Pub Date : 2025-12-16DOI: 10.1016/j.emcon.2025.100614
Yaxi Wang , Jie Pan , Quanyun Ye , Que Chen , Jiawu Hu , Jiayan Wu , Xiaoye Tang , Jianguo Yang , Dong Zeng , Wencheng Wu , Dechun He
The rapid expansion of intensive livestock farming has raised significant environmental concerns, particularly regarding the emerging issue of combined antibiotic-microplastic pollution. Nevertheless, systematic investigations into their co-occurrence and interactions within farming ecosystems remain limited. In this study, an integrated assessment of antibiotics and microplastics across four environmental matrices (feed, manure, soil, and sewage) from representative livestock farms in South China was conducted. Antibiotics were widely detected, exhibiting the highest concentrations in manure (427–57,217 ng/g; mean 14,406 ng/g) and sewage (58.9–78,346 ng/L; mean 18,151 ng/L). Sulfachloropyridazine (SCP) and tetracycline hydrochloride (TC) were identified as dominant compounds. Soil receiving livestock effluents exhibited antibiotic concentrations more than four times higher than control soil, confirming livestock activities as a major contamination source. Unexpectedly, microplastics were most abundant in feed (4896–25,223 particles/kg; mean 12,564 particles/kg), indicating it as a critical entry pathway into farming systems, with acrylate copolymer (ACR), polyethylene (PE), polyurethane (PU), and polyvinyl chloride (PVC) as the predominant polymers. These findings highlighted feed production, packaging, and storage as key stages contributing to microplastic contamination. Correlation analysis revealed a weak negative association (r = −0.46) between total antibiotics and microplastics, suggesting divergent environmental sources and fates. These findings elucidate critical pollution linkages across the livestock farming chain, providing essential evidence for developing targeted strategies to control co-contamination by antibiotics and microplastics.
{"title":"Combined pollution of antibiotics and microplastics in livestock breeding process: Occurrence and correlation","authors":"Yaxi Wang , Jie Pan , Quanyun Ye , Que Chen , Jiawu Hu , Jiayan Wu , Xiaoye Tang , Jianguo Yang , Dong Zeng , Wencheng Wu , Dechun He","doi":"10.1016/j.emcon.2025.100614","DOIUrl":"10.1016/j.emcon.2025.100614","url":null,"abstract":"<div><div>The rapid expansion of intensive livestock farming has raised significant environmental concerns, particularly regarding the emerging issue of combined antibiotic-microplastic pollution. Nevertheless, systematic investigations into their co-occurrence and interactions within farming ecosystems remain limited. In this study, an integrated assessment of antibiotics and microplastics across four environmental matrices (feed, manure, soil, and sewage) from representative livestock farms in South China was conducted. Antibiotics were widely detected, exhibiting the highest concentrations in manure (427–57,217 ng/g; mean 14,406 ng/g) and sewage (58.9–78,346 ng/L; mean 18,151 ng/L). Sulfachloropyridazine (SCP) and tetracycline hydrochloride (TC) were identified as dominant compounds. Soil receiving livestock effluents exhibited antibiotic concentrations more than four times higher than control soil, confirming livestock activities as a major contamination source. Unexpectedly, microplastics were most abundant in feed (4896–25,223 particles/kg; mean 12,564 particles/kg), indicating it as a critical entry pathway into farming systems, with acrylate copolymer (ACR), polyethylene (PE), polyurethane (PU), and polyvinyl chloride (PVC) as the predominant polymers. These findings highlighted feed production, packaging, and storage as key stages contributing to microplastic contamination. Correlation analysis revealed a weak negative association (r = −0.46) between total antibiotics and microplastics, suggesting divergent environmental sources and fates. These findings elucidate critical pollution linkages across the livestock farming chain, providing essential evidence for developing targeted strategies to control co-contamination by antibiotics and microplastics.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100614"},"PeriodicalIF":6.9,"publicationDate":"2025-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836826","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.emcon.2025.100612
Yutian Miao , Linlin Zhang , Jianwen Huang , Jinglong Li , Zikang He , Zhihong Li , Jun Qin , Tianji Lin , Yijian Yang , Sili Jiang , Li Bu , Jie Shi , Yan Wu , Di Cui , Bo Zhou , Yuling Chen , Zhoubin Zhang , Xiqing Li , Jianfa Gao
Wastewater-based epidemiology (WBE) has been used for the monitoring of substance consumption for more than a decade. It enhanced the understanding of temporal and spatial variations of substance consumption in the population which is useful for the development of public health strategies. However, the limited number of samples analysed compromised the representativeness and statistical power of patterns observed in previous studies. This study analysed 23 antibiotics in wastewater samples collected weekly from 18 treatment plants across Guangzhou for a year. Results indicated that 10 antibiotics were quantified in more than half of the samples collected. Concentration ranged from several ng/L to several μg/L for different analytes. Some antibiotics had higher consumption in the urban population than in the suburban population except sulfapyridine, sulfamethazine and trimethoprim. Lincomycin, sulfadiazine had large intra-city variations with much higher mass loads in certain WWTPs. Sulfamethoxazole had higher consumption in cooler months, while clindamycin and clarithromycin had lower consumption during the same period. Bi-monthly sampling of the 8 largest WWTPs or one sample per season from the 12 largest WWTPs can achieve a relatively accurate estimation of annual consumption with a restricted budget. Suburban catchments have a limited impact on the overall annual consumption in the whole city, but should be considered for health equity. By integrating the routine WBE monitoring results and prescription/sales statistics, better management of antibiotic consumption can be achieved.
{"title":"High temporal-spatial resolution profiling of antibiotic consumption in Guangzhou revealed by wastewater-based epidemiology and evaluation of uncertainties for different sampling strategies","authors":"Yutian Miao , Linlin Zhang , Jianwen Huang , Jinglong Li , Zikang He , Zhihong Li , Jun Qin , Tianji Lin , Yijian Yang , Sili Jiang , Li Bu , Jie Shi , Yan Wu , Di Cui , Bo Zhou , Yuling Chen , Zhoubin Zhang , Xiqing Li , Jianfa Gao","doi":"10.1016/j.emcon.2025.100612","DOIUrl":"10.1016/j.emcon.2025.100612","url":null,"abstract":"<div><div>Wastewater-based epidemiology (WBE) has been used for the monitoring of substance consumption for more than a decade. It enhanced the understanding of temporal and spatial variations of substance consumption in the population which is useful for the development of public health strategies. However, the limited number of samples analysed compromised the representativeness and statistical power of patterns observed in previous studies. This study analysed 23 antibiotics in wastewater samples collected weekly from 18 treatment plants across Guangzhou for a year. Results indicated that 10 antibiotics were quantified in more than half of the samples collected. Concentration ranged from several ng/L to several μg/L for different analytes. Some antibiotics had higher consumption in the urban population than in the suburban population except sulfapyridine, sulfamethazine and trimethoprim. Lincomycin, sulfadiazine had large intra-city variations with much higher mass loads in certain WWTPs. Sulfamethoxazole had higher consumption in cooler months, while clindamycin and clarithromycin had lower consumption during the same period. Bi-monthly sampling of the 8 largest WWTPs or one sample per season from the 12 largest WWTPs can achieve a relatively accurate estimation of annual consumption with a restricted budget. Suburban catchments have a limited impact on the overall annual consumption in the whole city, but should be considered for health equity. By integrating the routine WBE monitoring results and prescription/sales statistics, better management of antibiotic consumption can be achieved.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100612"},"PeriodicalIF":6.9,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145836834","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-15DOI: 10.1016/j.emcon.2025.100613
Meng-Meng Lei , Xiao-Yun Gu , Zhi-Wei Gan , Xin-Yu Liu , Dan Luo , Xin-Tong Ye , Xu-Yang Lu , Chen Liu
Antiparasitic drugs are widely-used in livestock and human parasitic disease control, however, current research lacks solid evidence on their presence and environmental impact, particularly in the high-altitude pastoral areas of the Qinghai-Xizang Plateau. This study investigated occurrence and distribution of 17 target compounds in the Lhasa River, Xizang, China. The results showed that antiparasitic drugs were 80 %–100 % detected in both river water and sediments (except morantel (MOR) and pyrantel (PYR) in wet season), and benzimidazoles and macrocylic lactones constituted the major groups. The total concentrations reached up to 280.00 ng L−1 in surface water and 662.19 ng g−1 in sediments, respectively, with detection rates and average concentrations relatively higher than existing reports. The concentrations for both water and sediments in wet season were significantly higher than that in dry season (p < 0.01) and spatial distribution followed a trend of downstream > upstream > midstream, being closely related to land use, grazing and population distribution in the watershed. The livestock feces from summer grazing served as the primary non-point source of contamination in the upstream, while combined sources of agriculture and domestic sewage contributed to the highest levels in the downstream. Antiparasitic drugs are easily adsorbed and their water-sediment partition was mainly correlated with sediment organic carbon (R2 = 0.84). Exposure of most compounds to water flea is at high risk in wet season, with macrocylic lactones posing the highest toxicity. This study provided fundamental data on antiparasitic drugs presence in riverine environment of typical pastoral areas and gained insights for future control strategies.
抗寄生虫药物广泛应用于家畜和人类寄生虫病的防治，但目前的研究缺乏可靠的证据证明其存在及其对环境的影响，特别是在青藏高原高海拔牧区。研究了17种目标化合物在西藏拉萨河流域的发生和分布。结果表明：河流水体和沉积物中抗寄生虫药物的检出率均为80% ~ 100%（除湿季的莫兰特尔（MOR）和吡喃特尔（PYR）外），以苯并咪唑类和大环内酯类为主；地表水和沉积物中总浓度分别高达280.00 ng L−1和662.19 ng g−1，检出率和平均浓度均高于已有报道。丰水期水和沉积物浓度均显著高于枯水期（p < 0.01），空间分布呈“下游+上游+中游”趋势，与流域土地利用、放牧和人口分布密切相关。上游非点源污染以夏季放牧牲畜粪便为主，下游污染以农业和生活污水为主。抗寄生虫药物易吸附，其水沙分配主要与沉积物有机碳相关（R2 = 0.84）。大多数化合物在潮湿季节暴露于水蚤的风险较高，其中大环内酯具有最高的毒性。本研究为典型牧区河流环境中抗寄生虫药物的存在提供了基础数据，并为今后的防治策略提供了参考。
{"title":"Occurrence and ecological risk of antiparasitic drugs in the Lhasa River on Qinghai-Xizang Plateau","authors":"Meng-Meng Lei , Xiao-Yun Gu , Zhi-Wei Gan , Xin-Yu Liu , Dan Luo , Xin-Tong Ye , Xu-Yang Lu , Chen Liu","doi":"10.1016/j.emcon.2025.100613","DOIUrl":"10.1016/j.emcon.2025.100613","url":null,"abstract":"<div><div>Antiparasitic drugs are widely-used in livestock and human parasitic disease control, however, current research lacks solid evidence on their presence and environmental impact, particularly in the high-altitude pastoral areas of the Qinghai-Xizang Plateau. This study investigated occurrence and distribution of 17 target compounds in the Lhasa River, Xizang, China. The results showed that antiparasitic drugs were 80 %–100 % detected in both river water and sediments (except morantel (MOR) and pyrantel (PYR) in wet season), and benzimidazoles and macrocylic lactones constituted the major groups. The total concentrations reached up to 280.00 ng L<sup>−1</sup> in surface water and 662.19 ng g<sup>−1</sup> in sediments, respectively, with detection rates and average concentrations relatively higher than existing reports. The concentrations for both water and sediments in wet season were significantly higher than that in dry season (p < 0.01) and spatial distribution followed a trend of downstream > upstream > midstream, being closely related to land use, grazing and population distribution in the watershed. The livestock feces from summer grazing served as the primary non-point source of contamination in the upstream, while combined sources of agriculture and domestic sewage contributed to the highest levels in the downstream. Antiparasitic drugs are easily adsorbed and their water-sediment partition was mainly correlated with sediment organic carbon (R<sup>2</sup> = 0.84). Exposure of most compounds to water flea is at high risk in wet season, with macrocylic lactones posing the highest toxicity. This study provided fundamental data on antiparasitic drugs presence in riverine environment of typical pastoral areas and gained insights for future control strategies.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100613"},"PeriodicalIF":6.9,"publicationDate":"2025-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145786504","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-12-08DOI: 10.1016/j.emcon.2025.100611
Shuqin Tang , Ning Zhang , Hongli Tan , Da Chen
Quaternary ammonium compounds (QACs) are widely used in cleaning and disinfectant products, and their extensive use since the COVID-19 pandemic has raised increasing concerns about the potential health effects. However, exposure to QACs in different indoor environments remains insufficiently characterized. In this study, 18 QACs were determined in house dust (n = 45) and automotive cabin air filter (ACAF) dust (n = 50) from South China. The median ∑QAC concentrations were 6968 and 7982 ng/g in house and ACAF dust, respectively. Alkyltrimethylammonium compounds (ATMACs) predominated, comprising 51.5% in house dust and 65.0% in ACAF dust, with median concentrations of 3298 and 5600 ng/g, respectively. Dwelling factors did not significantly affect QAC concentrations in house dust, whereas in ACAF dust, benzyldimethyldecylammonium chloride (C10-BAC) decreased with mileage, and C10-BAC and benzyldimethyloctylammonium chloride (C8-BAC) varied with vehicle manufacturers. Toddlers exhibited higher estimated daily intakes of QAC (median: 124 ng/kg bw/day) than adults (4.02 ng/kg bw/day) under high exposure scenarios. Although the estimated health risks of QACs in this study were relatively low, ACAF dust showed comparable ∑QAC concentrations with house dust and demonstrated its value as a passive sampling matrix for assessing long-term accumulation and human exposure in vehicle environments.
{"title":"Quaternary ammonium compounds in house and automotive cabin air filter dust from South China: Occurrence and exposure insights","authors":"Shuqin Tang , Ning Zhang , Hongli Tan , Da Chen","doi":"10.1016/j.emcon.2025.100611","DOIUrl":"10.1016/j.emcon.2025.100611","url":null,"abstract":"<div><div>Quaternary ammonium compounds (QACs) are widely used in cleaning and disinfectant products, and their extensive use since the COVID-19 pandemic has raised increasing concerns about the potential health effects. However, exposure to QACs in different indoor environments remains insufficiently characterized. In this study, 18 QACs were determined in house dust (n = 45) and automotive cabin air filter (ACAF) dust (n = 50) from South China. The median ∑QAC concentrations were 6968 and 7982 ng/g in house and ACAF dust, respectively. Alkyltrimethylammonium compounds (ATMACs) predominated, comprising 51.5% in house dust and 65.0% in ACAF dust, with median concentrations of 3298 and 5600 ng/g, respectively. Dwelling factors did not significantly affect QAC concentrations in house dust, whereas in ACAF dust, benzyldimethyldecylammonium chloride (C10-BAC) decreased with mileage, and C10-BAC and benzyldimethyloctylammonium chloride (C8-BAC) varied with vehicle manufacturers. Toddlers exhibited higher estimated daily intakes of QAC (median: 124 ng/kg bw/day) than adults (4.02 ng/kg bw/day) under high exposure scenarios. Although the estimated health risks of QACs in this study were relatively low, ACAF dust showed comparable ∑QAC concentrations with house dust and demonstrated its value as a passive sampling matrix for assessing long-term accumulation and human exposure in vehicle environments.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100611"},"PeriodicalIF":6.9,"publicationDate":"2025-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145880555","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-25DOI: 10.1016/j.emcon.2025.100600
Oyedolapo Bamigboye , Moses O. Alfred , Ephraim Akor , Zamani S. Ncanana , Chidinma G. Olorunnisola , Titus A.M. Msagati , Martins O. Omorogie , Nurudeen A. Oladoja , Emmanuel I. Unuabonah
Di(2-ethylhexyl) phthalate (DEHP), a carcinogenic compound commonly associated with airborne particulates in indoor aerosols, constituents a serious health hazard. In university environments, where air conditioning (AC) systems are widely used, DEHP and other pollutants can accumulate in AC filters and get recirculated during operation, thereby increasing the exposure levels. Therefore, aerosol samples were collected from the AC air filters to assess indoor air quality and evaluate DEHP exposure among students and staff in various micro-environments (143 spaces) across nine universities in southwestern Nigeria. The highest DEHP concentrations, 40.32 μg/g and 38.95 μg/g, were recorded in the office spaces from two different nearby universities, reflecting the influence of human activity and indoor sources. Newer buildings exhibited elevated DEHP levels, likely due to emissions from construction and furnishing materials. Medical centers with better ventilation showed the lowest concentrations, revealing the importance of air exchange in contaminant reduction. Statistical analysis revealed strong correlations between DEHP concentrations in offices and laboratories. Additionally, cancer risk assessments revealed higher values in densely populated environments. Among the different exposure routes, the hazard quotient for dermal absorption indicated the highest risk.
{"title":"Exposure analysis and human health risk of Di(2-ethylhexyl) phthalate (DEHP) across Southwest Nigerian Universities","authors":"Oyedolapo Bamigboye , Moses O. Alfred , Ephraim Akor , Zamani S. Ncanana , Chidinma G. Olorunnisola , Titus A.M. Msagati , Martins O. Omorogie , Nurudeen A. Oladoja , Emmanuel I. Unuabonah","doi":"10.1016/j.emcon.2025.100600","DOIUrl":"10.1016/j.emcon.2025.100600","url":null,"abstract":"<div><div>Di(2-ethylhexyl) phthalate (DEHP), a carcinogenic compound commonly associated with airborne particulates in indoor aerosols, constituents a serious health hazard. In university environments, where air conditioning (AC) systems are widely used, DEHP and other pollutants can accumulate in AC filters and get recirculated during operation, thereby increasing the exposure levels. Therefore, aerosol samples were collected from the AC air filters to assess indoor air quality and evaluate DEHP exposure among students and staff in various micro-environments (143 spaces) across nine universities in southwestern Nigeria. The highest DEHP concentrations, 40.32 μg/g and 38.95 μg/g, were recorded in the office spaces from two different nearby universities, reflecting the influence of human activity and indoor sources. Newer buildings exhibited elevated DEHP levels, likely due to emissions from construction and furnishing materials. Medical centers with better ventilation showed the lowest concentrations, revealing the importance of air exchange in contaminant reduction. Statistical analysis revealed strong correlations between DEHP concentrations in offices and laboratories. Additionally, cancer risk assessments revealed higher values in densely populated environments. Among the different exposure routes, the hazard quotient for dermal absorption indicated the highest risk.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100600"},"PeriodicalIF":6.9,"publicationDate":"2025-11-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145681961","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Organophosphorus insecticides (OPIs) pose escalating environmental and health threats due to toxicity. To address limitations of traditional methods relying on lab trials, in this study, quantitative structure-activity relationship (QSAR) models were developed to predict toxicity of OPIs to Photobacterium phosphoreum by machine learning in seven dimensions based on a small dataset. Filtering QSAR variables by feature descriptors could simplify and enhance their ability to capture the correlation between OPIs structure and toxicity. Ensemble prediction and Leave-One-Out Cross-Validation ensure model robustness and prevent overfitting. Results indicate that the best model was determined to be the ensemble model (R2 = 0.961, RMSE = 0.184, MAE = 0.156). Interpretable analyses of the model revealed that charge balance and electrophilic potential points are key determinants of the toxicity of OPIs. Combined with structural fragmentation analysis, replacing chlorophenyl with fluorophenyl, sulfur with oxygen, and long alkyl chains with short alkyl chains can mitigate OPIs toxicity. This work contributes to providing reference information for the design of green OPIs, which is conducive to the application of computational toxicology in practical engineering.
有机磷杀虫剂因其毒性对环境和健康构成日益严重的威胁。为了解决依赖实验室试验的传统方法的局限性，本研究基于小数据集，开发了定量构效关系（QSAR）模型，通过机器学习在七个维度上预测OPIs对磷光细菌的毒性。通过特征描述符对QSAR变量进行过滤，可以简化并增强其捕获opi结构与毒性之间相关性的能力。集成预测和留一交叉验证确保模型稳健性和防止过拟合。结果表明，最佳模型为集合模型（R2 = 0.961, RMSE = 0.184, MAE = 0.156）。可解释的模型分析表明，电荷平衡和亲电电位点是OPIs毒性的关键决定因素。结合结构碎片化分析，以氟苯取代氯苯，以氧取代硫，以短烷基取代长烷基链可以减轻OPIs的毒性。本工作有助于为绿色opi的设计提供参考信息，有利于计算毒理学在实际工程中的应用。
{"title":"Insight into machine learning models to predict toxicity of organophosphorus insecticides to Photobacterium phosphoreum based on a small dataset","authors":"Yongqiang Yang, Yuying Dong, Huanbo Ni, Ruiyan Bi, Huixin Luo, Xuejun Zou","doi":"10.1016/j.emcon.2025.100599","DOIUrl":"10.1016/j.emcon.2025.100599","url":null,"abstract":"<div><div>Organophosphorus insecticides (OPIs) pose escalating environmental and health threats due to toxicity. To address limitations of traditional methods relying on lab trials, in this study, quantitative structure-activity relationship (QSAR) models were developed to predict toxicity of OPIs to <em>Photobacterium phosphoreum</em> by machine learning in seven dimensions based on a small dataset. Filtering QSAR variables by feature descriptors could simplify and enhance their ability to capture the correlation between OPIs structure and toxicity. Ensemble prediction and Leave-One-Out Cross-Validation ensure model robustness and prevent overfitting. Results indicate that the best model was determined to be the ensemble model (R<sup>2</sup> = 0.961, RMSE = 0.184, MAE = 0.156). Interpretable analyses of the model revealed that charge balance and electrophilic potential points are key determinants of the toxicity of OPIs. Combined with structural fragmentation analysis, replacing chlorophenyl with fluorophenyl, sulfur with oxygen, and long alkyl chains with short alkyl chains can mitigate OPIs toxicity. This work contributes to providing reference information for the design of green OPIs, which is conducive to the application of computational toxicology in practical engineering.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100599"},"PeriodicalIF":6.9,"publicationDate":"2025-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145615571","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pendimethalin (PND) belongs to the dinitroaniline family of herbicides and is commonly used to control broadleaf weeds, but its persistence in the environment and potential toxicity have become a growing concern. This study investigated the sublethal effects of PND on early development of zebrafish. Three sublethal concentrations (0.2, 1, and 2 μM) were administered to early-life stages in a semi-static system for 120 h post-fertilization (hpf). Internal concentrations were measured via UHPLC-HRMS, showing significant bioaccumulation (up to 1.17 mM at 1 μM). Morphometric analysis at 120 hpf revealed reduced body length, eye area, and swim bladder size, especially at higher concentrations. Behavioral assays indicated impaired locomotor activity, with reduced swimming distance, duration, and velocity in visual motor response (VMR) tests. Electrophysiological recordings of local field potentials (LFPs) in the forebrain revealed seizure-like activity, marked by increased event duration and power. These findings highlight PND's potential developmental and neurotoxic effects in aquatic vertebrates and raise concerns about its broader ecological and human health implications due to bioaccumulation and environmental persistence.
戊二甲基灵（PND）属于二硝基苯胺类除草剂，常用于防治阔叶杂草，但其在环境中的持久性和潜在毒性日益受到人们的关注。本研究探讨了PND对斑马鱼早期发育的亚致死效应。在半静态系统中给药3种亚致死浓度（0.2 μM， 1 μM和2 μM），使其在受精后120 h （hpf）。内部浓度通过UHPLC-HRMS测定，显示出显著的生物积累（在1 μM处高达1.17 mM）。在120 hpf下的形态计量学分析显示体长、眼睛面积和鱼鳔大小减少，特别是在高浓度下。行为分析显示运动活动受损，在视觉运动反应（VMR）测试中游泳距离、持续时间和速度减少。前脑局部场电位（LFPs）的电生理记录显示癫痫样活动，其特征是事件持续时间和功率增加。这些发现强调了PND对水生脊椎动物的潜在发育和神经毒性作用，并引起了人们对其由于生物积累和环境持久性而产生的更广泛的生态和人类健康影响的关注。
{"title":"Developmental and neural toxicity of the dinitroaniline herbicide pendimethalin in zebrafish early-life stages","authors":"Rosario Licitra , Sara Bernardi , Rachele Rocchi , Rossana Scarpone , Giampiero Scortichini , Sabrina V.P. Defourny , Filippo M. Santorelli , Carmine Merola , Giulia Caioni , Maria Marchese","doi":"10.1016/j.emcon.2025.100597","DOIUrl":"10.1016/j.emcon.2025.100597","url":null,"abstract":"<div><div>Pendimethalin (PND) belongs to the dinitroaniline family of herbicides and is commonly used to control broadleaf weeds, but its persistence in the environment and potential toxicity have become a growing concern. This study investigated the sublethal effects of PND on early development of zebrafish. Three sublethal concentrations (0.2, 1, and 2 μM) were administered to early-life stages in a semi-static system for 120 h post-fertilization (hpf). Internal concentrations were measured via UHPLC-HRMS, showing significant bioaccumulation (up to 1.17 mM at 1 μM). Morphometric analysis at 120 hpf revealed reduced body length, eye area, and swim bladder size, especially at higher concentrations. Behavioral assays indicated impaired locomotor activity, with reduced swimming distance, duration, and velocity in visual motor response (VMR) tests. Electrophysiological recordings of local field potentials (LFPs) in the forebrain revealed seizure-like activity, marked by increased event duration and power. These findings highlight PND's potential developmental and neurotoxic effects in aquatic vertebrates and raise concerns about its broader ecological and human health implications due to bioaccumulation and environmental persistence.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100597"},"PeriodicalIF":6.9,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570239","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-12DOI: 10.1016/j.emcon.2025.100598
Pengcheng Yao , Hui Wu , Aiju You , Ziming Wang , Wei Wang
Conventional wastewater treatment processes struggle to effectively degrade antibiotics due to their low concentration, high toxicity and poor degradability. Significant concentration of antibiotic drugs and intermediates persist in discharged effluent, posing serious threats to human health and aquatic ecosystem safety. Manganese-based activated carbon (MnOx-GAC) and molecular imprinting (MIP) were synthesized in 70 °C to form MnOx-GAC/MIP at 2 mmol methacrylic acid, 3.35 mmol sulfapyridine(SPY) and 10 mmol EDGMA, promoting selectively recognize and target catalytic degradation of SPY. Compared with non-targeted catalysts, the targeted catalytic ability of the MnOx-GAC/MIP by the hydrothermal method for SPY was enhanced by 2.7 times at 0.24 g/L MnOx-GAC/MIP, 6 mg/L PDS and initial pH 3. In the MnOx-GAC/MIP-PDS system, the SPY degradation mainly proceeds via the chemical bond breakage, followed by its methylation. The second-order rates of •OH (4.75 × 1010 M−1s−1) and SO4•- (1.30 × 1010 M−1s−1) reacting with SPY clarified •OH reacted with SPY faster than SO4•-. The proposal of targeted degradation methods would facilitate the efficient degradation of trace antibiotics.
{"title":"Accurate recognition and catalysis of sulfapyridine by MnOx-GAC molecularly imprinted: Kinetics, mechanism and degradation pathways","authors":"Pengcheng Yao , Hui Wu , Aiju You , Ziming Wang , Wei Wang","doi":"10.1016/j.emcon.2025.100598","DOIUrl":"10.1016/j.emcon.2025.100598","url":null,"abstract":"<div><div>Conventional wastewater treatment processes struggle to effectively degrade antibiotics due to their low concentration, high toxicity and poor degradability. Significant concentration of antibiotic drugs and intermediates persist in discharged effluent, posing serious threats to human health and aquatic ecosystem safety. Manganese-based activated carbon (MnOx-GAC) and molecular imprinting (MIP) were synthesized in 70 °C to form MnOx-GAC/MIP at 2 mmol methacrylic acid, 3.35 mmol sulfapyridine(SPY) and 10 mmol EDGMA, promoting selectively recognize and target catalytic degradation of SPY. Compared with non-targeted catalysts, the targeted catalytic ability of the MnOx-GAC/MIP by the hydrothermal method for SPY was enhanced by 2.7 times at 0.24 g/L MnOx-GAC/MIP, 6 mg/L PDS and initial pH 3. In the MnOx-GAC/MIP-PDS system, the SPY degradation mainly proceeds via the chemical bond breakage, followed by its methylation. The second-order rates of <sup>•</sup>OH (4.75 × 10<sup>10</sup> M<sup>−1</sup>s<sup>−1</sup>) and SO<sub>4</sub><sup>•-</sup> (1.30 × 10<sup>10</sup> M<sup>−1</sup>s<sup>−1</sup>) reacting with SPY clarified <sup>•</sup>OH reacted with SPY faster than SO<sub>4</sub><sup>•-</sup>. The proposal of targeted degradation methods would facilitate the efficient degradation of trace antibiotics.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100598"},"PeriodicalIF":6.9,"publicationDate":"2025-11-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518822","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-11DOI: 10.1016/j.emcon.2025.100596
Soha Salah , Päivi Myllynen , Petra Přibylová , Petr Kukučka , Liisa Laatio , Elina Sieppi , Maria Kummu , Saranya Palaniswamy , Khaled Abass
Background
Human exposure to flame retardants, particularly PBDEs, is detectable in maternal plasma and linked to various adverse health outcomes, but the influence of parental lifestyle and diet on these levels remains poorly understood.
Objective
To monitor PBDEs in maternal and cord plasma samples and examine their relationships with parental health determinants - specifically dietary intake, environmental exposure, and lifestyle factors-in a Northern Finland population for the first time.
Methods
Maternal and cord plasma samples from 102 NUGEN cohort pairs were collected during caesarean sections at Oulu University Hospital. Plasma samples were analysed for PBDE congeners (BDE-47, BDE-66, BDE-85, BDE-99, BDE-100, BDE-153, BDE-154, BDE-183, BDE-209), DBDPE, and chlorinated flame retardants (sDP, aDP), with lipid adjustment. Total cord BFRs were calculated as the sum of all congeners quantified in cord plasma, and total maternal BFRs were calculated analogously using maternal plasma.
Results
PBDE congeners with the highest detection frequencies were maternal BDE-28 (42 %), BDE-47 (42 %), BDE-153 (100 %); and cord BDE-28 (50 %), BDE-47 (52 %), BDE-153 (95 %), BDE-154 (33 %). Maternal smoking was inversely associated with cord BDE-28 (−0.80 [−1.50, −0.09]). Higher paternal education was negatively associated with cord BDE-28 (−0.93 [−1.58, −0.27]), BDE-153 (−0.21 [−0.43, −0.005]), and BDE-154 (−4.34 [−8.00, −0.68]). High vegetable intake was inversely associated with cord BDE-154 (−3.99 [−7.76, −0.22]), while high meat intake was positively associated with total cord BFRs (0.42 [0.06, 0.78]), cord BDE-47 (0.67 [0.13, 1.21]), and maternal BDE-47 (0.77 [0.16, 1.37]).
Conclusion
PBDE levels were higher in cord than maternal samples but lower than in other European countries. Findings support maternal-to-child PBDE transfer and reveal associations with lifestyle, diet, and sociodemographic factors, including paternal variables-a notable gap in prior research.
{"title":"Monitoring and assessing the association of polybrominated diphenyl ethers (PBDEs) and flame retardants (Dechlorane Plus and DBDPE) with parental lifestyle factors in a mother–child cohort of the Finnish population (NUGEN)","authors":"Soha Salah , Päivi Myllynen , Petra Přibylová , Petr Kukučka , Liisa Laatio , Elina Sieppi , Maria Kummu , Saranya Palaniswamy , Khaled Abass","doi":"10.1016/j.emcon.2025.100596","DOIUrl":"10.1016/j.emcon.2025.100596","url":null,"abstract":"<div><h3>Background</h3><div>Human exposure to flame retardants, particularly PBDEs, is detectable in maternal plasma and linked to various adverse health outcomes, but the influence of parental lifestyle and diet on these levels remains poorly understood.</div></div><div><h3>Objective</h3><div>To monitor PBDEs in maternal and cord plasma samples and examine their relationships with parental health determinants - specifically dietary intake, environmental exposure, and lifestyle factors-in a Northern Finland population for the first time.</div></div><div><h3>Methods</h3><div>Maternal and cord plasma samples from 102 NUGEN cohort pairs were collected during caesarean sections at Oulu University Hospital. Plasma samples were analysed for PBDE congeners (BDE-47, BDE-66, BDE-85, BDE-99, BDE-100, BDE-153, BDE-154, BDE-183, BDE-209), DBDPE, and chlorinated flame retardants (sDP, aDP), with lipid adjustment. Total cord BFRs were calculated as the sum of all congeners quantified in cord plasma, and total maternal BFRs were calculated analogously using maternal plasma.</div></div><div><h3>Results</h3><div>PBDE congeners with the highest detection frequencies were maternal BDE-28 (42 %), BDE-47 (42 %), BDE-153 (100 %); and cord BDE-28 (50 %), BDE-47 (52 %), BDE-153 (95 %), BDE-154 (33 %). Maternal smoking was inversely associated with cord BDE-28 (−0.80 [−1.50, −0.09]). Higher paternal education was negatively associated with cord BDE-28 (−0.93 [−1.58, −0.27]), BDE-153 (−0.21 [−0.43, −0.005]), and BDE-154 (−4.34 [−8.00, −0.68]). High vegetable intake was inversely associated with cord BDE-154 (−3.99 [−7.76, −0.22]), while high meat intake was positively associated with total cord BFRs (0.42 [0.06, 0.78]), cord BDE-47 (0.67 [0.13, 1.21]), and maternal BDE-47 (0.77 [0.16, 1.37]).</div></div><div><h3>Conclusion</h3><div>PBDE levels were higher in cord than maternal samples but lower than in other European countries. Findings support maternal-to-child PBDE transfer and reveal associations with lifestyle, diet, and sociodemographic factors, including paternal variables-a notable gap in prior research.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100596"},"PeriodicalIF":6.9,"publicationDate":"2025-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145518824","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-11-06DOI: 10.1016/j.emcon.2025.100595
Francesco Molinari , Gianluca Antonio Franco , Francesca Inferrera , Nicla Tranchida , Ylenia Marino , Davide Di Paola
Per- and polyfluoroalkyl substances (PFAS), including perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA), are highly persistent contaminants of global concern due to their accumulation in aquatic ecosystems and potential to disrupt fish health. Despite extensive environmental detection, mechanistic understanding of their cellular impacts in ecologically relevant models remains limited. Here, we investigated cytotoxic and oxidative stress responses to PFOS and PFOA in two rainbow trout (Oncorhynchus mykiss) cell lines: RTg-2 (gonadal) and RTgill-W1 (gill epithelial), representing sensitive reproductive and respiratory tissues. A 24-h exposure to increasing concentrations (0–30 mg/L) significantly reduced cell viability, elevated reactive oxygen species (ROS), and disrupted antioxidant defenses. While superoxide dismutase (SOD), catalase (CAT), and glutathione reductase (GR) were upregulated, glutathione peroxidase (GPx) and glutathione-S-transferase (GST) were suppressed, coinciding with glutathione (GSH) depletion and lipid peroxidation. Apoptosis was triggered through both intrinsic and extrinsic pathways, as shown by activation of caspase-3, -8, and -9. Importantly, PFOS and PFOA also stimulated mitogen-activated protein kinase (MAPK) signaling, with phosphorylation of ERK and p38, linking oxidative stress to downstream cell death signaling. By integrating oxidative, apoptotic, and signaling endpoints, this study provides novel mechanistic evidence of how PFOS and PFOA compromise vital fish cell types, highlighting their ecological hazard and reinforcing concerns over their persistence in aquatic environments.
{"title":"Cellular responses to PFOS and PFOA in rainbow trout cell lines: Implications for aquatic ecotoxicology","authors":"Francesco Molinari , Gianluca Antonio Franco , Francesca Inferrera , Nicla Tranchida , Ylenia Marino , Davide Di Paola","doi":"10.1016/j.emcon.2025.100595","DOIUrl":"10.1016/j.emcon.2025.100595","url":null,"abstract":"<div><div>Per- and polyfluoroalkyl substances (PFAS), including perfluorooctane sulfonate (PFOS) and perfluorooctanoic acid (PFOA), are highly persistent contaminants of global concern due to their accumulation in aquatic ecosystems and potential to disrupt fish health. Despite extensive environmental detection, mechanistic understanding of their cellular impacts in ecologically relevant models remains limited. Here, we investigated cytotoxic and oxidative stress responses to PFOS and PFOA in two rainbow trout (Oncorhynchus mykiss) cell lines: RTg-2 (gonadal) and RTgill-W1 (gill epithelial), representing sensitive reproductive and respiratory tissues. A 24-h exposure to increasing concentrations (0–30 mg/L) significantly reduced cell viability, elevated reactive oxygen species (ROS), and disrupted antioxidant defenses. While superoxide dismutase (SOD), catalase (CAT), and glutathione reductase (GR) were upregulated, glutathione peroxidase (GPx) and glutathione-S-transferase (GST) were suppressed, coinciding with glutathione (GSH) depletion and lipid peroxidation. Apoptosis was triggered through both intrinsic and extrinsic pathways, as shown by activation of caspase-3, -8, and -9. Importantly, PFOS and PFOA also stimulated mitogen-activated protein kinase (MAPK) signaling, with phosphorylation of ERK and p38, linking oxidative stress to downstream cell death signaling. By integrating oxidative, apoptotic, and signaling endpoints, this study provides novel mechanistic evidence of how PFOS and PFOA compromise vital fish cell types, highlighting their ecological hazard and reinforcing concerns over their persistence in aquatic environments.</div></div>","PeriodicalId":11539,"journal":{"name":"Emerging Contaminants","volume":"12 1","pages":"Article 100595"},"PeriodicalIF":6.9,"publicationDate":"2025-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145570238","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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