Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137260
Thora Lieke, Verena Jung-Schroers, Alexander Rebl
Human activities and climate change have significantly increased humic substances in freshwater ecosystems over the last few decades. This increase is particularly concerning during seasonal changes or after heavy rainfall, when concentrations can easily increase up to tenfold. This phenomenon, known as "browning," has unknown consequences for aquatic organisms. This study is the first to determine the effects of increasing humic substance concentrations on the transcriptomic and structural responses in the gills of rainbow trout (Oncorhynchus mykiss). Overall, 27 genes mainly involved in xenobiotic metabolism (cyp1a3, cyp1b1, pik3r6), immune response (rgs2, dll1, ccl19, acod1), and mucosal glycoprotein expression (muc2, prg4) were upregulated. No significant alterations were noted in gill morphology, although the molecular data strongly indicated a proinflammatory response. Our results highlight the risks posed by increasing humic substance concentrations for fish and aquatic ecosystems and emphasize the urgent need to implement effective monitoring and resource management strategies to address browning waters.
{"title":"Freshwater Browning as a Hidden Threat – Transcriptomic Responses in Fish Gills Exposed to Fulvic Acid","authors":"Thora Lieke, Verena Jung-Schroers, Alexander Rebl","doi":"10.1016/j.jhazmat.2025.137260","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137260","url":null,"abstract":"Human activities and climate change have significantly increased humic substances in freshwater ecosystems over the last few decades. This increase is particularly concerning during seasonal changes or after heavy rainfall, when concentrations can easily increase up to tenfold. This phenomenon, known as \"browning,\" has unknown consequences for aquatic organisms. This study is the first to determine the effects of increasing humic substance concentrations on the transcriptomic and structural responses in the gills of rainbow trout (<em>Oncorhynchus mykiss</em>). Overall, 27 genes mainly involved in xenobiotic metabolism (<em>cyp1a3, cyp1b1, pik3r6</em>), immune response (<em>rgs2, dll1, ccl19, acod1</em>), and mucosal glycoprotein expression (<em>muc2, prg4</em>) were upregulated. No significant alterations were noted in gill morphology, although the molecular data strongly indicated a proinflammatory response. Our results highlight the risks posed by increasing humic substance concentrations for fish and aquatic ecosystems and emphasize the urgent need to implement effective monitoring and resource management strategies to address browning waters.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"27 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986906","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 presence of PbO in the flue gas can poison FeCe catalyst, reducing its denitrification efficiency. In this work, the mechanism of PbO poisoning of FeCe catalyst, along with the effects of W and Co co-doping on the NO oxidation performance and PbO resistance of FeCe catalyst were investigated. The SBET of FeCe catalyst decreased and the crystallinity increased obviously after PbO poisoning. PbO could destroy the Bronsted acid sites and redox properties of FeCe catalyst. In addition, the conversion of NO to NO2 molecules and monodentate nitrites was also inhibited on FeCe catalyst. The NO conversion rate of the PWCo-FeCe catalyst reached 76% at 220 °C, with larger SBET and lower degree of crystallization compared to PbO-FeCe catalyst. Besides, the co-doping of W and Co facilitated the right shift of the Fe2+ + Ce4+ ↔ Fe3+ + Ce3+ redox cycle, leading to a higher ratio of Fe3+ and Ce3+. Moreover, incorporation of W and Co boosted the number of Brønsted acid sites and enhanced the formation of NO2 molecules and monodentate nitrite, which mitigated the suppressive effect of PbO on the NH3-SCR reaction. The FeCe and WCo-FeCe catalysts operated via E-R and L-H mechanisms, and PbO poisoning did not affect the established reaction pathways.
{"title":"Unveiling the effect of W and Co on PbO resistance over FeCe catalyst for low-temperature NH3-SCR of NO","authors":"Yuan She, Hao Meng, Zhenghua Shen, Wenkang Niu, Changqing Peng, Kai Li, Hongsheng Miao, Xiangdong Xing, Zhaohui Zhang","doi":"10.1016/j.jhazmat.2025.137221","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137221","url":null,"abstract":"The presence of PbO in the flue gas can poison FeCe catalyst, reducing its denitrification efficiency. In this work, the mechanism of PbO poisoning of FeCe catalyst, along with the effects of W and Co co-doping on the NO oxidation performance and PbO resistance of FeCe catalyst were investigated. The S<sub>BET</sub> of FeCe catalyst decreased and the crystallinity increased obviously after PbO poisoning. PbO could destroy the Bronsted acid sites and redox properties of FeCe catalyst. In addition, the conversion of NO to NO<sub>2</sub> molecules and monodentate nitrites was also inhibited on FeCe catalyst. The NO conversion rate of the PWCo-FeCe catalyst reached 76% at 220 °C, with larger S<sub>BET</sub> and lower degree of crystallization compared to PbO-FeCe catalyst. Besides, the co-doping of W and Co facilitated the right shift of the Fe<sup>2+</sup> + Ce<sup>4+</sup> ↔ Fe<sup>3+</sup> + Ce<sup>3+</sup> redox cycle, leading to a higher ratio of Fe<sup>3+</sup> and Ce<sup>3+</sup>. Moreover, incorporation of W and Co boosted the number of Brønsted acid sites and enhanced the formation of NO<sub>2</sub> molecules and monodentate nitrite, which mitigated the suppressive effect of PbO on the NH<sub>3</sub>-SCR reaction. The FeCe and WCo-FeCe catalysts operated via E-R and L-H mechanisms, and PbO poisoning did not affect the established reaction pathways.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"49 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986901","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}
Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137257
Jing Liu, Peizhi Tao, Beiting Su, Li Zheng, Yusen Lin, Xiaoling Zou, Hailing Yang, Wenbin Wu, Tiantuo Zhang, Hongtao Li
Cigarette smoke (CS) contributes to IL33 release and neutrophil inflammation in asthma. Neutrophil extracellular traps (NETs) are essential for neutrophil functions. However, the effect of IL33 on neutrophils in cigarette smokeexposure asthma remains unclear. We found that CS exposure led to lower lung function and a neutrophilrelated phenotype in asthma, characterized by elevated neutrophil and Th17 cell counts. Granulocytic airway inflammation was ablated by sST2, which blocked excessive IL33 release. Transcriptome analysis of mouse lungs revealed that IL33 enhanced NET formation in HDM/CStreated mice, which was further confirmed in our experimental asthma model and in asthma patients. NETs were associated with poor lung function and airway inflammation and directly facilitated monocytederived dendritic cell activation, further inducing Th2/Th17 polarization. Furthermore, we demonstrated a feedforward loop between NETs and neutrophil autophagy, both of which are dependent on reactive oxygen species (ROS) production and the mTOR-HIF-1α signaling pathway. Notably, IL33 knockout suppressed autophagy and NETs, whereas the autophagy agonist rapamycin reversed the inhibition of NETs by sST2 in a mTORdependent manner. Our findings revealed that the IL33/ST2 signaling pathway interacts with the neutrophil autophagymTOR-HIF-1α -NET pathway, ultimately aggravating Th2/Th17-related inflammation. These insights could lead to potential therapeutic targets for mitigating exacerbations in asthmatic patients who are exposed to CS.
{"title":"Interleukin-33 modulates NET formation via an autophagy-dependent manner to promote neutrophilic inflammation in cigarette smoke-exposure asthma","authors":"Jing Liu, Peizhi Tao, Beiting Su, Li Zheng, Yusen Lin, Xiaoling Zou, Hailing Yang, Wenbin Wu, Tiantuo Zhang, Hongtao Li","doi":"10.1016/j.jhazmat.2025.137257","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137257","url":null,"abstract":"Cigarette smoke (CS) contributes to IL33 release and neutrophil inflammation in asthma. Neutrophil extracellular traps (NETs) are essential for neutrophil functions. However, the effect of IL33 on neutrophils in cigarette smokeexposure asthma remains unclear. We found that CS exposure led to lower lung function and a neutrophilrelated phenotype in asthma, characterized by elevated neutrophil and Th17 cell counts. Granulocytic airway inflammation was ablated by sST2, which blocked excessive IL33 release. Transcriptome analysis of mouse lungs revealed that IL33 enhanced NET formation in HDM/CStreated mice, which was further confirmed in our experimental asthma model and in asthma patients. NETs were associated with poor lung function and airway inflammation and directly facilitated monocytederived dendritic cell activation, further inducing Th2/Th17 polarization. Furthermore, we demonstrated a feedforward loop between NETs and neutrophil autophagy, both of which are dependent on reactive oxygen species (ROS) production and the mTOR-HIF-1α signaling pathway. Notably, IL33 knockout suppressed autophagy and NETs, whereas the autophagy agonist rapamycin reversed the inhibition of NETs by sST2 in a mTORdependent manner. Our findings revealed that the IL33/ST2 signaling pathway interacts with the neutrophil autophagymTOR-HIF-1α -NET pathway, ultimately aggravating Th2/Th17-related inflammation. These insights could lead to potential therapeutic targets for mitigating exacerbations in asthmatic patients who are exposed to CS.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"5 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986908","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}
Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137228
Lingtong Li, Yue Jing, Jianbei Zhang, Jiaxiu Guo
This study investigates the critical relationship between the crystal phase, morphology, and photocatalytic activity of MnO2. The δ-MnO2 nanosheets, characterized by multiple exposed crystal planes forming junctions, exhibit optimized optical and electrical properties. Oxygen vacancy concentrations were observed in the order δ-MnO2 > γ-MnO2 > α-MnO2, with corresponding increases in band gap width from 1.38 eV (δ-MnO₂) to 1.68 eV (α-MnO₂). The δ-MnO2 nanosheets achieved over 80% NO removal efficiency and effectively suppressed the production of NO2 byproducts, outperforming α-MnO2 nanorods and γ-MnO2 nanospheres. The adsorption energy of O₂ followed the trend δ-MnO2 > γ-MnO2 > α-MnO2, while the adsorption energy of NO was lowest on δ-MnO2, facilitating its interaction with reactive species such as •O2⁻ and •OH. For γ-MnO2, NO directly reacted with •O2⁻. The findings highlight the dependence of MnO2 photocatalytic performance on its crystal phase and morphology, with δ-MnO2 effectively inhibiting photogenerated electron-hole recombination due to its superior properties. This work presents a straightforward approach to designing high-performance transition metal photocatalysts through crystal phase and morphology control, offering valuable insights for future photocatalyst research.
{"title":"Photocatalytic degradation of NO by MnO2 catalyst: The decisive relationship between crystal phase, morphology and activity","authors":"Lingtong Li, Yue Jing, Jianbei Zhang, Jiaxiu Guo","doi":"10.1016/j.jhazmat.2025.137228","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137228","url":null,"abstract":"This study investigates the critical relationship between the crystal phase, morphology, and photocatalytic activity of MnO<sub>2</sub>. The δ-MnO<sub>2</sub> nanosheets, characterized by multiple exposed crystal planes forming junctions, exhibit optimized optical and electrical properties. Oxygen vacancy concentrations were observed in the order δ-MnO<sub>2</sub> > γ-MnO<sub>2</sub> > α-MnO<sub>2</sub>, with corresponding increases in band gap width from 1.38<!-- --> <!-- -->eV (δ-MnO₂) to 1.68<!-- --> <!-- -->eV (α-MnO₂). The δ-MnO<sub>2</sub> nanosheets achieved over 80% NO removal efficiency and effectively suppressed the production of NO<sub>2</sub> byproducts, outperforming α-MnO<sub>2</sub> nanorods and γ-MnO<sub>2</sub> nanospheres. The adsorption energy of O₂ followed the trend δ-MnO<sub>2</sub> > γ-MnO<sub>2</sub> > α-MnO<sub>2</sub>, while the adsorption energy of NO was lowest on δ-MnO<sub>2</sub>, facilitating its interaction with reactive species such as •O<sub>2</sub>⁻ and •OH. For γ-MnO<sub>2</sub>, NO directly reacted with •O<sub>2</sub>⁻. The findings highlight the dependence of MnO<sub>2</sub> photocatalytic performance on its crystal phase and morphology, with δ-MnO<sub>2</sub> effectively inhibiting photogenerated electron-hole recombination due to its superior properties. This work presents a straightforward approach to designing high-performance transition metal photocatalysts through crystal phase and morphology control, offering valuable insights for future photocatalyst research.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"131 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986902","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}
Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137259
Agnieszka Jędruch, Ewa Korejwo, Grzegorz Siedlewicz, Aleksandra Cichecka, Jacek Bełdowski
Marine sediments are major sources of legacy pollution, capable of releasing toxic mercury (Hg) into the water column when disturbed. This study evaluated Hg remobilization from surface sediments during resuspension events by examining sediment properties, Hg concentrations, and speciation. Research was conducted in the southern Baltic Sea, representing diverse environmental conditions and human impacts. The findings showed that sediment resuspension was the primary driver of Hg remobilization, with diffusion flux playing a minimal role. Both dissolved and particulate Hg were released almost immediately after resuspension, with elevated concentrations persisting long enough to be transported beyond the disturbed area. The diffusion of dissolved Hg was enhanced by labile Hg fractions in the sediment, with reducing conditions and high organic matter content further promoting this process. Particulate Hg remobilization was influenced by sediment characteristics, particularly bulk density, which affected resuspension susceptibility and dispersion of suspended matter. The total Hg concentration and labile organic-bound Hg fractions also significantly influenced particulate Hg release. These results highlight the importance of sediment properties in managing Hg-contaminated sites and have implications for environmental protection and marine operations planning.
{"title":"Impact of sediment resuspension on near-bottom mercury dynamics: Insights from a Baltic Sea experiment","authors":"Agnieszka Jędruch, Ewa Korejwo, Grzegorz Siedlewicz, Aleksandra Cichecka, Jacek Bełdowski","doi":"10.1016/j.jhazmat.2025.137259","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137259","url":null,"abstract":"Marine sediments are major sources of legacy pollution, capable of releasing toxic mercury (Hg) into the water column when disturbed. This study evaluated Hg remobilization from surface sediments during resuspension events by examining sediment properties, Hg concentrations, and speciation. Research was conducted in the southern Baltic Sea, representing diverse environmental conditions and human impacts. The findings showed that sediment resuspension was the primary driver of Hg remobilization, with diffusion flux playing a minimal role. Both dissolved and particulate Hg were released almost immediately after resuspension, with elevated concentrations persisting long enough to be transported beyond the disturbed area. The diffusion of dissolved Hg was enhanced by labile Hg fractions in the sediment, with reducing conditions and high organic matter content further promoting this process. Particulate Hg remobilization was influenced by sediment characteristics, particularly bulk density, which affected resuspension susceptibility and dispersion of suspended matter. The total Hg concentration and labile organic-bound Hg fractions also significantly influenced particulate Hg release. These results highlight the importance of sediment properties in managing Hg-contaminated sites and have implications for environmental protection and marine operations planning.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"96 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986903","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}
Few epidemiological evidence has focused on the impact of organophosphate esters (OPEs) and the risk of eczema, and underlying role of gut microbiota. Based on the Shanghai Maternal-Child Pairs Cohort, a nested case-control study including 332 eczema cases and 332 controls was conducted. Umbilical cord blood and stools were collected for OPEs detection and gut microbiota sequencing, separately. Eczema cases were identified using the International Study of Asthma and Allergies in Childhood core questionnaire and clinical diagnosis. The environmental risk score (ERS) for OPEs was developed to quantify OPEs burden. Conditional logistic regression models, multivariate analysis by linear models, negative-binomial hurdle regression, and mediation analysis were employed. Tris(2-butoxyethyl) phosphate (TBP), tris (2-butoxy ethyl) phosphate (TBEP), 2-ethylhexyl diphenyl phosphate (EHDPP), and tris(1,3-dichloro-2-propyl) phosphate (TDCPP) had detection rates > 50%, with median concentrations ranged from 0.11 to 2.71 μg/L. TBP (OR=1.12, 95%CI: 1.01, 1.25), TDCPP (OR=1.32, 95%CI: 1.09, 1.59), and ERS (OR=6.44, 95%CI: 3.47, 11.94) were associated with elevated risk of eczema. OPEs exposure was correlated with increased alpha diversity and the abundance of several pathogenic bacteria, such as Klebsiella. Negative associations were observed between OPEs exposure and the abundances of Lachnospiraceae genera. Additionally, a positive correlation was identified between alpha diversity and the risk of eczema during childhood. Alpha diversity indices and Lachnospiraceae serve as significant mediators in this relationship. Results of this study indicate that prenatal exposure to OPEs is linked to an elevated risk of eczema and gut microbiota dysbiosis, potentially contributing to immunotoxicity of OPEs during early life.
{"title":"Associations of prenatal organophosphate esters exposure with risk of eczema in early childhood, mediating role of gut microbiota","authors":"Yuhan Zhou, Liyi Zhang, Ling Lin, Yang Liu, Qiang Li, Yingya Zhao, Yunhui Zhang","doi":"10.1016/j.jhazmat.2025.137250","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137250","url":null,"abstract":"Few epidemiological evidence has focused on the impact of organophosphate esters (OPEs) and the risk of eczema, and underlying role of gut microbiota. Based on the Shanghai Maternal-Child Pairs Cohort, a nested case-control study including 332 eczema cases and 332 controls was conducted. Umbilical cord blood and stools were collected for OPEs detection and gut microbiota sequencing, separately. Eczema cases were identified using the International Study of Asthma and Allergies in Childhood core questionnaire and clinical diagnosis. The environmental risk score (ERS) for OPEs was developed to quantify OPEs burden. Conditional logistic regression models, multivariate analysis by linear models, negative-binomial hurdle regression, and mediation analysis were employed. Tris(2-butoxyethyl) phosphate (TBP), tris (2-butoxy ethyl) phosphate (TBEP), 2-ethylhexyl diphenyl phosphate (EHDPP), and tris(1,3-dichloro-2-propyl) phosphate (TDCPP) had detection rates > 50%, with median concentrations ranged from 0.11 to 2.71<!-- --> <!-- -->μg/L. TBP (OR=1.12, 95%CI: 1.01, 1.25), TDCPP (OR=1.32, 95%CI: 1.09, 1.59), and ERS (OR=6.44, 95%CI: 3.47, 11.94) were associated with elevated risk of eczema. OPEs exposure was correlated with increased alpha diversity and the abundance of several pathogenic bacteria, such as <em>Klebsiella</em>. Negative associations were observed between OPEs exposure and the abundances of <em>Lachnospiraceae</em> genera. Additionally, a positive correlation was identified between alpha diversity and the risk of eczema during childhood. Alpha diversity indices and <em>Lachnospiraceae</em> serve as significant mediators in this relationship. Results of this study indicate that prenatal exposure to OPEs is linked to an elevated risk of eczema and gut microbiota dysbiosis, potentially contributing to immunotoxicity of OPEs during early life.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"20 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142987710","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}
Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137261
Ruoqi Yang, Ziling Zhu, Fan Wang, Guangfu Yang
Ecotoxicity assessments, which rely on animal testing, face serious challenges, including high costs and ethical concerns. Computational toxicology presents a promising alternative; nevertheless, existing predictive models encounter difficulties such as limited datasets and pronounced overfitting. To address these issues, we propose a framework for predicting pesticide ecotoxicity using graph contrastive learning (PE-GCL). By pre-training on large-scale unlabeled compounds, the PE-GCL captured the intrinsic regulation of molecules. This knowledge is then transferred to specific downstream tasks, thereby enhancing the model generalization in scenarios with small sample sizes. Performance evaluation showed that the PE-GCL outperformed traditional supervised models across most prediction tasks, whereas independent external validation confirmed its superior predictive accuracy for unseen data. Furthermore, interpretability was incorporated to elucidate potential correlations between ecotoxicity and molecular substructures. The trained models were deployed on a publicly accessible web server (https://dpai.ccnu.edu.cn/PERA/) to facilitate the use of the proposed framework.
{"title":"PE-GCL: Advancing pesticide ecotoxicity prediction with graph contrastive learning","authors":"Ruoqi Yang, Ziling Zhu, Fan Wang, Guangfu Yang","doi":"10.1016/j.jhazmat.2025.137261","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137261","url":null,"abstract":"Ecotoxicity assessments, which rely on animal testing, face serious challenges, including high costs and ethical concerns. Computational toxicology presents a promising alternative; nevertheless, existing predictive models encounter difficulties such as limited datasets and pronounced overfitting. To address these issues, we propose a framework for predicting pesticide ecotoxicity using graph contrastive learning (PE-GCL). By pre-training on large-scale unlabeled compounds, the PE-GCL captured the intrinsic regulation of molecules. This knowledge is then transferred to specific downstream tasks, thereby enhancing the model generalization in scenarios with small sample sizes. Performance evaluation showed that the PE-GCL outperformed traditional supervised models across most prediction tasks, whereas independent external validation confirmed its superior predictive accuracy for unseen data. Furthermore, interpretability was incorporated to elucidate potential correlations between ecotoxicity and molecular substructures. The trained models were deployed on a publicly accessible web server (<span><span>https://dpai.ccnu.edu.cn/PERA/</span><svg aria-label=\"Opens in new window\" focusable=\"false\" height=\"20\" viewbox=\"0 0 8 8\"><path d=\"M1.12949 2.1072V1H7V6.85795H5.89111V2.90281L0.784057 8L0 7.21635L5.11902 2.1072H1.12949Z\"></path></svg></span>) to facilitate the use of the proposed framework.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"3 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986907","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}
Mariculture is known to harbor antibiotic resistance genes (ARGs), which can be released into marine ecosystems via oceanic farming ponds, posing a public health concern. In this study, metagenomic sequencing was used to decipher the profiles of quinolone-resistant microbiomes and the mechanisms of quinolone resistance in sediment, seawater, and fish gill samples from five mariculture ponds. Residues of both veterinary-specific (enrofloxacin and sarafloxacin) and prohibited quinolones (ofloxacin, ciprofloxacin, pefloxacin, norfloxacin, and lomefloxacin) were detected. We identified a total of 285 subtypes of ARGs across all samples. Pathogens played a crucial role in the prevalence and distribution of these ARGs. Out of the annotated 629 bacterial species, 42 were identified as pathogenic, predominantly belonging to the Proteobacteria phylum. Notably, the Acinetobacter genus was prevalent in the gills and exhibited correlations with various ARGs. The presence of the plasmid-mediated quinolone resistance (PMQR) genes in various bacterial species and the identification of sulfonamide resistance genes across different samples indicated the potential for cross-species and cross-environment transmission of ARGs. Metagenomic binning revealed that Exiguobacterium harbored five ARGs (vanA, vanB, fexA, msr(G), mefF), while Shewanella carried six ARGs (blaOXA-436, adeF, qacl, ANT (2'')-Ia, dfrA1, rsmA). Mutations in gyrA and parC contributed to quinolone resistance in these multidrug-resistant Exiguobacterium and Shewanella. Our findings suggest a potential for ARG transmission across various bacterial species and environments in mariculture. This study emphasized the risk of resistance spread within the mariculture ecosystem.
Environmental Implication
Hainan, China, hosts the world's largest grouper mariculture area. Our investigations revealed that antibiotic use in these ponds has led to co-selection and cross-resistance. The risk of resistome and pathogenicity in the microbiome is elevated in fish compared to the mariculture environment. Quinolone-resistant bacteria are prevalent in mariculture ponds and demonstrate multi-drug resistance. Multiple ARGs were carried by plasmids, increasing the possibility of resistance spread in mariculture. This could pose risks to the ecosystems and public health.
{"title":"Deciphering spread of quinolone resistance in mariculture ponds: Cross-species and cross-environment transmission of resistome","authors":"Lu-Xi He, Liang-Ying He, Yan-Jun Tang, Lu-Kai Qiao, Meng-Chao Xu, Zhi-Ying Zhou, , , Guang-Guo Ying","doi":"10.1016/j.jhazmat.2025.137198","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137198","url":null,"abstract":"Mariculture is known to harbor antibiotic resistance genes (ARGs), which can be released into marine ecosystems via oceanic farming ponds, posing a public health concern. In this study, metagenomic sequencing was used to decipher the profiles of quinolone-resistant microbiomes and the mechanisms of quinolone resistance in sediment, seawater, and fish gill samples from five mariculture ponds. Residues of both veterinary-specific (enrofloxacin and sarafloxacin) and prohibited quinolones (ofloxacin, ciprofloxacin, pefloxacin, norfloxacin, and lomefloxacin) were detected. We identified a total of 285 subtypes of ARGs across all samples. Pathogens played a crucial role in the prevalence and distribution of these ARGs. Out of the annotated 629 bacterial species, 42 were identified as pathogenic, predominantly belonging to the Proteobacteria phylum. Notably, the <em>Acinetobacter</em> genus was prevalent in the gills and exhibited correlations with various ARGs. The presence of the plasmid-mediated quinolone resistance (PMQR) genes in various bacterial species and the identification of sulfonamide resistance genes across different samples indicated the potential for cross-species and cross-environment transmission of ARGs. Metagenomic binning revealed that <em>Exiguobacterium</em> harbored five ARGs (<em>vanA, vanB, fexA, msr(G), mefF</em>), while <em>Shewanella</em> carried six ARGs (<em>bla</em><sub>OXA-436</sub>, <em>adeF, qacl, ANT (2'')-Ia, dfrA1, rsmA</em>). Mutations in <em>gyrA</em> and <em>parC</em> contributed to quinolone resistance in these multidrug-resistant <em>Exiguobacterium</em> and <em>Shewanella</em>. Our findings suggest a potential for ARG transmission across various bacterial species and environments in mariculture. This study emphasized the risk of resistance spread within the mariculture ecosystem.<h3>Environmental Implication</h3>Hainan, China, hosts the world's largest grouper mariculture area. Our investigations revealed that antibiotic use in these ponds has led to co-selection and cross-resistance. The risk of resistome and pathogenicity in the microbiome is elevated in fish compared to the mariculture environment. Quinolone-resistant bacteria are prevalent in mariculture ponds and demonstrate multi-drug resistance. Multiple ARGs were carried by plasmids, increasing the possibility of resistance spread in mariculture. This could pose risks to the ecosystems and public health.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"11 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142987708","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}
Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137262
Zeyun Fan, Muhammad Musa Khan, Kai Wang, Yihan Li, Fengliang Jin, Jing Peng, Xinyi Chen, Weizhen Kong, Xiaolu Lv, Xiaoyuan Chen, Baoli Qiu, Xingmin Wang
Microplastics have evolved as widespread contaminants in terrestrial and aquatic environments, raising significant environmental concerns due to their persistence and bioaccumulation. In this study, we investigated the toxicity of polyethylene microplastics (PE-MPs) on the agricultural insect, Spodoptera frugiperda. Maize leaves containing three sizes (0.5 μm, 5 μm, and 50 μm) of PE-MPs were fed to fall armyworm larvae for 12 days at concentrations of 1.25 g/ L, 5 g/L, and 20 g/L. The results showed that smaller size and higher concentration of microplastics led to increased toxicity. Furthermore, different sizes and maximum concentrations of PE-MPs were selected for subsequent experiments to observe changes in histological and enzymatic biomarkers, midgut microbiome, and metabolic responses. Following PE-MPs exposure, inflammation signs and oxidative stress were detected in the midgut. Significant changes were also observed in midgut microbiota and metabolomes, most related with oxidative stress, inflammatory disorders, and energy metabolism. These results provide evidence of midgut damage and alterations in the microbiota and metabolome of S. frugiperda because of PE-MPs exposure, highlighting the harm that microplastics can inflict on agricultural insects. Additionally, the study lays a theoretical foundation for future research on the transmission of microplastics through the food chain in agricultural ecosystems.
{"title":"Disruption of Midgut Homeostasis by Microplastics in Spodoptera frugiperda: Insights into Inflammatory and Oxidative Mechanisms","authors":"Zeyun Fan, Muhammad Musa Khan, Kai Wang, Yihan Li, Fengliang Jin, Jing Peng, Xinyi Chen, Weizhen Kong, Xiaolu Lv, Xiaoyuan Chen, Baoli Qiu, Xingmin Wang","doi":"10.1016/j.jhazmat.2025.137262","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137262","url":null,"abstract":"Microplastics have evolved as widespread contaminants in terrestrial and aquatic environments, raising significant environmental concerns due to their persistence and bioaccumulation. In this study, we investigated the toxicity of polyethylene microplastics (PE-MPs) on the agricultural insect, <em>Spodoptera frugiperda</em>. Maize leaves containing three sizes (0.5 μm, 5 μm, and 50 μm) of PE-MPs were fed to fall armyworm larvae for 12 days at concentrations of 1.25<!-- --> <!-- -->g/ L, 5<!-- --> <!-- -->g/L, and 20<!-- --> <!-- -->g/L. The results showed that smaller size and higher concentration of microplastics led to increased toxicity. Furthermore, different sizes and maximum concentrations of PE-MPs were selected for subsequent experiments to observe changes in histological and enzymatic biomarkers, midgut microbiome, and metabolic responses. Following PE-MPs exposure, inflammation signs and oxidative stress were detected in the midgut. Significant changes were also observed in midgut microbiota and metabolomes, most related with oxidative stress, inflammatory disorders, and energy metabolism. These results provide evidence of midgut damage and alterations in the microbiota and metabolome of <em>S. frugiperda</em> because of PE-MPs exposure, highlighting the harm that microplastics can inflict on agricultural insects. Additionally, the study lays a theoretical foundation for future research on the transmission of microplastics through the food chain in agricultural ecosystems.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"15 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142987267","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}
Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137246
Hyejung Jung, Jiyun Kim, Jeonghoon Lee
Although sulfur-bearing minerals are valuable resources, they pose significant environmental risks to river ecosystems by releasing hazardous leachate. Accurately tracing these sources is crucial but challenging due to overlapping chemical signatures and pollutant transport dynamics in river systems. This study investigates seasonal and spatial variations in sulfate (SO42−) and trace element contributions in mining districts of the upper Nakdong River basin, South Korea. Sulfate isotopes (δ34SSO4 and δ18OSO4) and Monte Carlo simulations enhanced the precision of source estimation. Bayesian stable isotope mixing (MixSIAR) models revealed acid mine drainage (55.3%) dominated during the wet season, while smelter tailings and mine leachate dominated during the dry season (43.8%). Model uncertainty was addressed through probabilistic approaches, with Monte Carlo simulations, ensuring robustness in δ18OSO4 predictions. Additionally, the Positive Matrix Factorization (PMF) model identified dominant emission sources and impact ranges for hazardous elements, mostly validated by high correlation coefficients (r > 0.8). Notably, the contribution of Cd-dominated emissions from smelters increased from 13% in the wet season to 51.5% in the dry season, while the contribution of As-dominated emissions from mining increased from 30.3% to 40.7%. Despite sorption and coprecipitation processes, As migrated ~ 50 km downstream during the dry season. Statistical correlation and cluster analyses further confirmed consistency between observed and modeled geochemical patterns. This study underscores the reliability of integrating Bayesian and PMF models with isotopic and hydrogeochemical data, offering valuable insights for tracing anthropogenic sources in complex mining environments.
{"title":"Seasonal and Spatial Contributions of Sulfate and Trace Elements in River Water in Mining Districts: Insights from Hydrogeochemical and Isotopic Analysis Based on Statistical Models","authors":"Hyejung Jung, Jiyun Kim, Jeonghoon Lee","doi":"10.1016/j.jhazmat.2025.137246","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137246","url":null,"abstract":"Although sulfur-bearing minerals are valuable resources, they pose significant environmental risks to river ecosystems by releasing hazardous leachate. Accurately tracing these sources is crucial but challenging due to overlapping chemical signatures and pollutant transport dynamics in river systems. This study investigates seasonal and spatial variations in sulfate (SO<sub>4</sub><sup>2−</sup>) and trace element contributions in mining districts of the upper Nakdong River basin, South Korea. Sulfate isotopes (δ<sup>34</sup>S<sub>SO4</sub> and δ<sup>18</sup>O<sub>SO4</sub>) and Monte Carlo simulations enhanced the precision of source estimation. Bayesian stable isotope mixing (MixSIAR) models revealed acid mine drainage (55.3%) dominated during the wet season, while smelter tailings and mine leachate dominated during the dry season (43.8%). Model uncertainty was addressed through probabilistic approaches, with Monte Carlo simulations, ensuring robustness in δ<sup>18</sup>O<sub>SO4</sub> predictions. Additionally, the Positive Matrix Factorization (PMF) model identified dominant emission sources and impact ranges for hazardous elements, mostly validated by high correlation coefficients (r > 0.8). Notably, the contribution of Cd-dominated emissions from smelters increased from 13% in the wet season to 51.5% in the dry season, while the contribution of As-dominated emissions from mining increased from 30.3% to 40.7%. Despite sorption and coprecipitation processes, As migrated ~ 50<!-- --> <!-- -->km downstream during the dry season. Statistical correlation and cluster analyses further confirmed consistency between observed and modeled geochemical patterns. This study underscores the reliability of integrating Bayesian and PMF models with isotopic and hydrogeochemical data, offering valuable insights for tracing anthropogenic sources in complex mining environments.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"41 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986909","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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