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Multi-level metabolic Profiling of Synthetic Cannabinoid 5F-ADB: Identifying Definitive Biomarkers for Forensic Source Tracking and Ecotoxicological Risk Assessment. 合成大麻素5F-ADB的多层次代谢分析:鉴定法医来源追踪和生态毒理学风险评估的明确生物标志物。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-08 DOI: 10.1093/etojnl/vgag003
Qinghua Liu, Yuqing Liu, Beiya Ma, Pan Yi, Runwen Shao, Shuhan Li, Hongxia Sui, Ruixin Guo, Jianqiu Chen, Yanhua Liu

Methyl 2-{[1-(5-fluoropentyl)-1H-indazole-3-carbonyl]amino}-3,3-dimethylbutanoate (5F-ADB), a potent synthetic cannabinoid, induces intense euphoria, hallucinations, and addiction, posing significant risks to human health. Current drug surveillance efforts lack data to identify drug abuse, and the environmental impacts of 5F-ADB entering aquatic systems via synthesis or use remain uncharacterized. To address these gaps, a multi-level assessment system (in vitro-invertebrate-vertebrate) was established to elucidate 5F-ADB metabolic pathways and identify robust biomarkers. Human liver microsomes (HLM), Daphnia magna, and zebrafish were exposed to 5F-ADB, with metabolites profiled using high performance liquid chromatography coupled with mass spectrometry (HPLC-MS). Metabolic pathways were inferred, and metabolite toxicity was evaluated. Results revealed 9, 11, and 22 metabolites in HLM, D. magna, and zebrafish models, respectively. Dominant pathways in HLM and zebrafish included ester hydrolysis, defluorinated-hydroxylation, and combined ester hydrolysis/defluorinated-hydroxylation. D. magna metabolism primarily featured defluorinated-hydroxylation, depentylation, and ester hydrolysis coupled with hydroxylation. Glucuronidation metabolites were exclusive to zebrafish. Based on abundance and stability, H-M4 (ester hydrolysis), D-M1 (ester hydrolysis/depentylation), and Z-M15 (ester hydrolysis/condensation) were identified as key biomarkers for HLM, D. magna, and zebrafish, respectively. Toxicity assessments indicated reduced toxicity for most metabolites versus 5F-ADB. However, H-M7, D-M7, D-M11, and Z-M15 (products of ester hydrolysis/condensation or defluorinated-hydroxylation/oxidation) exhibited comparable toxicity to the parent compound. Critically, D-M7 (defluorinated-hydroxylation/oxidation) demonstrated heightened hydrophilicity and potentially elevated ecotoxicity in D. magna, warranting further ecological risk investigation. This study provides the first multi-trophic metabolic characterization of 5F-ADB, delivering critical data for tracing illicit synthesis, monitoring drug-use distribution, and evaluating environmental hazards of synthetic cannabinoids.

甲基2-{[1-(5-氟戊基)- 1h -吲哚-3-羰基]氨基}-3,3-二甲基丁酸酯(5F-ADB)是一种强效合成大麻素,可引起强烈的欣快感、幻觉和成瘾,对人类健康构成重大风险。目前的药物监测工作缺乏确定药物滥用的数据,通过合成或使用进入水生系统的5F-ADB的环境影响仍未确定。为了解决这些空白,建立了一个多层次评估系统(体外无脊椎动物-脊椎动物)来阐明5F-ADB代谢途径并识别强大的生物标志物。将人肝微粒体(HLM)、大水蚤(Daphnia magna)和斑马鱼暴露于5F-ADB中,使用高效液相色谱-质谱联用(HPLC-MS)对代谢物进行分析。推断代谢途径,并评估代谢物毒性。结果显示,在HLM、D. magna和斑马鱼模型中分别有9、11和22种代谢物。HLM和斑马鱼的主要途径包括酯水解、去氟-羟基化和酯水解/去氟-羟基化复合途径。大代谢的主要特征是去氟化-羟基化、去氟化和酯水解与羟基化。葡萄糖醛酸化代谢产物是斑马鱼独有的。基于丰度和稳定性,H-M4(酯水解)、D-M1(酯水解/去烯酰化)和Z-M15(酯水解/缩合)分别被确定为HLM、D. magna和斑马鱼的关键生物标志物。毒性评估表明,与5F-ADB相比,大多数代谢物的毒性降低。然而,H-M7、D-M7、D-M11和Z-M15(酯水解/缩合或去氟化羟基化/氧化产物)的毒性与母体化合物相当。关键的是,D-M7(去氟化羟基化/氧化)在D. magna中表现出更高的亲水性和潜在的更高的生态毒性,需要进一步的生态风险调查。该研究首次提供了5F-ADB的多营养代谢特征,为追踪非法合成、监测药物使用分布和评估合成大麻素的环境危害提供了关键数据。
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引用次数: 0
Introduction to Special Series on Hazardous Waste Sites and Remediation Case Studies: Risk Reduction, Synergies Between Remediation and Restoration Goals. 介绍危险废物场地和修复案例研究:降低风险,修复和恢复目标之间的协同作用。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-08 DOI: 10.1093/etojnl/vgag004
Ralph G Stahl, Upal Gosh, Marc S Greenberg, Charles Menzie
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引用次数: 0
Environmental impact of tire and road wear particle residue on gammarids and potential ecological consequences. 残留轮胎和道路磨损颗粒对生物的环境影响和潜在的生态后果。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf225
Emilie Réalis-Doyelle, Alexis Golven, Fanny-Laure Thomassin, Jean Guillard, Nathalie Cottin, Emmanuel Naffrechoux

The environmental impact of tire and road wear particles (TRWPs), arising from tire-road friction, has raised significant concerns. Like microplastics, TRWPs contaminate air, water, and soil, with considerable annual emissions and runoff into freshwater ecosystems. Among TRWP compounds, N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine quinone (6PPD-Q), leached from tire particles, shows varying toxicity across species, notably affecting fish and invertebrates. This study investigates the effects of 6PPD-Q on Gammarus amphipods, a key species in freshwater ecosystems, to better understand its potential ecological and policy implications. Using recirculating water systems with nine independent incubators, Gammarus amphipods were exposed to 6PPD-Q at concentrations (1.5 and 3.0 µg/L) relevant to peri-alpine lakes. Males and females were separately tested across treatments, and multiple biodemographic endpoints were monitored, including survival, feeding rate, behavior, and reproductive traits. Results revealed sublethal effects included a significant reduction in feeding rate and behavioral alterations at 1.5 µg/L, such as decreased swimming speed and reduced distance travelled. Furthermore, a moderate increase in male mortality (14%) was observed at 3 µg/L. Although oocyte size increased at 3 µg/L, the number of oocytes and embryos did not significantly differ between treatments. These results suggest that even at low concentrations, 6PPD-Q may impair key physiological and behavioral functions in Gammarus, potentially through neurotoxic mechanisms. Given the ecological role of amphipods in detritus processing and trophic transfer, such impairments could compromise energy flow within freshwater food webs. Although some observed effects showed high variability, they warrant further investigation to assess potential long-term and population-level consequences.

轮胎和道路摩擦产生的轮胎和道路磨损颗粒(TRWP)对环境的影响引起了人们的极大关注。与微塑料一样,TRWP污染空气、水和土壤,每年有大量排放和径流进入淡水生态系统。在TRWP化合物中,从轮胎颗粒中浸出的6PPD-Q在不同物种中表现出不同的毒性,特别是对鱼类和无脊椎动物的影响。本研究探讨了6PPD-Q对淡水生态系统中重要物种Gammarus片脚类动物的影响,以更好地了解其潜在的生态和政策意义。利用带有9个独立孵育箱的循环水系统,将Gammarus片脚类动物暴露于与高山湖泊相关的浓度为1.5和3.0µg/L的6PPD-Q环境中。雄性和雌性分别在不同的治疗中进行测试,并监测多个生物统计学终点,包括存活率、摄食率、行为和生殖特征。结果显示,在1.5 μ g/L的浓度下,亚致死效应包括摄食率显著降低和行为改变,如游泳速度降低、行走距离缩短。此外,当浓度为3µg/L时,观察到男性死亡率(14%)适度增加。虽然在3µg/L浓度下卵母细胞大小增加,但卵母细胞和胚胎的数量在处理之间没有显著差异。这些结果表明,即使在低浓度下,6PPD-Q也可能通过神经毒性机制损害Gammarus的关键生理和行为功能。考虑到片脚类动物在碎屑处理和营养转移中的生态作用,这种损伤可能会损害淡水食物网中的能量流动。虽然一些观察到的影响表现出高度的可变性,但它们值得进一步调查,以评估潜在的长期和种群水平的后果。
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引用次数: 0
Effects of metal mixtures on benthic macroinvertebrate communities in the field. 金属混合物对野外底栖大型无脊椎动物群落的影响。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf266
Adam Peters, Stijn Baken, Christopher Cooper, Elizabeth Middleton, Jasim Chowdhury, Yamini Gopalapillai

Concerns about the toxic effects of chemical mixtures have led to regulatory organizations considering how best to address exposures to complex mixtures in the environment. The ubiquitous nature of metals means that they are always present in the environment, even if only at very low levels. It is appropriate to consider whether the mixtures of commonly regulated metals in the environment are likely to cause adverse effects on ecosystems if the environmental quality standards (EQSs) for all the individual metals are complied with. The total risk from four metals (copper, lead, nickel, and zinc) was evaluated in terms of the potential effects on freshwater benthic macroinvertebrate communities from the United Kingdom. The total risk was expressed as the sum of the individual risk characterization ratios for each metal (∑RCR). The ecological data are expressed relative to predicted reference conditions to provide an ecological quality ratio, which indicates whether the local community has been affected by any stressors by comparison to unaffected reference conditions. Very high metal exposures, expressed as the ∑RCR value, were found to be associated with reduced ecosystem diversity. However, a 10% reduction in community diversity relative to the predicted unaffected reference conditions is expected to occur only at ∑RCR values of greater than 8 ∑RCR units. This indicates that in "real world" situations, where a suite of inorganic and organic pollutants may be present, if the EQS for each of the individual metals is complied with (in this case, a ∑RCR value no higher than 4), there will likely not be any observable impact on benthic invertebrate community diversity despite the presence of these metals and other contaminants.

对化学混合物的毒性影响的担忧促使监管机构考虑如何最好地解决环境中复杂混合物的暴露问题。金属无处不在的性质意味着它们总是存在于环境中,即使只是非常低的水平。如果所有个别金属的环境质量标准(EQS)都得到遵守,那么考虑环境中普遍受管制的金属混合物是否可能对生态系统造成不利影响是适当的。根据对英国淡水底栖大型无脊椎动物群落的潜在影响,评估了四种金属(铜、铅、镍和锌)的总风险。总风险表示为每种金属的个体风险特征比率(∑RCR)的总和。生态数据相对于预测的参考条件来表示,以提供一个生态质量比率,该比率表明当地社区是否受到任何压力因素的影响,并与未受影响的参考条件进行比较。极高的金属暴露(以∑RCR值表示)与生态系统多样性降低有关。然而,只有当∑RCR值大于8∑RCR单位时,群落多样性才会相对于预测的未受影响参考条件减少10%。这表明,在可能存在一系列无机和有机污染物的“现实世界”情况下,如果每种金属的EQS都得到遵守(在这种情况下,∑RCR值不高于4),那么尽管存在这些金属和其他污染物,底栖无脊椎动物群落多样性可能不会受到任何可观察到的影响。
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引用次数: 0
Fish embryo and mysid tests as alternatives to standard fish tests for marine toxicity testing: a comparison of test sensitivity and exploration of additional endpoints. 代替海洋毒性试验的标准鱼类试验的鱼胚和鱼壳试验:试验敏感性的比较和对其他终点的探索。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf257
Dalton S Allen, Katie S Solomons, Maddie M Wiencek, Michaela M Kelly, Marlo K Sellin Jeffries

To protect marine environments, standardized whole effluent toxicity (WET) testing methods using a diverse range of aquatic organisms have been developed. A predominant method of WET testing is the fish larval growth and survival (LGS) test, which uses sheepshead minnow (Cyprinodon variegatus) or inland silverside (Menidia beryllina) larvae. Although fish LGS tests have been effective in the identification of potentially toxic effluents, animal welfare concerns have spurred efforts to develop and implement new approach methods, such as fish embryo toxicity (FET) and mysid (Americamysis bahia) survival and growth tests, which feature fish embryos and invertebrates, respectively. The goal of this study was to advance the development of marine testing alternatives by assessing the sensitivity of marine FET and mysid tests relative to that of standardized fish tests (i.e., fish LGS tests) for two environmentally relevant chemicals (i.e., Ni and phenanthrene [Phe]). In addition, the utility of sublethal endpoints as additional FET test metrics was explored. The findings of this study indicate that the mysid test is more sensitive than the other test methods evaluated for the assessment of Ni and Phe acute toxicity. Further, the mysid test showed comparable or greater sensitivity relative to the standardized fish LGS tests for the evaluation of chronic toxicity. Although the marine FET tests were less sensitive than the most sensitive fish LGS test for Ni and Phe, the inclusion of sublethal endpoints (i.e., pericardial edema and hatchability) increased FET test sensitivity. These findings indicate the predictive power of marine FET and mysid tests relative to fish LGS tests for the chemicals tested and suggest that FET test performance can be improved through the inclusion of additional endpoints. The results of this study lay the groundwork for future studies that aim to compare the performance of these test types using complex whole effluent mixtures.

为了保护海洋环境,已经开发了使用各种水生生物的标准化全污水毒性(WET)测试方法。湿法测试的主要方法是鱼类幼虫生长和存活(LGS)测试,该测试使用羊头鲦鱼(Cyprinodon variegatus)或内陆银鱼(Menidia beryllina)幼虫。尽管鱼类LGS测试在识别潜在有毒废水方面是有效的,但对动物福利的关注促使人们努力开发和实施新的方法(NAMs),例如鱼胚胎毒性(FET)和mysid (Americamysis bahia)生存和生长测试,它们分别以鱼胚胎和无脊椎动物为特征。这项研究的目标是通过评估海洋FET和mysid测试相对于标准化鱼类测试(即鱼类LGS测试)对两种与环境有关的化学品(即镍和菲)的敏感性,推动海洋测试替代方案的发展。此外,亚致死终点作为额外的FET测试指标的效用进行了探讨。本研究结果表明,mysid试验比其他评价Ni和Phe急性毒性的试验方法更敏感。此外,与标准化鱼类LGS测试相比,mysid测试显示出相当或更高的敏感性,用于评估慢性毒性。虽然海洋FET试验对Ni和Phe的敏感性低于最敏感的鱼类LGS试验,但纳入亚致死终点(即心包水肿和孵化率)增加了FET试验的敏感性。这些发现表明,相对于鱼类LGS测试,海洋FET和mysid测试对测试化学品的预测能力更强,并表明可以通过纳入额外的端点来提高FET测试的性能。这项研究的结果为未来的研究奠定了基础,这些研究旨在比较使用复杂的全流出混合物的这些测试类型的性能。
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引用次数: 0
Not-so-simple patterns of neonicotinoids and diamides in small Prairie streams: implications for assessing risk and understanding pesticide dynamics. 小草原溪流中不太简单的新烟碱类和二胺的模式:对评估风险和理解农药动态的影响。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf253
Caitlin Watt, John-Mark Davies, Claudia Sheedy, Jonathan K Challis

Year-round neonicotinoids detections in waterways pose a threat to aquatic ecosystems and drinking water supplies. Neonicotinoids, and increasingly diamides, are being used in the Canadian Prairies, but there is a paucity of detection and concentration data in streams and rivers. We report on neonicotinoids and diamides in 16 streams in southern Saskatchewan, Canada between 2017 and 2019. Approximately half of all samples had measurable levels of at least one insecticide, generally below guidelines. Thiamethoxam was most frequently detected across sites (42%), followed by clothianidin (18%) and imidacloprid (9%), while diamide detections differed with location. Most samples with detections contained at least one of thiamethoxam, clothianidin, or imidacloprid (98%). About 15% of samples between 2018 and 2019 detected diamides, reflecting their increasing use in Canada. While thiamethoxam and clothianidin concentrations were similar between rain events and snowmelt, their average daily loads were greatest during snowmelt (p < 0.05); suggesting overwintering and spring freshet as a significant source to streams. Generally, agriculturally intensive subwatersheds dominated by canola and cereals had higher neonicotinoid concentrations, yet crop cover and sites explained a small proportion of the variance. Neither site, crop, flow, or year considerably accounted for the large variation in detections, suggesting a complexity of factors. Based on probability distributions, exceedances of 7% to 15% were observed for thiamethoxam, clothianidin, and imidacloprid when compared to a highly protective chronic predicted no-effect concentration guideline value, suggesting limited acute or chronic risk in these systems. The variation of insecticide concentrations reflects crop practices, precipitation, prairie hydrology, agricultural practices, and environmental conditions, and highlights the need for improved monitoring across Canada to better understand processes affecting their distribution and risk.

水道中全年检测到的新烟碱类对水生生态系统和饮用水供应构成威胁。新烟碱类和越来越多的二胺类正在加拿大大草原上使用,但在溪流和河流中缺乏检测和浓度数据。我们报告了2017年至2019年加拿大萨斯喀彻温省南部16条河流中的新烟碱类和双胺类。所有样本中约有一半至少含有一种可测量的杀虫剂,通常低于指导标准。最常见的是噻虫嗪(42%),其次是噻虫胺(18%)和吡虫啉(9%),而二胺的检测因地点而异。大多数检测到的样品至少含有噻虫嗪、噻虫胺或吡虫啉中的一种(98%)。2018年至2019年期间,约15%的样本检测到二胺,反映出它们在加拿大的使用日益增加。虽然噻虫胺和噻虫胺的浓度在降雨事件和融雪事件之间相似,但它们的平均日负荷在融雪期间最大(p
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引用次数: 0
Mercury contamination: a hidden threat to long-distance migrant shorebirds in critical wintering sites on the west coast of India. 汞污染:对印度西海岸重要越冬地点的长途候鸟的潜在威胁。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf238
K A Rubeena, K M Aarif

Of the many hypotheses attributed to the global decline in shorebirds, an important one is the exposure to contaminants, particularly to wintering shorebirds. However, there is limited information available on contaminant levels in winter migrant shorebirds, especially within the Central Asian Flyway (CAF). This research gap is addressed in this study on total mercury (THg) contamination in 10 species of long-distance migrant shorebirds along the west coast of India from 2019 to 2021. Of the 10 species studied, the highest concentration of THg was reported in the droppings of Common Redshank in the mangroves (81.29 ± 6.82 mg/kg wet wt) and the lowest was reported in Little Stint in sand beach (17.40 ± 2.14 mg/kg wet wt). The Kadalundi-Vallikunnu Community Reserve (KVCR) and its adjacent sand beaches serve as vital stop-over sites within the CAF, catering to the nutritional needs of various migratory shorebirds, including transoceanic, oversummering, and locally moving species. This research offers solid evidence of THg concentration in predators occupying high trophic levels of the coastal ecosystems in the KVCR and surrounding areas. Understanding the extent and impact of THg concentration on both organisms and their habitat is crucial. The study highlights a significant increase of THg concentration across the years. Additionally, it provides essential information to support extensive, long-term biomonitoring efforts aimed at conserving shorebirds regionally and globally.

在许多归因于全球滨鸟数量下降的假设中,重要的一个是暴露于污染物,尤其是与越冬滨鸟有关的污染物。然而,关于冬季候鸟的污染物水平的信息有限,特别是在中亚飞行路线内。本研究对2019年至2021年印度西海岸10种长途迁徙滨鸟的汞污染进行了研究,解决了这一研究空白。在研究的10种滨鸟中,红树林中红脚鹬粪便中汞的浓度最高(81.29±6.82 mg/kg湿wt.),沙滩中的小湾鹬粪便中汞的浓度最低(17.40±2.14 mg/kg湿wt.)。Kadalundi-Vallikunnu社区保护区(KVCR)及其邻近的沙滩是中亚飞行路线上重要的中途停留点,满足各种迁徙滨鸟的营养需求,包括越洋、过夏和当地移动的物种。本研究提供了在KVCR及周边地区占据高营养级沿海生态系统的捕食者体内汞浓度的确凿证据。了解汞浓度对这两种生物及其栖息地的程度和影响至关重要。该研究强调了多年来汞浓度的显著增加。此外,它还提供了必要的信息,以支持旨在保护区域和全球滨鸟的广泛、长期的生物监测工作。
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引用次数: 0
Classification of hydroxylated polychlorinated biphenyls as agonists and nonagonists of estrogen receptors using linear discriminant analysis and decision tree models. 使用线性判别分析和决策树模型对羟化多氯联苯作为雌激素受体激动剂和非激动剂进行分类。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf262
Lukman K Akinola, Adamu Uzairu, Gideon A Shallangwa, Stephen E Abechi, Abdullahi B Umar

Hydroxylated polychlorinated biphenyls (OH-PCBs) are potential endocrine disruptors due to their interaction with nuclear receptors. However, experimental evaluation of their estrogenic activity is costly and time-consuming, limiting data availability. In this study, quantitative structure-activity relationship (QSAR) models were constructed using linear discriminant analysis (LDA) and decision tree (DT) with both 2D autocorrelation and arithmetic residuals in K-groups analysis (ARKA) descriptors to classify OH-PCBs as agonists or nonagonists of estrogen receptors (ERα and ERβ). For the ERα dataset, the training, test, and cross-validation set accuracies were 89.2%, 84.0%, and 88.0% for the LDA model developed with 2D autocorrelation descriptors (Model I); 89.2%, 72.0%, and 84.9% for the DT model developed with 2D autocorrelation descriptors (Model II); and 89.2%, 80.0%, and 87.0% for the ARKA-based model (Model V). Area under receiver operating characteristic (AUC-ROC) values of 0.959, 0.903, and 0.954 were obtained for Models I, II, and V respectively. For the ERβ dataset, the training, test, and cross-validation set accuracies were 90.5%, 84.0%, and 87.9% for the LDA model constructed with 2D autocorrelation descriptors (Model III); 89.2%, 68.0%, and 83.9% for the DT model constructed with 2D autocorrelation descriptors (Model IV); and 87.8%, 80.0%, and 84.9% for the ARKA-based model (Model VI). Values for AUC-ROC of 0.966, 0.892, and 0.945 were obtained for Models III, IV, and VI respectively. Overall, the QSAR models reported in this article provide a reliable and efficient approach for screening OH-PCBs for estrogenic activity, offering valuable tools for environmental risk assessment, with ARKA descriptors serving as effective alternatives to conventional descriptors.

羟基化多氯联苯(OH-PCBs)是潜在的内分泌干扰物,因为它们与核受体相互作用。然而,对其雌激素活性的实验评估既昂贵又耗时,限制了数据的可用性。本研究采用线性判别分析(LDA)和决策树(DT),结合二维自相关和k组分析(ARKA)描述符的残差,构建定量构效关系(QSAR)模型,将oh -多氯联苯分类为雌激素受体(ERα和ERβ)的激动剂或非激动剂。对于ERα数据集,使用2D自相关描述符(模型I)开发的LDA模型的训练集、测试集和交叉验证集准确率分别为89.2%、84.0%和88.0%;使用2D自相关描述符构建的DT模型分别为89.2%、72.0%和84.9%(模型II);基于arka的模型(模型V)分别为89.2%、80.0%和87.0%。模型I、II和V的AUC-ROC值分别为0.959、0.903和0.954。对于ERβ数据集,使用2D自相关描述符构建的LDA模型(模型III),训练集、测试集和交叉验证集的准确率分别为90.5%、84.0%和87.9%;使用2D自相关描述符构建的DT模型分别为89.2%、68.0%和83.9%(模型IV);基于arka的模型(模型VI)分别为87.8%、80.0%和84.9%。模型三、模型四、模型六的AUC-ROC分别为0.966、0.892、0.945。总体而言,本文中报道的QSAR模型为筛选oh - pcb的雌激素活性提供了可靠和有效的方法,为环境风险评估提供了有价值的工具,ARKA描述符是传统描述符的有效替代品。
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引用次数: 0
Toxicity identification evaluation techniques isolate zinc and 6PPD-Q as causes of acute lethality to rainbow trout in road runoff. 毒性鉴定评价技术分离出锌和6PPD-Q是道路径流中虹鳟鱼急性致死的原因。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf269
Josh A Baker, Ian Cronshaw, Joseph Monaghan, Angelina Jaeger, Howard C Bailey, Erik T Krogh

The buildup of pollutants on impervious surfaces, and their subsequent flush into the environment within stormwater, could worsen with expected increases in prolonged dry periods and extreme rain events due to climate change. As such, the monitoring and treatment of urban stormwaters is becoming a high priority. Of particular interest is road runoff in urban areas, which has been found to be acutely lethal to salmonids and frequently contains elevated concentrations of metals and organic contaminants. In this study, samples of road runoff were collected in the Metro Vancouver area of British Columbia, Canada, and assessed for acute lethality to rainbow trout (Oncorhynchus mykiss). Three of the four stormwaters tested exhibited 100% mortality in the 96-hr test. Stormwater toxicity was demonstrated to be reduced by treatment in a rain garden. Phase I Toxicity Identification Evaluation (TIE) techniques initially identified a metal as the cause of toxicity in one stormwater, which was determined to be zinc after Phase II/III TIE testing. The second stormwater sample revealed an organic constituent to be responsible for toxicity, and subsequent TIE testing implicated N-(1,3-dimethylbutyl)-N'-phenyl-p-phenylenediamine-quinone (6PPD-Q). The potential contribution of 6PPD-Q to toxicity was assessed by performing TIE techniques on a standard solution of 6PPD-Q in parallel with the stormwater. Chemical analysis of 6PPD-Q using Condensed-Phase Membrane Introduction Mass Spectrometry was used to support toxicity assessments. This is the first study to use the TIE approach to provide a toxicity profile for 6PPD-Q.

在不透水的表面上积聚的污染物,以及它们随后随雨水进入环境的情况,可能会恶化,因为气候变化导致的长期干旱期和极端降雨事件预计会增加。因此,监测和处理城市雨水正成为一个高度优先事项。特别令人感兴趣的是城市地区的道路径流,这已被发现对鲑鱼具有严重致命性,并且经常含有高浓度的金属和有机污染物。在这项研究中,收集了加拿大不列颠哥伦比亚省大温哥华地区的道路径流样本,并评估了虹鳟(Oncorhynchus mykiss)的急性致死率。在96小时的测试中,四次暴雨中有三次的死亡率为100%。经雨水花园处理,雨水毒性已被证明降低。第一阶段的毒性鉴定评估(TIE)技术最初确定了一种金属是一种雨水中的毒性原因,经过第二/第三阶段的TIE测试,确定该金属是锌。第二个雨水样本揭示了一种有机成分是毒性的原因,随后的TIE测试涉及N-(1,3-二甲基丁基)-N'-苯基-对苯二胺醌(6PPD-Q)。6PPD-Q对毒性的潜在贡献是通过对6PPD-Q标准溶液与雨水并行执行TIE技术来评估的。采用冷凝相膜引入质谱(CP-MIMS)对6PPD-Q进行化学分析,以支持毒性评估。这是第一个使用TIE方法提供6PPD-Q毒性概况的研究。
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引用次数: 0
Study of the green microalga Chlorella sorokiniana for the removal of nutrients and multiple antibiotics in wastewater treatment. 绿微藻小球藻去除污水处理中营养物及多种抗生素的研究。
IF 2.8 4区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2026-01-01 DOI: 10.1093/etojnl/vgaf235
Ornrumpha Sethanunt, Thierry Tonon, J Brett Sallach, James P J Chong

Obtaining clean water is a global priority, as emphasized by the United Nations Sustainable Development Goal 6, which aims to ensure availability and sustainable management of water and sanitation for all. Pharmaceutical pollutants are becoming more prevalent in aquatic environments, triggering public health concerns, negative environmental impacts, and the development of antibiotic resistance. Microalgae hold great potential for bioremediation of antibiotics, although most of the studies to date supporting these observations rely on conditions where artificial wastewater contained one or a few antibiotics. In this study, Chlorella sorokiniana was used to assess the removal of a mixture of 10 antibiotics selected and tested considering environmentally relevant antibiotic concentrations based on data from the National Health Service (United Kingdom). The selected antibiotics had a risk quotient > 1 as calculated by the ratio of predicted environmental concentration (PEC) to predicted no effect concentration. The experimental antibiotic concentration tested for each antibiotic corresponded to their PEC values. After 19 days of incubation, the β-lactam class (amoxicillin, penicillin V, cephalexin) showed the highest percentage of removal (51-85), followed by trimethoprim (24), oxytetracycline (6), metronidazole (6), and sulfamethoxazole (2). Different mechanisms, that is, biodegradation, photodegradation, bioadsorption, and bioaccumulation, were involved at variable range. Increase in algal biomass was observed concomitantly to decrease in the concentration of the tested antibiotics, suggesting their use as a carbon source for cellular growth. In addition, levels of dissolved ammonium, nitrate, phosphate, and chemical oxygen demand, decreased by 88%, 22%, 100%, and 10%, respectively. Our study confirmed the ability of C. sorokiniana to biodegrade antibiotics while also effectively reducing key nutrient loadings.

正如联合国可持续发展目标6所强调的那样,获得清洁水是一项全球优先事项,该目标旨在确保人人享有水和卫生设施并对其进行可持续管理。药物污染物在水生环境中变得越来越普遍,引发了公共卫生问题、负面环境影响和抗生素耐药性的发展。微藻在抗生素的生物修复方面具有巨大的潜力,尽管迄今为止支持这些观察结果的大多数研究依赖于人工废水中含有一种或几种抗生素的条件。在本研究中,利用小球藻来评估10种抗生素混合物的去除效果,这些抗生素是根据英国国家卫生服务(NHS)的数据选择和测试的,考虑了与环境相关的抗生素浓度。通过预测环境浓度(PEC)与预测无效应浓度(PNEC)之比计算所选抗生素的风险商> 1。每种抗生素的实验抗生素浓度与它们的PEC值相对应。培养19 d后,β-内酰胺类(阿莫西林、青霉素V、头孢氨苄)的去除率最高(51 ~ 85),其次是甲氧苄啶(24)、土霉素(6)、甲硝唑(6)、磺胺甲恶唑(2)。不同的机制,即生物降解,光降解,生物吸附和生物积累,涉及不同的范围。藻类生物量的增加伴随着抗生素浓度的降低,这表明抗生素可以作为细胞生长的碳源。此外,溶解NH4+、NO3-、PO43-和COD(化学需氧量)水平分别下降了88、22、100和10%。我们的研究证实了C. sorokiniana生物降解抗生素的能力,同时也有效地减少了关键的营养负荷。
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Environmental Toxicology and Chemistry
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