negative effects by reducing oxidative stress. In zebrafish treated with BPA, carbohydrate-rich LCCs showed stronger antioxidant activity than lignin-rich LCCs, showing their potential as a neuroprotective agents.

Background: A number of predictive models for aquatic toxicity are available, however, the accuracy and extent of easy to use of these in silico tools in risk assessment still need further studied. This study evaluated the performance of seven in silico tools to daphnia and fish: ECOSAR, T.E.S.T., Danish QSAR Database, VEGA, KATE, Read Across and Trent Analysis. 37 Priority Controlled Chemicals in China (PCCs) and 92 New Chemicals (NCs) were used as validation dataset. Results: In the quantitative evaluation to PCCs with the criteria of 10-fold difference between experimental value and estimated value, the accuracies of VEGA is the highest among all of the models, both in prediction of daphnia and fish acute toxicity, with accuracies of 100% and 90% after considering AD, respectively. The performance of KATE, ECOSAR and T.E.S.T. is similar, with accuracies are slightly lower than VEGA. The accuracy of Danish Q.D. is the lowest among the above tools with which QSAR is the main mechanism. The performance of Read Across and Trent Analysis is lowest among all of the tested in silico tools. The predictive ability of models to NCs was lower than that of PCCs possibly because never appeared in training set of the models, and ECOSAR perform best than other in silico tools. Conclusion: QSAR based in silico tools had the greater prediction accuracy than category approach (Read Across and Trent Analysis) in predicting the acute toxicity of daphnia and fish. Category approach (Read Across and Trent Analysis) requires expert knowledge to be utilized effectively. ECOSAR performs well in both PCCs and NCs, and the application shoud be promoted in both risk assessment and priority activities. We suggest that distribution of multiple data and water solubility should be considered when developing in silico models. Both more intelligent in silico tools and testing are necessary to identify hazards of Chemicals.