Pu Xia,Pingping Wang,Shengnan Liu,Ying Peng,Xiao Gou,Haoyue Tan,Jing Guo,Wei Shi,John K Colbourne,John P Giesy,Xiaowei Zhang
Omics-based evaluation of neurotoxicants is challenged by limited ability to translate molecular signals into phenotypic effects. We developed an Adverse Outcome Pathway (AOP) network-based framework to interpret concentration-dependent transcriptomics in zebrafish embryos in relation to behavioral outcomes. An annotation of key events (KEs) to zebrafish molecular pathways was curated to enable mapping of zebrafish transcriptomics to the AOP network. Concentration-dependent transcriptomics of 24 environmental chemicals identified concentration-responsive KEs (CRKEs) that differentiated neurotoxic from non-neurotoxic compounds. Transcriptomic points of departure (tPOD) were significantly correlated with behavioral apical POD (aPOD) (R2 = 0.539, P < 0.01), indicating the potential for predicting tPOD from transcriptomics. Time- and concentration-dependent transcriptomics of five model chemicals identified 12 time-responsive KEs (TRKEs) across four developmental stages. Partial least-squares regression integrating neurotoxicity-relevant CRKEs and TRKEs showed the best performance to estimate aPOD (slope = 0.70, R2 = 0.64, RMSE = 0.9, P = 1.30 × 10-5). External validation using published fish transcriptomics data showed that estimated aPOD values from 8 of 14 chemicals were within 1 order of magnitude of measured aPOD. The findings support AOP network-guided omics analysis as a promising approach for quantitative neurotoxicity assessment, contributing to the use of omics into new approach methodologies (NAMs).
基于组学的神经毒物评估受到将分子信号转化为表型效应的有限能力的挑战。我们开发了一个基于网络的不良结果通路（AOP）框架来解释斑马鱼胚胎中与行为结果相关的浓度依赖性转录组学。对斑马鱼分子通路的关键事件（KEs）进行了注释，使斑马鱼转录组学能够映射到AOP网络。24种环境化学物质的浓度依赖性转录组学鉴定出了浓度响应性KEs (CRKEs)，可区分神经毒性和非神经毒性化合物。转录组出发点（Transcriptomic points of departure, tPOD）与行为顶点POD （behavioral apical POD, aPOD）呈极显著相关（R2 = 0.539, P < 0.01），表明转录组学可以预测tPOD。五种模式化学物质的时间和浓度依赖性转录组学鉴定出了跨越四个发育阶段的12种时间响应性KEs （TRKEs）。综合神经毒性相关CRKEs和TRKEs的偏最小二乘回归估计aPOD的效果最好（斜率= 0.70,R2 = 0.64, RMSE = 0.9, P = 1.30 × 10-5）。利用已发表的鱼类转录组学数据进行的外部验证表明，14种化学物质中有8种的aPOD估计值与测量的aPOD值在1个数量级以内。这些发现支持AOP网络引导组学分析作为定量神经毒性评估的一种有前途的方法，有助于将组学用于新的方法方法（NAMs）。
{"title":"Network-Based Assessment of Environmental Neurotoxicants Using High-Throughput Transcriptomics in Zebrafish Embryos.","authors":"Pu Xia,Pingping Wang,Shengnan Liu,Ying Peng,Xiao Gou,Haoyue Tan,Jing Guo,Wei Shi,John K Colbourne,John P Giesy,Xiaowei Zhang","doi":"10.1021/acs.est.5c11994","DOIUrl":"https://doi.org/10.1021/acs.est.5c11994","url":null,"abstract":"Omics-based evaluation of neurotoxicants is challenged by limited ability to translate molecular signals into phenotypic effects. We developed an Adverse Outcome Pathway (AOP) network-based framework to interpret concentration-dependent transcriptomics in zebrafish embryos in relation to behavioral outcomes. An annotation of key events (KEs) to zebrafish molecular pathways was curated to enable mapping of zebrafish transcriptomics to the AOP network. Concentration-dependent transcriptomics of 24 environmental chemicals identified concentration-responsive KEs (CRKEs) that differentiated neurotoxic from non-neurotoxic compounds. Transcriptomic points of departure (tPOD) were significantly correlated with behavioral apical POD (aPOD) (R2 = 0.539, P < 0.01), indicating the potential for predicting tPOD from transcriptomics. Time- and concentration-dependent transcriptomics of five model chemicals identified 12 time-responsive KEs (TRKEs) across four developmental stages. Partial least-squares regression integrating neurotoxicity-relevant CRKEs and TRKEs showed the best performance to estimate aPOD (slope = 0.70, R2 = 0.64, RMSE = 0.9, P = 1.30 × 10-5). External validation using published fish transcriptomics data showed that estimated aPOD values from 8 of 14 chemicals were within 1 order of magnitude of measured aPOD. The findings support AOP network-guided omics analysis as a promising approach for quantitative neurotoxicity assessment, contributing to the use of omics into new approach methodologies (NAMs).","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"36 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073284","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Solar-driven interfacial evaporation (SDIE) has emerged as a promising solution for sustainable brine management and water purification. However, traditional SDIE systems face a trade-off between evaporation performance and salt resistance. Herein, we demonstrate that a novel functional group-mediated and nanoconfinement-engineered hydrogel composed of MXene and ionic covalent organic frameworks (iCOFs) effectively regulates both evaporation performance and salt resistance. The iCOFs with a high density of hydrophilic functional groups and nanoconfinement effect are found to simultaneously induce the disruption of hydrogen bonding networks and enhance cluster evaporation, achieving reduced evaporation enthalpy. The increased functional groups also facilitate both ion reverse diffusion and the Donnan effect, which effectively alleviates salt crystallization during long-term seawater desalination. This strategy leads to a 56% enhancement in evaporation rate (2.91 kg m-2 h-1 under 1 sun) of the optimized hydrogel. The evaporation performance remains stable in highly concentrated (20 wt %) saline and also during a 60 h continuous operation in seawater. In addition, functional group-mediated MXene/iCOFs hydrogels with a nanoconfinement effect exhibit a 99.99% removal rate for various water pollutants, including heavy metal ions, antibiotics, and dyes, while maintaining stable performance under extreme temperature conditions. This study offers a new strategy for designing programmable SDIE for future sustainable water treatment technology.
太阳能驱动的界面蒸发（SDIE）已经成为可持续盐水管理和水净化的一种有前途的解决方案。然而，传统的SDIE系统面临着蒸发性能和耐盐性之间的权衡。在此，我们证明了一种由MXene和离子共价有机框架（iCOFs）组成的新型官能团介导的纳米束缚工程水凝胶可以有效地调节蒸发性能和耐盐性。研究发现，具有高密度亲水性官能团和纳米约束效应的iCOFs可以同时诱导氢键网络的破坏和促进团簇蒸发，从而降低蒸发焓。官能团的增加也促进了离子的反向扩散和多南效应，有效缓解了长期海水淡化过程中盐的结晶。该策略使优化后的水凝胶的蒸发速率提高了56%（1个太阳下蒸发速率为2.91 kg m-2 h-1）。蒸发性能在高浓度（20% wt %）盐水中保持稳定，在海水中连续运行60小时也保持稳定。此外，具有纳米限制效应的官能团介导的MXene/iCOFs水凝胶对重金属离子、抗生素和染料等多种水污染物的去除率达到99.99%，并且在极端温度条件下仍保持稳定的性能。该研究为未来可持续水处理技术的可编程SDIE设计提供了一种新的策略。
{"title":"Functional Group-Mediated Evaporation Enthalpy and Nanoconfinement-Engineered Water Clusters' Synergy in Versatile MXene/iCOFs Hydrogels for Salt-Resistant Solar-Driven Interfacial Evaporation.","authors":"Yufan Ding,Qingqing Pan,Haowen Li,Jun Ma,Xiao Sui","doi":"10.1021/acs.est.5c14109","DOIUrl":"https://doi.org/10.1021/acs.est.5c14109","url":null,"abstract":"Solar-driven interfacial evaporation (SDIE) has emerged as a promising solution for sustainable brine management and water purification. However, traditional SDIE systems face a trade-off between evaporation performance and salt resistance. Herein, we demonstrate that a novel functional group-mediated and nanoconfinement-engineered hydrogel composed of MXene and ionic covalent organic frameworks (iCOFs) effectively regulates both evaporation performance and salt resistance. The iCOFs with a high density of hydrophilic functional groups and nanoconfinement effect are found to simultaneously induce the disruption of hydrogen bonding networks and enhance cluster evaporation, achieving reduced evaporation enthalpy. The increased functional groups also facilitate both ion reverse diffusion and the Donnan effect, which effectively alleviates salt crystallization during long-term seawater desalination. This strategy leads to a 56% enhancement in evaporation rate (2.91 kg m-2 h-1 under 1 sun) of the optimized hydrogel. The evaporation performance remains stable in highly concentrated (20 wt %) saline and also during a 60 h continuous operation in seawater. In addition, functional group-mediated MXene/iCOFs hydrogels with a nanoconfinement effect exhibit a 99.99% removal rate for various water pollutants, including heavy metal ions, antibiotics, and dyes, while maintaining stable performance under extreme temperature conditions. This study offers a new strategy for designing programmable SDIE for future sustainable water treatment technology.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"3 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Rong Zhang,Baodi Chang,Haoyue Tan,Jing Guo,Xiaowei Zhang,Hongxia Yu,Wei Shi
Although qualitative predictions of endocrine-disrupting chemicals (EDCs) are well established, quantitative high-throughput models remain underdeveloped due to data heterogeneity and mechanistic complexity. To address this gap, we developed a mechanistically informed hierarchical framework that quantitatively predicts estrogenic, androgenic, and thyroid (EAT)-disruption activities. The framework consists of three key components: data refinement, fragment-based mechanistic clustering, and cluster-specific quantitative modeling. First, we eliminated 20.12% of false positives and 41.54% of false negatives through a five-step curation, resulting in a high-confidence data set for model development. Next, the predictive model couples a classifier that assigns EAT activity modes with an ensemble regressor for potency estimation. Compared to conventional models, Modeling based on high-confidence data sets and mechanism classification demonstrates improved performance (R2 = 0.72-0.78, RMSE = 0.22-0.48 log10(μM)). Mechanistic insights from molecular simulations across EAT receptors revealed that potent agonists feature aromatic cores with polar substituents, stabilizing hydrogen-bond networks and promoting helix 12 (H12) activation. In contrast, potent antagonists exhibit flexible chains or rigid polycyclic scaffolds that disrupt H12 orientation. Altogether, we offer a next-generation strategy for interpretable and accurate endocrine potency prediction.
{"title":"Mechanism Based Hierarchical Machine Learning for High-Throughput Quantitative Prediction of Estrogenic, Androgenic, and Thyroid Disruption Activities.","authors":"Rong Zhang,Baodi Chang,Haoyue Tan,Jing Guo,Xiaowei Zhang,Hongxia Yu,Wei Shi","doi":"10.1021/acs.est.5c13227","DOIUrl":"https://doi.org/10.1021/acs.est.5c13227","url":null,"abstract":"Although qualitative predictions of endocrine-disrupting chemicals (EDCs) are well established, quantitative high-throughput models remain underdeveloped due to data heterogeneity and mechanistic complexity. To address this gap, we developed a mechanistically informed hierarchical framework that quantitatively predicts estrogenic, androgenic, and thyroid (EAT)-disruption activities. The framework consists of three key components: data refinement, fragment-based mechanistic clustering, and cluster-specific quantitative modeling. First, we eliminated 20.12% of false positives and 41.54% of false negatives through a five-step curation, resulting in a high-confidence data set for model development. Next, the predictive model couples a classifier that assigns EAT activity modes with an ensemble regressor for potency estimation. Compared to conventional models, Modeling based on high-confidence data sets and mechanism classification demonstrates improved performance (R2 = 0.72-0.78, RMSE = 0.22-0.48 log10(μM)). Mechanistic insights from molecular simulations across EAT receptors revealed that potent agonists feature aromatic cores with polar substituents, stabilizing hydrogen-bond networks and promoting helix 12 (H12) activation. In contrast, potent antagonists exhibit flexible chains or rigid polycyclic scaffolds that disrupt H12 orientation. Altogether, we offer a next-generation strategy for interpretable and accurate endocrine potency prediction.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"281 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073281","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Zarak Mahmood,Yuting Yuan,Shikha Garg,T David Waite
The performance of pure (i.e., noncatalytic) ozonation and heterogeneous catalytic ozonation (HCO) in treating a range of real wastewater streams with varying organic compositions is investigated in this study. While HCO is often proposed as a promising approach for treating real wastewaters, our results reveal that its benefits over ozonation are very case-specific. Wastewaters rich in fulvic/humic-like, surface-active organic compounds, such as membrane concentrate, respond favorably to HCO, showing improved ozone utilization compared to the pure ozonation process. In contrast, coking wastewater shows minimal improvement with HCO compared to pure ozonation, indicating a limited catalytic benefit in such matrices. Similarly, alkaline electroplating wastewaters rich in ozone reactive compounds showed no improvement in organic removal by HCO compared to that of pure ozonation. In contrast, acidic Fenton-treated chemical wastewaters showed significant improvement in organic removal by HCO compared to pure ozonation due to limited hydroxyl radical (HO•) generation via ozone self-decay under these conditions. Overall, our findings suggest that the inherent reactivity of ozone and sustained HO• generation on ozone decay, particularly under alkaline conditions that are typical of many wastewaters, diminish the added value of the catalyst.
{"title":"Catalytic versus Pure Ozonation: Insights from Real Wastewater Treatment Performance.","authors":"Zarak Mahmood,Yuting Yuan,Shikha Garg,T David Waite","doi":"10.1021/acs.est.5c15666","DOIUrl":"https://doi.org/10.1021/acs.est.5c15666","url":null,"abstract":"The performance of pure (i.e., noncatalytic) ozonation and heterogeneous catalytic ozonation (HCO) in treating a range of real wastewater streams with varying organic compositions is investigated in this study. While HCO is often proposed as a promising approach for treating real wastewaters, our results reveal that its benefits over ozonation are very case-specific. Wastewaters rich in fulvic/humic-like, surface-active organic compounds, such as membrane concentrate, respond favorably to HCO, showing improved ozone utilization compared to the pure ozonation process. In contrast, coking wastewater shows minimal improvement with HCO compared to pure ozonation, indicating a limited catalytic benefit in such matrices. Similarly, alkaline electroplating wastewaters rich in ozone reactive compounds showed no improvement in organic removal by HCO compared to that of pure ozonation. In contrast, acidic Fenton-treated chemical wastewaters showed significant improvement in organic removal by HCO compared to pure ozonation due to limited hydroxyl radical (HO•) generation via ozone self-decay under these conditions. Overall, our findings suggest that the inherent reactivity of ozone and sustained HO• generation on ozone decay, particularly under alkaline conditions that are typical of many wastewaters, diminish the added value of the catalyst.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"1 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073290","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Elliot Romano, Binod Koirala, Martin Rüdisüli, Sven Eggimann
{"title":"Correction to \"Emission-Responsive Charging of Electric Cars and Carsharing to Improve the Security of Electricity Supply for Switzerland\".","authors":"Elliot Romano, Binod Koirala, Martin Rüdisüli, Sven Eggimann","doi":"10.1021/acs.est.5c18347","DOIUrl":"https://doi.org/10.1021/acs.est.5c18347","url":null,"abstract":"","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":" ","pages":""},"PeriodicalIF":11.3,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146083649","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Microplastics (MPs) are pervasive in river sediments, where surface biofilm formation critically regulates their environmental behavior. However, mechanisms governing the dynamic MP-biofilm interactions remain underexplored. A 60-day in situ sediment incubation, coupled with continuous monitoring of MP physicochemical properties and microbial community characteristics, was conducted to elucidate the interactions between biofilms and MPs with different polymer types (poly(ethylene terephthalate) (PET), polypropylene (PP), and poly(vinyl chloride) (PVC)) and preaging experiences. In the early stage, biofilm development was promoted by oxygen-containing functional groups (OFGs) of MPs, whereas the additive release from PVC suppressed microbial enrichment. Eventually, both the biofilm biomass and extracellular polymeric substances depended strongly on polymer types. Over time, biofilms progressively modified MP surface chemistry, increasing the O/C ratios of PVC, PET, and PP by 0.41, 0.26, and 0.11, respectively, by producing extracellular proteins, especially plastic-degrading enzymes. Therefore, a temporal feedback loop formed in which MP-derived OFGs acted as nutrient sources, reshaping the microbial community structure and selectively enriching plastic-degrading taxa and enzymes, which in turn accelerated MP degradation. This study provides novel insights into the dynamic reciprocal interactions between MP surface chemistry and biofilm communities and advances our understanding of the mechanisms controlling the ecotoxicity and fate of MPs in river sediments.
{"title":"Temporal Feedback Loop Drives the Coevolutionary Fate of Microplastics and Surface Biofilms in River Sediments.","authors":"Wenqiu Li,Yihan Chi,Yixin Liao,Siqing Wang,Hongmei Cao,Lijuan Wang,Ruoqun Yan,Ruimin Qi,Yuanyuan Tang","doi":"10.1021/acs.est.5c16334","DOIUrl":"https://doi.org/10.1021/acs.est.5c16334","url":null,"abstract":"Microplastics (MPs) are pervasive in river sediments, where surface biofilm formation critically regulates their environmental behavior. However, mechanisms governing the dynamic MP-biofilm interactions remain underexplored. A 60-day in situ sediment incubation, coupled with continuous monitoring of MP physicochemical properties and microbial community characteristics, was conducted to elucidate the interactions between biofilms and MPs with different polymer types (poly(ethylene terephthalate) (PET), polypropylene (PP), and poly(vinyl chloride) (PVC)) and preaging experiences. In the early stage, biofilm development was promoted by oxygen-containing functional groups (OFGs) of MPs, whereas the additive release from PVC suppressed microbial enrichment. Eventually, both the biofilm biomass and extracellular polymeric substances depended strongly on polymer types. Over time, biofilms progressively modified MP surface chemistry, increasing the O/C ratios of PVC, PET, and PP by 0.41, 0.26, and 0.11, respectively, by producing extracellular proteins, especially plastic-degrading enzymes. Therefore, a temporal feedback loop formed in which MP-derived OFGs acted as nutrient sources, reshaping the microbial community structure and selectively enriching plastic-degrading taxa and enzymes, which in turn accelerated MP degradation. This study provides novel insights into the dynamic reciprocal interactions between MP surface chemistry and biofilm communities and advances our understanding of the mechanisms controlling the ecotoxicity and fate of MPs in river sediments.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"30 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073291","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Miriam L Diamond,Gabriel Sigmund,Marlene Ågerstrand,Michael G Bertram,Alex T Ford,Rainer Lohmann,Andreas Schäffer,Maria Clara V M Starling,Anna Soehl,Noriyuki Suzuki,Penny Vlahos,Marta Venier,Martin Scheringer
{"title":"A Call to Action: Engaging with the Intergovernmental Science-Policy Panel on Chemicals, Waste and Pollution.","authors":"Miriam L Diamond,Gabriel Sigmund,Marlene Ågerstrand,Michael G Bertram,Alex T Ford,Rainer Lohmann,Andreas Schäffer,Maria Clara V M Starling,Anna Soehl,Noriyuki Suzuki,Penny Vlahos,Marta Venier,Martin Scheringer","doi":"10.1021/acs.est.5c18169","DOIUrl":"https://doi.org/10.1021/acs.est.5c18169","url":null,"abstract":"","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"82 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
The high incidence of respiratory diseases has driven a substantial increase in the use of antitussive dextromethorphan (DXM), leading to the frequent detection of its primary human metabolite, dextrorphan (DXO), in aquatic environments. However, existing research has paid limited attention to the toxic effects of DXM and its metabolite, DXO, on fish. In this study, zebrafish embryos were exposed to DXM and DXO at concentrations ranging from 100 to 10,000 ng/L for 72 hours post-fertilization (hpf) to evaluate their impacts on cardiac function and elucidate underlying molecular mechanisms using network toxicology and molecular dynamics approaches. Bradycardia was observed at 48 hpf. By 72 hpf, key cardiac morphometric and functional indices, as well as blood flow, exhibited concentration-dependent suppression after exposure to DXM and DXO. Network toxicology analysis revealed that the beta2-adrenergic receptor (adrb2a) was the key common target in cardiomyocyte adrenergic signaling for both compounds. Further observations included significant downregulation of adrb2a, decreased levels of beta2-adrenergic receptor and protein kinase A proteins, and phenotypic rescue after coexposure to adrenaline. The binding energies of DXM and DXO to the beta2-adrenergic receptor were -23.45 and -25.76 kcal/mol, respectively. These findings confirmed that DXM and DXO impaired cardiomyocyte function via suppression of beta2-adrenergic receptor expression, leading to bradycardia. It is worth noting that DXO exhibited stronger cardiac toxicity than its parent compound DXM, and its ecological toxicity warrants special attention and further evaluation.
{"title":"Mechanistic Insights into the Cardiotoxic Effects of Dextromethorphan and Its Metabolite Dextrorphan in Zebrafish Using Network Toxicology and Molecular Dynamics.","authors":"Zhou Cao,Zhu Liang,Jin-Ge Zhang,Dong-Dong Ma,Yun-Ze Meng,Zhi-Jie Lu,Wen-Jun Shi,Guang-Guo Ying","doi":"10.1021/acs.est.5c16284","DOIUrl":"https://doi.org/10.1021/acs.est.5c16284","url":null,"abstract":"The high incidence of respiratory diseases has driven a substantial increase in the use of antitussive dextromethorphan (DXM), leading to the frequent detection of its primary human metabolite, dextrorphan (DXO), in aquatic environments. However, existing research has paid limited attention to the toxic effects of DXM and its metabolite, DXO, on fish. In this study, zebrafish embryos were exposed to DXM and DXO at concentrations ranging from 100 to 10,000 ng/L for 72 hours post-fertilization (hpf) to evaluate their impacts on cardiac function and elucidate underlying molecular mechanisms using network toxicology and molecular dynamics approaches. Bradycardia was observed at 48 hpf. By 72 hpf, key cardiac morphometric and functional indices, as well as blood flow, exhibited concentration-dependent suppression after exposure to DXM and DXO. Network toxicology analysis revealed that the beta2-adrenergic receptor (adrb2a) was the key common target in cardiomyocyte adrenergic signaling for both compounds. Further observations included significant downregulation of adrb2a, decreased levels of beta2-adrenergic receptor and protein kinase A proteins, and phenotypic rescue after coexposure to adrenaline. The binding energies of DXM and DXO to the beta2-adrenergic receptor were -23.45 and -25.76 kcal/mol, respectively. These findings confirmed that DXM and DXO impaired cardiomyocyte function via suppression of beta2-adrenergic receptor expression, leading to bradycardia. It is worth noting that DXO exhibited stronger cardiac toxicity than its parent compound DXM, and its ecological toxicity warrants special attention and further evaluation.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"143 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146073375","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Wenqian Xu,Yu-De Pei,Taylor M W Li,Joshua Bennett-Williams,Ruixian Sun,Shara K K Leung,Masayuki Ushio,Alex S J Wyatt,Charmaine C M Yung
Urban coastal ecosystems face increasing anthropogenic pressures and environmental variability, yet the consequences for multitrophic biodiversity and ecosystem networks remain poorly resolved. Here, we combine environmental DNA metabarcoding, visual surveys, flow cytometry, and environmental measurements to examine the spatiotemporal dynamics of marine metazoans, protists, and prokaryotes across estuarine, transitional, and oceanic habitats in Hong Kong's urbanized coastal waters. Using permutational multivariate analysis of variance (PERMANOVA), we demonstrate that environmental control over community composition weakens systematically at higher trophic levels. The variance explained by seasonal and spatial interaction was highest for prokaryotes (R2 = 0.76) and protists (0.59), but notably lower for benthic fauna (0.41) and bony fish (0.32). Co-occurrence network analysis revealed that oceanic habitats, dominated by heterotrophic prokaryotes, omnivorous fish, and hard corals, supported the most complex and stable multitrophic networks, with an average complexity of 0.54 compared to estuarine (0.23) and transitional habitats (0.29). Structural equation modeling further revealed habitat-specific drivers: temperature exerted the strongest direct effect in estuarine habitats (>0.44), while biotic interactions involving primary producers played a dominant role in oceanic habitats (direct effect >0.28). In contrast, transitional habitats lacked significant environmental or biotic drivers, indicating a system in flux where community dynamics are likely governed by complex variables beyond standard environmental or biotic regulation. These findings demonstrate the gradient-dependent interplay of environmental filtering and biotic regulation in shaping coastal ecosystem stability. Our results also highlight the value of an integrated eDNA-based framework for monitoring biodiversity and ecosystem change, providing insights for the management of urban marine environments under global change.
{"title":"Environmental Filtering Weakens with Trophic Level in Urban Coastal Ecosystems.","authors":"Wenqian Xu,Yu-De Pei,Taylor M W Li,Joshua Bennett-Williams,Ruixian Sun,Shara K K Leung,Masayuki Ushio,Alex S J Wyatt,Charmaine C M Yung","doi":"10.1021/acs.est.5c08142","DOIUrl":"https://doi.org/10.1021/acs.est.5c08142","url":null,"abstract":"Urban coastal ecosystems face increasing anthropogenic pressures and environmental variability, yet the consequences for multitrophic biodiversity and ecosystem networks remain poorly resolved. Here, we combine environmental DNA metabarcoding, visual surveys, flow cytometry, and environmental measurements to examine the spatiotemporal dynamics of marine metazoans, protists, and prokaryotes across estuarine, transitional, and oceanic habitats in Hong Kong's urbanized coastal waters. Using permutational multivariate analysis of variance (PERMANOVA), we demonstrate that environmental control over community composition weakens systematically at higher trophic levels. The variance explained by seasonal and spatial interaction was highest for prokaryotes (R2 = 0.76) and protists (0.59), but notably lower for benthic fauna (0.41) and bony fish (0.32). Co-occurrence network analysis revealed that oceanic habitats, dominated by heterotrophic prokaryotes, omnivorous fish, and hard corals, supported the most complex and stable multitrophic networks, with an average complexity of 0.54 compared to estuarine (0.23) and transitional habitats (0.29). Structural equation modeling further revealed habitat-specific drivers: temperature exerted the strongest direct effect in estuarine habitats (>0.44), while biotic interactions involving primary producers played a dominant role in oceanic habitats (direct effect >0.28). In contrast, transitional habitats lacked significant environmental or biotic drivers, indicating a system in flux where community dynamics are likely governed by complex variables beyond standard environmental or biotic regulation. These findings demonstrate the gradient-dependent interplay of environmental filtering and biotic regulation in shaping coastal ecosystem stability. Our results also highlight the value of an integrated eDNA-based framework for monitoring biodiversity and ecosystem change, providing insights for the management of urban marine environments under global change.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"14 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146088999","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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}
Source apportionment of ubiquitous organophosphate esters (OPEs) in soil is complicated by high spatial heterogeneity, which often causes conventional Positive Matrix Factorization (PMF) models to produce unstable and physically implausible solutions, particularly in pollution hotspots such as the Yangtze River Delta (YRD). To overcome this limitation, we developed a novel spatially constrained PMF (SC-PMF) model that incorporates geographical information as a penalty term within the PMF objective function. Applied to a comprehensive soil data set from the YRD, the SC-PMF model successfully resolved six robust and physically plausible sources, in stark contrast to the conventional PMF, which failed to produce a stable solution under Bootstrap analysis. The identified sources included not only expected inputs such as agricultural activities but also a suite of previously obscured pathways, revealing contributions from consumer plastic packaging, long-range atmospheric deposition, and informal waste disposal. Critically, the model also decoupled distinct industrial processes by differentiating primary manufacturing emissions from secondary pollution caused by the degradation of industrial additives. These results prove that incorporating spatial constraints is a powerful strategy for resolving source ambiguity in heterogeneous media. The SC-PMF model thus offers significant methodological advancement for accurately tracing contaminant pathways and informing targeted pollution management.
{"title":"Spatially Constrained Source Apportionment of Soil Organophosphate Esters: Uncovering Hidden Pollution Pathways in the Yangtze River Delta, China.","authors":"Wenhao Zhao,Yu Wang,Yifei Gao,Yajing Qu,Yijun Yao,Hongwen Sun,Jin Ma,Fengchang Wu","doi":"10.1021/acs.est.5c13780","DOIUrl":"https://doi.org/10.1021/acs.est.5c13780","url":null,"abstract":"Source apportionment of ubiquitous organophosphate esters (OPEs) in soil is complicated by high spatial heterogeneity, which often causes conventional Positive Matrix Factorization (PMF) models to produce unstable and physically implausible solutions, particularly in pollution hotspots such as the Yangtze River Delta (YRD). To overcome this limitation, we developed a novel spatially constrained PMF (SC-PMF) model that incorporates geographical information as a penalty term within the PMF objective function. Applied to a comprehensive soil data set from the YRD, the SC-PMF model successfully resolved six robust and physically plausible sources, in stark contrast to the conventional PMF, which failed to produce a stable solution under Bootstrap analysis. The identified sources included not only expected inputs such as agricultural activities but also a suite of previously obscured pathways, revealing contributions from consumer plastic packaging, long-range atmospheric deposition, and informal waste disposal. Critically, the model also decoupled distinct industrial processes by differentiating primary manufacturing emissions from secondary pollution caused by the degradation of industrial additives. These results prove that incorporating spatial constraints is a powerful strategy for resolving source ambiguity in heterogeneous media. The SC-PMF model thus offers significant methodological advancement for accurately tracing contaminant pathways and informing targeted pollution management.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"93 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2026-01-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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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