Environmental Toxicology and Chemistry最新文献

{"title":"Pollution characteristics, source analysis and risk assessment of perfluoroalkyl and polyfluoroalkyl substances of Kui River.","authors":"Shilong Wu, LuCheng Zhang, Yi She, Gang Kang, Xuemo Liu, ZiHui Xu, TingWei Huai, Rong Li, Lin Qi, MingQing Zhang","doi":"10.1093/etojnl/vgag144","DOIUrl":"https://doi.org/10.1093/etojnl/vgag144","url":null,"abstract":"<p><p>To investigate the pollution distribution characteristics and ecological risk levels of per- and polyfluoroalkyl substances (PFAS) in the surface water of the Kui River, this study tested 17 PFAS in the surface water and analyzed their pollution levels in the local aquatic environment. Results showed PFAS were ubiquitous in the Kui River, with ΣPFAS concentrations ranging from 241.83 to 700.09 ng·L-1. The main pollutants were perfluorobutyric acid (PFBA), perfluorohexanoic acid (PFHxA), and perfluorooctanoic acid (PFOA), with average concentrations of 124.62, 127.26, and 188.47 ng·L-1, respectively. Per- and polyfluoroalkyl substances (PFAS) composition had distinct seasonal variations: PFBA dominated in the wet season, while PFOA prevailed in the dry season. Principal component analysis indicated PFAS pollution mainly originated from food packaging, surfactant production, plastics, and metal plating/textiles. Ecological risk assessment showed most PFAS posed low risks; only PFOA had low risk at all dry-season sampling sites, and mixture Risk Quotient (RQmix) posed a general low-level risk. Health risk assessment found Hazard Quotient (HQ) values of seven PFAS for all age groups ranged from 1.36E-4 to 0.247. PFOA exposure had HQ > 0.1 (low hazard), while the other six showed no significant hazard. However, HQmix exceeded 0.1 for all four age groups, indicating adverse health effects. Future attention should focus on the management of dynamic PFAS sources and the combined risk posed by PFAS mixtures in the Kui River.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149220034","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"Potential Contribution of Nose Creek Stormwater Discharges to Impacts on Longnose Dace, Rhinichthys cataractae in the Bow River, Alberta.","authors":"Fateme Taridashti, Patricija Marjan, Junyi Lin, Francisco C da Silva, Markus Hecker, Kelly R Munkittrick","doi":"10.1093/etojnl/vgag275","DOIUrl":"https://doi.org/10.1093/etojnl/vgag275","url":null,"abstract":"<p><p>Stormwater runoff is a growing global concern, as urban drainage networks transport complex contaminant mixtures into receiving waters, potentially affecting fish health. Nose Creek, a stormwater-dominated tributary located in southern Alberta, Canada, receives inputs from more than 137 stormwater outfalls, and discharges into the Bow River in Calgary, Alberta. Previous studies on the Bow River have identified physiological impacts in fish collected/caged downstream of the municipal treatment plants, however some responses have also been observed at an upstream site near the Nose Creek confluence. This study aimed to evaluate Nose Creek as a potential contributor to impacts observed in fish in the Bow River. Adult longnose dace (Rhinichthys cataractae) were collected from Nose Creek and from sites along the Bow River upstream and downstream of its confluence, as well as from the downstream reach of the Elbow River, another stormwater-affected tributary. Nose Creek was highly elevated in nutrients, temperature, suspended solids, conductivity, metals and a wide variety of other chemical constituents. There were elevated levels of Escherichia coli (E.coli) and total coliforms in the Bow River downstream of the confluences. Longnose dace collected from two Nose Creek sites had significantly greater condition, liversomatic and gonadosomatic indices, but no differences were observed in whole organism responses in longnose dace collected from downstream Bow River relative to upstream. Whole-transcriptome analysis revealed that Nose Creek fish had markedly different gene expression profiles, with alteration of transcripts involved with steroid biosynthesis and metabolic pathways in female fish, and pathways related to PPAR signalling, metabolism of fatty acid and carbohydrate, and microbial metabolism in male fish. Fish downstream of the confluence showed alteration of the same pathways, although fewer genes were altered (<75) compared to Nose Creek (>140). The similarity of pathways affected in fish downstream of the confluence of Nose Creek suggests that stormwater is contributing to the responses seen downstream of its confluence.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149223576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"Size-Dependent Characteristics, Exposure Risk, and Formation Mechanisms of Environmentally Persistent Free Radicals in Atmospheric Particulate Matter.","authors":"Mingyu Li, Yixian Long, Wenyi Zhen, Jioajiao Xie, Chun-Gang Yuan, Fucong Sui, Yiwen Shen","doi":"10.1093/etojnl/vgag274","DOIUrl":"https://doi.org/10.1093/etojnl/vgag274","url":null,"abstract":"<p><p>Environmentally persistent free radicals (EPFRs) in atmospheric particulate matter (PM) are of increasing concern because of their potential health risks. This study systematically investigated the occurrence and characteristics of EPFRs in PM2.5 (particulate matter with an aerodynamic diameter ≤ 2.5 μm), PM10 (particulate matter with an aerodynamic diameter ≤ 10 μm), and total suspended particles (TSP). Mass-normalized EPFRs concentrations and g factors were determined, human exposure was evaluated using an equivalent-cigarette model, and size-dependent formation mechanisms were examined through laboratory simulations. In the simulation system, SiO2, catechol, and ZnO were used as the surrogate particle, organic precursor, and transition-metal component, respectively, while scanning electron microscopy (SEM), energy-dispersive x-ray spectroscopy (EDS), Brunauer-Emmett-Teller (BET) analysis, Fourier transform infrared (FTIR) spectroscopy, and X-ray photoelectron spectroscopy (XPS) were applied to characterize particle morphology, elemental composition, and surface properties. The EPFRs in atmospheric PM were identified mainly as carbon-centered radicals with adjacent oxygen-containing functional groups. PM2.5 showed the highest EPFRs concentration (8.05 × 1016 spins·g-1) and g factor (2.00337), indicating that finer particles contained more abundant radicals and a stronger contribution from oxygen-related species. The estimated daily equivalent-cigarette exposure was 0.326 cigarettes day-1 for PM2.5 and 0.346 cigarettes day-1 for PM10. Laboratory simulations showed that smaller particles generated more EPFRs and exhibited higher g factors because of their larger specific surface area and more accessible reactive sites. The EPFRs concentration on 2 μm particles was 1.63 and 16.3 times higher than that on 10 μm and 150-380 μm particles, respectively. Zn also played a key role in promoting EPFRs formation. Integrating field observations and laboratory simulations, this study assesses size-segregated EPFRs exposure and Zn's role in EPFRs formation in PM2.5. These findings underscore the need for coordinated control of heavy metals and organic species and support toxicity-oriented PM control.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149178782","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"Ecotoxicological assessment of soils polluted with legacy waste in Kerala using the earthworm Perionyx excavatus and terrestrial plants for effective management of legacy waste dumpsites.","authors":"T G Krishna, M K Theertha Anilkumar, Athul Koppalthodikayil, George Joshy, Vamadevan Beena, Krishna K M Jagathnath, K P Prathish, Kesavachandran Chandrasekharan Nair","doi":"10.1093/etojnl/vgag273","DOIUrl":"https://doi.org/10.1093/etojnl/vgag273","url":null,"abstract":"<p><p>The Municipal Solid Waste (MSW) dumpsite in Brahmapuram, Kerala, India, experienced a massive fire incident that burned continuously for 12 days, releasing hazardous smoke and toxic emissions into the nearby areas. The ecological impact, particularly on the terrestrial toxicity of the legacy site resulting from the fire incident, was not thoroughly investigated. The study focuses on the physicochemical properties of MSW soil collected after the fire incident and its effects on Perionyx excavatus and plants using Ecotoxicological tests. The results showed the presence of microplastics such as linear low-density polyethylene, low-density polyethylene, high-density polyethylene, polypropylene, and polyethylene terephthalate in the MSW soil. The observation of metals like Ni, Co, Zn, Cr, Pb, and Hg in the legacy waste soil indicates the presence of contamination from both waste dumping and industrial sources. The highest bioaccumulation in earthworms from the MSW soil was Hg. No mortality of earthworms was observed in the acute toxicity test. In the chronic toxicity test, a higher number of cocoons and juveniles was observed in MSW soil. The histopathological analysis showed increased mucus secretion in the epidermal layer after 14 days, mild hyperplasia and fusion of villi in the intestinal epithelium after 28 days of exposure to MSW soil. The plant growth test with the MSW soil showed a significant increase in the root length of the pea, presumably due to the high nutrient content of the soil outweighing the effects of contaminants. Although there were no toxic effects observed in earthworms and plants exposed to the MSW dumpsite soil based on the acute/chronic toxicity studies, use of soil for agricultural/infrastructure purposes should be undertaken with caution, considering the bioaccumulation of contaminants in earthworms and possible leachates to plant parts.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149165368","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"Combined sewer overflows attributable to wet weather season contributing to pharmaceutical pollution: a case study in northern Spain.","authors":"Vladimir Akhrimenko, Daniel Cerveny, Xiana Gonzalez-Gomez, Matías Nicolás Cuenca-Castillo, Iker Egaña, Jose Benito Quintana, Tomas Brodin, Unax Lertxundi, Gorka Orive","doi":"10.1093/etojnl/vgag217","DOIUrl":"https://doi.org/10.1093/etojnl/vgag217","url":null,"abstract":"<p><p>The use of combined sewer systems is associated with frequent overflow events and discharges of untreated wastewater containing micropollutants, including active pharmaceutical ingredients (APIs). The aim of this study was to evaluate the impact of weather-related factors on the presence of pharmaceuticals and illicit substances and assess the related environmental risk. To address this goal, three sites in the surroundings of the city of Vitoria-Gasteiz were sampled in April (dry week) and November (wet week): Betoño Pond in the Salburua Wetlands, and Zadorra River before and after receiving the Crispijana wastewater treatment plant's (WWTP) effluent. An environmental risk assessment was performed by measuring the hazard quotients for each compound, in addition to individual chemical enantiomers of amphetamine and 3,4-methylenedioxymethamphetamine. A total of 33 out of 102 substances were detected in at least one of the samples and a minimum of 6 APIs in all sample sites. Post-WWTP samples taken in autumn (wet week) presented the highest cumulative concentration (7739 ng L-1). Risk quotients of 12 APIs in the most contaminated site in the rainy weather sampling period reached values >1: diclofenac (3.12) and eprosartan (1.59).</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149165342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"Caged Gammarus fossarum for monitoring bioavailable contamination in French rivers.","authors":"Rémi Recoura-Massaquant, Arnaud Chaumot, Magali Barnier, Sylvain Jolly, Dorothée Bolzan, Marina Coquery, Olivier Geffard","doi":"10.1093/etojnl/vgag269","DOIUrl":"https://doi.org/10.1093/etojnl/vgag269","url":null,"abstract":"<p><p>Active biomonitoring using caged organisms is increasingly applied to assess chemical contamination and toxicity in aquatic environments. In France, caged Gammarus fossarum is routinely used to monitor bioavailable contamination in accordance with the European Water Framework Directive (WFD). Building on the approach initially proposed by Besse et al., who developed a method to define regional Bioavailable Background Assessment Concentrations (BBACs) for approximately 30 chemical compounds, this study aimed to establish BBAC thresholds at the national scale for the maximum number of compounds analyzed in caged gammarids by the six French water agencies. The BBAC represents the concentration above which contamination is interpreted as resulting from anthropogenic and/or geochemical sources, and below which it reflects background conditions. Using data from the 2019 nationwide monitoring campaign, encompassing 221 sites and 478 deployments, we determined BBAC values to distinguish natural background contamination from anthropogenic inputs and proposed contamination severity classes to characterize the intensity of site contamination. Among 250 compounds analyzed, 60 met BBAC determination criteria, including metals, polycyclic aromatic hydrocarbons (PAHs), polychlorinated biphenyls (PCBs), perfluorooctanoate (PFOS), and certain herbicides. Contamination severity levels were set for 40 substances, enabling the classification of sites based on bioaccumulation levels for each contaminant. Applying such contamination thresholds facilitated a nuanced interpretation of contamination levels. This study represents the first large-scale application of caged gammarids across metropolitan French rivers for chemical biomonitoring in European continental waters. The BBAC values and contamination severity levels established here provide essential tools for regulatory agencies to assess contamination and support water quality management. These findings highlight the relevance of active biomonitoring with caged gammarids as a robust and standardized approach for monitoring chemical contamination in freshwater ecosystems.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149166971","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"Multiple stressor effects of hypoxia and metals on ventilation, activity, bioaccumulation, and loss of equilibrium in fathead minnows.","authors":"Natalie M Nykamp, W Andrew Thompson, Isaac Beckford, Sigal Balshine, Erin M Leonard","doi":"10.1093/etojnl/vgag272","DOIUrl":"https://doi.org/10.1093/etojnl/vgag272","url":null,"abstract":"<p><p>Hypoxia is an increasing concern in freshwater ecosystems, driven by warming, stratification, and nutrient enrichment. Fish cope with hypoxia through behavioural and ventilatory adjustments, yet growing evidence suggests that certain metals can impair these critical compensatory mechanisms. It is currently unknown whether lead (Pb) and nickel (Ni), released in part through expanding mining operations, may alter these critical survival responses. We tested whether 48 hr Pb and Ni exposure impaired fathead minnows' (Pimephales promelas) responses to hypoxia by measuring their gill metal accumulation, ventilation rates, behaviour (movement), and hypoxia tolerance (as measured by % dissolved oxygen [DO] at loss-of-equilibrium [LOE]). Notably, Pb (43 μg/L) exposure during hypoxia resulted in 3.5 × greater gill bioaccumulation, indicating changes in gill uptake dynamics. Opercular movements were used as a proxy for the hypoxic ventilatory response (HVR) and the increase in ventilation in Ni exposed fish was 48% less than the increase in unexposed fish, indicating a blunted HVR. Ni (318 μg/L) increased fish activity, as measured by total distance moved, in both normoxia and hypoxia. Both metals increased hypoxia tolerance as measured by LOE. Together, it appears that co-exposure to Pb and hypoxia may increase gill Pb accumulation due to a maintained HVR, and short-term exposure to Ni can increase locomotion, without affecting ventilatory responses to hypoxia. These results underscore the importance of multiple-stressor research to better understand the interplay of hypoxia and metals to inform water quality guidelines.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149164695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"High Throughput Adaptation of Standardised Ecotoxicological Tests for the model freshwater invertebrate Daphnia magna.","authors":"Angel D Ceballos-Ramirez, Mark E Hodson, Colin D Brown, Thomas G Preuss, Elma Lahive, Daniel Burkow","doi":"10.1093/etojnl/vgag266","DOIUrl":"https://doi.org/10.1093/etojnl/vgag266","url":null,"abstract":"<p><p>Current environmental regulations require the standardised testing of chronic ecotoxicological endpoints as part of their approval processes. However, although such tests tend to be resource intensive, new high throughput methods have not been favoured to date due to their lack of standardisation. To address this, a high throughput experiment that captured the conditions specified in the standardised Organisation for Economic Co-operation and Development's (OECD) Test Guideline 211 was carried out. Daphnids (>400) were individually exposed to five concentrations of each of four polar narcotic chemicals (3,4-dichloroaniline (DCA), 2,4,5-trichloroaniline (TCA), 1,2-dichlorobenzene (DCB), 3-nitroaniline (3NA)) and four chemicals that are nACHhR inhibitors (acetamiprid, clothianidin, nitenpyram, thiacloprid) for a period of 21 days. Growth and reproduction were measured every other day using a spheroid counter. Mortality in controls was low (<20%) throughout the study period meeting OECD validity criteria. However, average cumulative reproduction of 52 neonates per Daphnid in controls was slightly below the OECD reproduction validity criteria of 60 neonates per Daphnid. Despite variations in average observed size of the animals due to their position during measurement, results show a clear dose-response effect for growth and reproduction, enabling ECx to be calculated for all chemicals at any time point. The results of this experiment demonstrate a robust methodology that can generate a large volume of time sensitive data for chronic and acute endpoints, under conditions consistent with standard OECD test guidelines in a cost and time efficient manner.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149166976","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"Toxicity-Weighted Multi-Criteria Decision-Making for the Prioritization of Nitrosamines in Drinking Water Using a Fuzzy Aggregation Framework.","authors":"Cihan Özgür","doi":"10.1093/etojnl/vgag268","DOIUrl":"https://doi.org/10.1093/etojnl/vgag268","url":null,"abstract":"<p><p>Nitrosamines are among the most concerning nitrogenous disinfection by-products in drinking water because of their high carcinogenic potency and frequent occurrence, particularly in chloraminated systems. However, current risk assessments are predominantly compound-specific and often rely on N-nitrosodimethylamine (NDMA) as a surrogate, limiting the interpretation of multi-compound exposure scenarios. In this study, a toxicity-weighted multi-criteria decision-making framework based on the fuzzy analytic hierarchy process (fuzzy AHP) was developed to prioritize nine commonly reported nitrosamines: NDMA, N-nitrosodiethylamine (NDEA), N-nitrosodi-n-propylamine (NDPA), N-nitrosodibutylamine (NDBA), N-nitrosomethylethylamine (NMEA), N-nitrosopyrrolidine (NPYR), N-nitrosopiperidine (NPIP), N-nitrosomorpholine (NMOR), and N-nitrosodiphenylamine (NDPhA). The framework initially considered toxicological properties, exposure indicators, environmental prevalence, evidence availability, data reliability, and practical management considerations. Following fuzzy weighting, the final aggregation was driven by oral slope factor, mean concentration, chronic daily intake (CDI), and toxicity-data reliability. To account for dataset heterogeneity, three contexts were evaluated separately: Formation potential, distribution network, and treatment plant effluent. NDEA ranked first in all three contexts, primarily because of its high carcinogenic potency. NDMA ranked second in the formation-potential and treatment-plant-effluent contexts but third in the distribution-network context, where NDPA ranked second. The high priority of NDMA reflected its combined contributions from carcinogenic potency, concentration, and CDI, whereas the priority of NDPA was largely driven by its comparatively high CDI. Mid-ranked compounds showed context-dependent variation: NPIP and NMOR received relatively higher priorities in the treatment-plant-effluent and formation-potential contexts, while NMEA ranked higher in the distribution-network context. Across all three contexts, the lowest rank was consistently assigned to NDPhA. Overall, the findings demonstrate that nitrosamine prioritization requires the joint consideration of toxicity and exposure and that the proposed framework provides a transparent and transferable tool for risk-informed monitoring and management in drinking-water systems.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149135419","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}

{"title":"In silico toxicity assessment of diverse organic chemicals in channel catfish (Ictalurus punctatus): Duration-specific (24-96 hr) QSAR modeling, mechanistic interpretation, and data gap filling.","authors":"Aniket Nath, Probir Kumar Ojha","doi":"10.1093/etojnl/vgag267","DOIUrl":"https://doi.org/10.1093/etojnl/vgag267","url":null,"abstract":"<p><p>The channel catfish (Ictalurus punctatus) is vital to aquatic ecosystems and the aquaculture industry, regulating food webs, cycling nutrients, and indicating ecosystem health because of its habitat adaptability. The rise of harmful industrial organic chemicals exposes the limits of traditional toxicity tests, such as animal testing, which are often unreliable, costly, time-consuming, and ethically problematic. To overcome these issues, in silico methods, especially Quantitative Structure-Activity Relationships (QSARs), can offer a reliable, animal-free alternative for predicting toxicity. Using toxicity endpoint data from the U. S. Environmental Protection Agency's (USEPA) ECOTOXicology database (ECOTOX), we developed the first species-specific QSAR models for I. punctatus, based on two-dimensional (2D) molecular descriptors, enabling safer and more ethical environmental assessments. We developed four duration-specific (24, 48, 72, and 96 hr) QSAR models using curated mortality datasets comprising 187, 89, 49, and 246 compounds, respectively. The models demonstrated strong goodness-of-fit, robustness, and predictive power, validated both internally (R2=0.711 - 0.828; Q2LOO=0.646 - 0.769) and externally (Q2F1=0.717 - 0.773; Q2F2=0.715 - 0.761). To ensure our models are practically reproducible, we predicted toxicity for over 1,500 new chemicals, identifying the ten most and least toxic compounds and their specific structural characteristics, which will help design safer chemicals and manage sustainable channel catfish populations to support a healthy aquatic ecosystem.</p>","PeriodicalId":11793,"journal":{"name":"Environmental Toxicology and Chemistry","volume":" ","pages":""},"PeriodicalIF":3.6,"publicationDate":"2026-10-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149126898","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}