Journal of Hazardous Materials最新文献_第4页

Labile heavy metals in sediments controlled by terrestrial organic matter based on isotopic and molecular signatures in an anthropogenic estuary 基于同位素和分子特征的人为河口陆源有机质控制的沉积物中不稳定重金属

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140157

Ling Zhang, Yunchao Wu, Pengju Li, Jia Yang, Zhixin Ni, Zhijian Jiang, Xiaoping Huang, Ding He

{"title":"Labile heavy metals in sediments controlled by terrestrial organic matter based on isotopic and molecular signatures in an anthropogenic estuary","authors":"Ling Zhang, Yunchao Wu, Pengju Li, Jia Yang, Zhixin Ni, Zhijian Jiang, Xiaoping Huang, Ding He","doi":"10.1016/j.jhazmat.2025.140157","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140157","url":null,"abstract":"Labile heavy metal (LHM) is greatly important as the most direct proxy of metal mobility, which is crucially controlled by organic matter (OM) in the estuaries. This work was performed in the Pearl River Estuary experienced eutrophication and heavy metal (HM) pollution, aiming to study the link between dissolved OM and LHMs in sediments, thereby understanding the metal risk mechanisms. LHMs exhibited pronounced accumulation in the west coast and river outlet areas. Co-occurrence of elevated LHMs and organic carbon versus nitrogen ratio, decreased stable carbon isotopic signature, suggested terrestrial OM largely facilitated the transport and accumulation of LHMs. Terrestrially derived sediment dissolved OM (SDOM) components with high humification may supply a stronger binding to most LHMs due to the powerful interactions. SDOM molecular analyses showed terrestrial, highly aromatic and stable substances enhanced HM mobility. Whereas, in situ bacteria or phytoplankton transformed DOM products containing nitrogen and sulfur made a greater contribution to labile Pb and Cr compared to others. These results implied SDOM with high aromaticity and low bio-reactivity promoted HM mobility and risk which was also considerably controlled by terrestrial SDOM. These observations offered new insights into the mechanisms involving the presence and risk of HMs in human-impacted estuaries.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"27 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306177","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}

引用次数: 0

Seasonal mercury in an endangered primate from fragmented karst forest: does behavioral observation advance ecotoxicological risk assessment? 喀斯特破碎森林中濒危灵长类动物的季节性汞：行为观察是否能促进生态毒理学风险评估？

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140162

Ran Huang, Haili Chen, Qiuyan Guo, Meijing Lu, Shijun Wu, Dengpan Nong, Chan Li, Yanju Ma, Qihai Zhou

{"title":"Seasonal mercury in an endangered primate from fragmented karst forest: does behavioral observation advance ecotoxicological risk assessment?","authors":"Ran Huang, Haili Chen, Qiuyan Guo, Meijing Lu, Shijun Wu, Dengpan Nong, Chan Li, Yanju Ma, Qihai Zhou","doi":"10.1016/j.jhazmat.2025.140162","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140162","url":null,"abstract":"Pollution may drive local extinctions, particularly among threatened species, yet ecological risk assessments seldom incorporate animal behavior—potentially underestimating risks for behaviorally flexible species. Using year-round, individual-level behavioral data, we assessed mercury (Hg) exposure and ecological risk in the critically endangered White-headed Langur (Trachypithecus leucocephalus), which inhabits fragmented karst forests in Southwest China. Langurs spent approximately 90% of their foraging time along forest edges near agricultural areas, where Hg exposure was elevated due to the consumption of preferred young leaves, with Hg concentrations often exceeding national food safety standards. Specifically, 66% of sampled plants surpassed the Chinese threshold for vegetables (10 µg/kg), in some cases by up to threefold. During the dry season, when natural food was scarce, langurs expanded their diet and increased foraging near agricultural zones by 8.4%, further intensifying their exposure risk. Mercury concentrations in both food plants and fecal samples were significantly higher during this period. Overall, the population faces notable ecological risks from Hg exposure, with lactating females being particularly vulnerable during the dry season. Our findings demonstrate that adaptive foraging behavior strongly influences Hg intake, underscoring the need to integrate behavioral ecology into ecotoxicological assessments to better inform effective conservation and management strategies.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"11 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306141","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}

引用次数: 0

Magnetic fields facilitate microbial reductive dechlorination of Aroclor 1254: insights into the shifts of dechlorination pathways, functional genes, and the effects of carbon source 磁场促进Aroclor 1254的微生物还原脱氯：脱氯途径、功能基因和碳源影响的变化

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140167

Yanqiang Tang, Xuexin Han, Ying Wang, Lei Xu, Qingdong Qin, Yan Xu

{"title":"Magnetic fields facilitate microbial reductive dechlorination of Aroclor 1254: insights into the shifts of dechlorination pathways, functional genes, and the effects of carbon source","authors":"Yanqiang Tang, Xuexin Han, Ying Wang, Lei Xu, Qingdong Qin, Yan Xu","doi":"10.1016/j.jhazmat.2025.140167","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140167","url":null,"abstract":"Microbial reductive dechlorination of the most toxic commercial PCB mixture Aroclor 1254 is challenging due to its high proportion of highly chlorinated congeners. This study demonstrates, for the first time, that a 5 mT static magnetic field (MF) significantly enhanced Aroclor 1254 dechlorination. Compared to non-MF-exposed controls (T-W), MF exposure (T-M, initial concentration: 39.85 ± 0.31 mg·kg−1 slurry) greatly reduced the dechlorination lag period by approximately 6 weeks and significantly accelerated the dechlorination rate (Week 0-18: 0.526 ± 0.082 vs 0.349 ± 0.035 mg·kg−1 slurry·week−1 for T-M vs T-W). Although both groups reached a similar dechlorination plateau after Week 30, MF exposure enhanced ortho-dechlorination. Furthermore, the detailed PCB congener classification, based on redundancy analysis and temporal changes in PCB congener molar concentration, revealed more comprehensive dechlorination pathways. MF exposure enhanced dechlorination of PCB149 (236-245) and PCB71 (26-34) considered recalcitrant to be dechlorinated in Taihu Lake sediments. Microbiome analysis showed that MF exposure enriched the phylum Chloroflexi and promoted specific Dehalogenimonas-related amplicon sequence variants (ASVs) as keystone taxa in T-M. Notably, MF initially stimulated enrichment of the reductive dehalogenase gene pcbA1, potentially via enhanced carbon source utilization, which likely accelerated dechlorination occurrence and altered pathways. Weak intensity MF showed a potential for accelerating in situ PCB microbial reductive dechlorination.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"38 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306173","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}

引用次数: 0

Structure-informed risk assessment of algal metabolic disruption by pyridine derivatives in algal-bacterial symbiotic systems 藻-细菌共生系统中吡啶衍生物对藻类代谢破坏的结构知情风险评估

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140165

Xinying Hou, Dan Chen, Muyu Li, Xinbai Jiang, Jinyou Shen

{"title":"Structure-informed risk assessment of algal metabolic disruption by pyridine derivatives in algal-bacterial symbiotic systems","authors":"Xinying Hou, Dan Chen, Muyu Li, Xinbai Jiang, Jinyou Shen","doi":"10.1016/j.jhazmat.2025.140165","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140165","url":null,"abstract":"Pyridine derivatives are widespread nitrogenous pollutants in industrial wastewater. Algal-bacterial symbiotic systems (ABSS) provide a green and efficient approach for their treatment by coupling algal photosynthesis with bacterial degradation and nitrogen cycling. In ABSS, algae were more sensitive to toxic pollutants than bacteria, making their physiological tolerance the key to maintaining ABSS stability under high contaminant loads. However, conventional toxicity assessments often overlook sublethal metabolic effects on algae, thereby underestimating their impact on system performance. In this study, a mechanism-informed, structure-based screening framework was established to prioritize sublethal risk, with an application ratio (AR) introduced as a mechanism-linked endpoint. High predictive performance was obtained with a back-propagation neural network (R2 = 0.972), and LUMO energy and log Kow were identified as the most influential descriptors by feature-importance analysis. Algal physiological assays showed trends consistent with AR-based predictions for three representative pyridine derivatives. Structure-dependent effects were observed, involving membrane permeability, redox imbalance, and enzymatic inhibition. Molecular docking and dynamics further showed that spatial complementarity in the CYP450 active site, rather than binding affinity alone, was the primary determinant of inhibition potency. Collectively, these results support the use of AR thresholds as a screening basis for classifying pollutants into actionable risk categories. This approach may facilitate pollutant prioritization, operational adjustment, and adaptive management of ABSS under complex wastewater conditions.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"42 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306143","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}

引用次数: 0

Metagenomic analysis of bacterial fitness and plasmids carrying blaTEM-1 and virulence genes before and after cleaning and disinfection in pig slaughterhouses 猪屠宰场清洁消毒前后细菌适应度及携带blatem1和毒力基因质粒的宏基因组分析

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140168

Shanshan Chu, Yan Chen, Zhuoqun Xu, Jie Zhou, Keyu Li, Qi Zhang, Min Qian, Jianzhong Han, Daofeng Qu

{"title":"Metagenomic analysis of bacterial fitness and plasmids carrying blaTEM-1 and virulence genes before and after cleaning and disinfection in pig slaughterhouses","authors":"Shanshan Chu, Yan Chen, Zhuoqun Xu, Jie Zhou, Keyu Li, Qi Zhang, Min Qian, Jianzhong Han, Daofeng Qu","doi":"10.1016/j.jhazmat.2025.140168","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140168","url":null,"abstract":"The identification of antibiotic resistance genes (ARGs), virulence genes, and pathogens in animal slaughterhouses poses a major threat to human health. However, limited data is available about the contamination and dissemination of ARGs in commercial pig slaughterhouses before and after disinfectant application. In this study, we used metagenomics and plasmid profiling to analys ethe effect of quaternary-ammonium-based cleaning and disinfection (C&D) on the microbiota, antibiotic resistance genes (ARGs), and virulence genes (VFs) in a pig slaughterhouse. According to results C&D effectively reduced the total microbial population and abundance of ARGs. However, the prevalence of disinfectant-resistant bacteria, particularly Escherichia coli, increased dramatically from 5.9% to 14.9%. Additionally, the clinically significant β-lactamase gene blaTEM-1 remained intact throughout C&D process. The persistence of blaTEM-1 is primarily facilitated by low-fitness-cost IncR-type plasmids (pTZ17 and pSB24), which are characterised by their simplified structures that have no effect on bacterialgrowth or motility and exhibit stability in the absence of antibiotics. On the other hand, the high-virulence IncFIB plasmid (pYA21) harbors numerous ARGs and VFs. Despite their low survival rate after C&D, the remaining bacteria may pose an even greater risk. The results suggest that current disinfection protocols may unintentionally promote the persistence and dissemination of resistance plasmids with potential fitness or economic advantages. Our findings highlight the need of integrating plasmid ecology and virulence profiling into standard surveillance practices, which will enhance disinfection strategies and help to mitigate the spread of antimicrobial resistance.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"1 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306146","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}

引用次数: 0

Divergent Regulation of Dissolved Organic Nitrogen Release from Agricultural Wastes: Iron–Aluminum–Organic Carbon Interplay 农业废弃物中溶解有机氮释放的发散调控：铁-铝-有机碳的相互作用

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140160

Bingcong Feng, Jie Ma, Yong Liu, Xiaoyu Zhang, Yixuan Sun, Yujie Zhao, Liping Weng

{"title":"Divergent Regulation of Dissolved Organic Nitrogen Release from Agricultural Wastes: Iron–Aluminum–Organic Carbon Interplay","authors":"Bingcong Feng, Jie Ma, Yong Liu, Xiaoyu Zhang, Yixuan Sun, Yujie Zhao, Liping Weng","doi":"10.1016/j.jhazmat.2025.140160","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140160","url":null,"abstract":"The leaching of dissolved organic nitrogen (DON) from agricultural waste contributes to groundwater pollution, yet the regulatory soil factors and mechanisms—particularly those linked to DON source properties—remain poorly understood. We investogated the transport of wheat-straw-derived DON (WS-DON) and chicken-manure-derived DON (CM-DON) in representative regional Chinese soils using an integrated multiscale approach, including soil column experiments, convection–dispersion modeling, machine learning models (random forest with SHapley Additive exPlanations), partial least squares path modeling, and quantum chemical calculations. CM-DON exhibited 55.6% higher mobility than WS-DON. While total iron (Fe-t), exchangeable aluminum (Al-e), and total organic carbon (TOC) influenced both DON types, their regulatory roles differed. Fe-t (coefficient = 0.65) and TOC (0.42) enhanced WS-DON retention, with Al-e contributing indirectly via synergy with the Fe-TOC system. In contrast, CM-DON retention was mainly driven by the direct effects of Fe-t (0.69) and easily reducible Fe (Fe-ox1, 0.40), modulated by TOC–pH–Fe-ox1 indirect pathways. Quantum chemical analysis revealed that goethite retained hydroxyl-rich WS-DON via Fe–O stable covalent bonds (ΔE = −21.75 kcal mol−1), whereas CM-DON was weakly adsorbed through humic-acid-mediatd clustering. These results highlight the need for differentiated nutrient management strategies to mitigate DON leaching from agricultural residues.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"66 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306171","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}

引用次数: 0

Heterogeneous Deposition of Radioactive Particles on Urban Facades for Enhanced Exposure Assessment in Nuclear Emergencies 核事故中城市外立面放射性颗粒非均相沉积强化暴露评估

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140161

Yanyi Liuchen, Minghua Lyu, Zhixin Qiu, Xin He, Bo Lu, Yuheng Cheng, Shifei Shen, Xiaole Zhang

{"title":"Heterogeneous Deposition of Radioactive Particles on Urban Facades for Enhanced Exposure Assessment in Nuclear Emergencies","authors":"Yanyi Liuchen, Minghua Lyu, Zhixin Qiu, Xin He, Bo Lu, Yuheng Cheng, Shifei Shen, Xiaole Zhang","doi":"10.1016/j.jhazmat.2025.140161","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140161","url":null,"abstract":"Radioactive particles released during nuclear accidents rapidly disperse and deposit heterogeneously across urban environments, with building facades becoming significant yet underrecognized secondary radiation sources. Conventional models typically approximate urban surfaces as uniform roughness layers, neglecting the influence of three-dimensional architecture and localized airflow. In this study, we developed a coupled Computational Fluid Dynamics–Discrete Element Method (CFD-DEM) and Geant4 Monte Carlo framework to quantify the dry deposition of Iodine-131 (I-131) particles on building facades and evaluate the resulting ground-level radiation risks from first principles. Parametric analysis reveals that deposition velocity is strongly influenced by particle size, wind speed, surface orientation, and windward angle. Windward surface exhibits the highest deposition velocity compared to side/top ones, reaching up to 1.31 m·s−1, over two orders of magnitude above conventional assumptions. An inflection near a 20° windward angle marks a regime shift from Brownian diffusion to inertia-dominated deposition. Radiation simulations show that facade-deposited I-131 contributes more substantially to ground-level dose rates than flat ground deposition alone, particularly near tall or wide buildings. These findings highlight the need to incorporate facade-specific deposition and 3D urban morphology into nuclear emergency response frameworks, offering a refined scientific basis for exposure assessment, evacuation planning, and public health protection.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"47 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306174","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}

引用次数: 0

Construction of a Multiplex Biosensor for the On-site Rapid Detection of Phthalates in Biological Fluids Based on Single-stranded DNA Aptamers 基于单链DNA适体的生物流体中邻苯二甲酸盐现场快速检测的多重生物传感器的构建

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-16 DOI: 10.1016/j.jhazmat.2025.140164

Kun Fu, Jia Zheng, Yichao Zhang, Chang Liu, Wenxiang Zhang, Siyu Chen

{"title":"Construction of a Multiplex Biosensor for the On-site Rapid Detection of Phthalates in Biological Fluids Based on Single-stranded DNA Aptamers","authors":"Kun Fu, Jia Zheng, Yichao Zhang, Chang Liu, Wenxiang Zhang, Siyu Chen","doi":"10.1016/j.jhazmat.2025.140164","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140164","url":null,"abstract":"Current analytical methodologies for phthalic acid esters (PAEs) face significant challenges in achieving rapid on-site detection and the discriminative identification of individual congeners. This study utilizes Capture-SELEX technology to identify aptamers specifically recognizing dibutyl phthalate (DBP), di-n-octyl phthalate (DNOP), and diethyl phthalate (DEP). Fluorescence-based affinity assays revealed that these aptamers possess dissociation constants (Kd) of 1.577, 0.889, and 0.173 μM for their respective targets. Molecular docking simulations, coupled with base mutation analyses, were conducted to predict potential binding interfaces. By integrating these aptamers with the previously characterized di(2-ethylhexyl) phthalate (DEHP)-aptamer, a gold nanoparticle (AuNPs)-mediated visual detection platform was developed to validate the efficacy and potential of these aptamers for subsequent applications. The calculated limits of detection (LOD) for DBP, DEHP, DNOP, and DEP using this system are 17.64, 2.32, 25.68 and 22.01 ng/mL, respectively. Furthermore, a lateral flow strip was designed to enable the simultaneous and on-site multiplex detection of the four PAEs. This strip achieved LODs of 12.54, 14.95, 14.93 and 30.28 ng/mL for DBP, DEHP, DNOP, and DEP, respectively. A comparative evaluation using LC–MS on identical samples revealed quantitative concordance within a ratio range of 94.18%–110.43%, highlighting the robust analytical performance, detection efficiency, and translational potential of the strip for widespread application in various PAE testing scenarios.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"5 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145306176","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}

引用次数: 0

Application of a Thiophene-Based Conjugated Polymer in the Photocatalytic Eradication of Multidrug-Resistant Bacteria: Synergistic Inactivation of MRSA via Carboxyl Capture and Multi-Pathway Regulation 噻吩基共轭聚合物在光催化根除多重耐药细菌中的应用：通过羧基捕获和多途径调控协同失活MRSA

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-15 DOI: 10.1016/j.jhazmat.2025.140151

Ying Xu, Simiao Wang, Xinyu Yu, Yuncong Wang, Lin Han, Yu Wang, Haiyong Guo, Juan Du

{"title":"Application of a Thiophene-Based Conjugated Polymer in the Photocatalytic Eradication of Multidrug-Resistant Bacteria: Synergistic Inactivation of MRSA via Carboxyl Capture and Multi-Pathway Regulation","authors":"Ying Xu, Simiao Wang, Xinyu Yu, Yuncong Wang, Lin Han, Yu Wang, Haiyong Guo, Juan Du","doi":"10.1016/j.jhazmat.2025.140151","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140151","url":null,"abstract":"Methicillin-resistant Staphylococcus aureus poses a significant public health risk due to its multidrug resistance mechanism. This study applies a three-in-one antibacterial strategy incorporating \"molecular conjugation-photocatalysis-omics analysis\" to design and synthesize a thienyl conjugated polymer (YQ). Optimization of the main chain of the polythiophene-alkynyl conjugated system for light capture with electric field regulation by the carboxyl group has delivered dual bactericidal properties under visible light. The system decomposes bacterial cell membranes via oxidation with reactive oxygen species such as hydroxyl radicals (•OH), where 107 CFU/mL of methicillin-resistant Staphylococcus aureus (MRSA) was fully inactivated within 2 h. In vivo experiments further demonstrated that YQ not only exhibited effective antimicrobial activity under visible light irradiation but also promoted the healing of bacteria-infected wounds. Transcriptomics has revealed the YQ sterilization mechanism that involves the energy supply of the tricarboxylic acid cycle, the defense system of ABC transporters, and the repair pathway of branched-chain amino acids, forcing the bacteria into an \"energy depletion-defense collapse-repair paralysis\" death cycle. This study demonstrates the combined effectiveness of molecular engineering, organic photocatalysts, and the regulation of bacterial metabolic networks. The findings can serve as a theoretical and experimental basis for the application of organic polymer photocatalytic antibacterial agents.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"8 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145295277","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}

引用次数: 0

Machine Learning Models for Predicting Surfactant-Enhanced Oil Removal from Contaminated Soil 预测表面活性剂对污染土壤除油效果的机器学习模型

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2025-10-15 DOI: 10.1016/j.jhazmat.2025.140141

Ehsan Hajibolouri, Bakbergen Bekbau, Sagyn Omirbekov, Mohammad Ranjbaran, Dinara Turalina, Masoud Riazi

{"title":"Machine Learning Models for Predicting Surfactant-Enhanced Oil Removal from Contaminated Soil","authors":"Ehsan Hajibolouri, Bakbergen Bekbau, Sagyn Omirbekov, Mohammad Ranjbaran, Dinara Turalina, Masoud Riazi","doi":"10.1016/j.jhazmat.2025.140141","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.140141","url":null,"abstract":"Soil contamination is a significant environmental concern due to the persistence and toxicity of petroleum hydrocarbons. Surfactant-enhanced remediation (SER) enables effective removal of such pollutants by facilitating their solubilization and desorption. However, conventional linear and mechanistic models struggle to capture the complex nonlinear interactions among soil characteristics, pollutant types, and surfactant formulations. Machine learning provides a powerful alternative to address these challenges. In this work, a dataset of 2,394 samples encompassing surfactant, soil, oil, water properties, and operational conditions was used to train and validate six predictive models. Among them, the categorical boosting (CB) model exhibited the highest performance (R² = 0.985 and RMSE = 0.068), followed by extreme gradient boosting and decision tree. Cross-validation confirmed the robustness of the CB model, with 96.4% of predictions within the statistical applicability domain, while benchmarking demonstrated its ability to reproduce experimental trends. Monte Carlo based sensitivity analysis showed agitation speed, surfactant concentration, liquid-to-soil ratio, and washing time as the dominant factors controlling remediation efficiency. These findings demonstrate that AI-driven modeling can serve as an efficient tool for environmental remediation, enabling optimized surfactant-based soil cleanup designs while reducing operational risks and costs compared to conventional methods.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"28 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-10-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145295882","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}

引用次数: 0