{"title":"Dual-Lanthanide Functionalized Hydrogen-Bonded Organic Frameworks for Fluorescent Detection of Quinolone Antibiotics in Multi-media","authors":"Shuang Meng, Bofang Mu, Shun Mao, Zhuo Li","doi":"10.1016/j.jhazmat.2025.139335","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139335","url":null,"abstract":"To address the urgent need for antibiotic detection, rapid and reliable sensors are imperative. In this study, a novel dual-lanthanide-ion-modified hydrogen-bonded organic frameworks (HOFs) was developed as a fluorescence sensor, named EuTb@ME-IPA, for norfloxacin (NOR) and ciprofloxacin (CIP) detection. The dual lanthanide ions (Eu<sup>3+</sup> and Tb<sup>3+</sup>) were anchored through the coordination with carboxyl and amino groups in the HOFs. The energy transfer from the HOFs to Eu<sup>3+</sup> and Tb<sup>3+</sup> endowed the material with dual-emission characteristics. Notably, EuTb@ME-IPA overcame the limitation of traditional materials restricted to single-medium detection, enabling the detection in multi-media: <em>i</em>) ratiometric fluorescence detection in ethanol; <em>ii</em>) fluorescence “turn-on” response in aqueous media; <em>iii</em>) ratiometric fluorescence detection via fluorescent films. All the three detections exhibited rapid response in seconds, high sensitivity with the limits of detection (LODs) as low as 0.048<!-- --> <!-- -->μM (NOR) and 0.037<!-- --> <!-- -->μM (CIP), and excellent selectivity. Furthermore, the EuTb@ME-IPA based fluorescent film enabled visual detection in real water samples. In addition, the coordination of carboxyl groups in NOR/CIP with Tb<sup>3+</sup> induces an “antenna” effect, which was mechanistically certified through DFT calculations and spectral characterization. This study provides new insights for developing portable antibiotic sensors and advancing fluorescence-based strategies for water quality monitoring.<h3>Environmental Implication</h3>Ciprofloxacin (CIP) and norfloxacin (NOR), classified as quinolone antibiotics, are emerging environmental contaminants of concern in water. Their low biodegradability leads to persistent accumulation in surface water, which disrupts microbial community homeostasis, induces antibiotic resistance gene dissemination, and threatens human health via food chain bioaccumulation, manifesting as hepatorenal toxicity, intestinal microbiota dysbiosis and neurotoxicity. To assess their environmental risks, a simple radiometric fluorescent sensor of EuTb@ME-IPA was developed to achieve highly sensitive and selective detection in multiple media. It provides technical support for monitoring of quinolone contamination in environmental matrices, thereby supporting ecosystem conservation.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"51 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678182","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}
Hanqi Wu, Xuhui Huang, Xiaoxiao Duan, An Lao, Zheng Zheng
{"title":"Meta-analysis evaluates toxicity of PFAS to microalgae: Mechanisms and ecological risks","authors":"Hanqi Wu, Xuhui Huang, Xiaoxiao Duan, An Lao, Zheng Zheng","doi":"10.1016/j.jhazmat.2025.139328","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139328","url":null,"abstract":"As emerging contaminants, perfluoroalkyl and polyfluoroalkyl substances (PFAS) are widely distributed across the environment. Concerns have been increasingly raised about their bioaccumulation in living organisms and the associated toxic effects. As important primary producers in aquatic ecosystems and ideal biological indicators for assessing water quality, microalgae inevitably coexist with PFAS in the aquatic environment. Gaining insight into the impacts and underlying mechanisms of PFAS on microalgae is essential for developing effective strategies for risk management and mitigation. This study extracted 1681 datapoints from 45 papers for meta-analysis. The results indicated that PFAS significantly inhibit microalgal growth and photosynthesis, while increasing oxidative stress and cell membrane damage, which potentially poses a greater risk of algal toxin release. <em>Chlorophyta</em> experience more membrane damage compared to <em>cyanobacteria</em>. There is a negative correlation between microalgal biomass and PFAS concentration; however, the impact of PFAS diminishes over time. Additionally, a complex nonlinear relationship, exhibiting a quadratic pattern, exists between the length of fluorocarbon chains and the biomass of microalgae. At the same fluorocarbon chain length, PFAS with -COOH functional groups show greater toxicity than PFAS containing other functional groups. Relying solely on microalgae for PFAS removal may be inadequate due to their limited efficiency in the removal process. These findings enhance our comprehension of microalgae behavior under various PFAS conditions, offering a theoretical basis for PFAS distribution management and ecological risk assessment, though future research should address current limitations by investigating long-term exposure effects and species-specific responses across broader taxonomic groups.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"12 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678183","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}
{"title":"From Leachate to Dipteran Insects in Municipal Solid Waste Landfills: The Sink and Transfer of PFASs Driven by Environmental Conditions","authors":"Huazu Liu, Xinxin Peng, Wanqi Shi, Wei Yang, Zhexin Li, Chuanqiao Zhou, Shenhua Qian, Xiaoming Wang, Yue Zhi, Megumu Fujibayashi, Kuba Takahiro, Wei Li","doi":"10.1016/j.jhazmat.2025.139329","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139329","url":null,"abstract":"Information on per- and polyfluoroalkyl substances (PFASs) transfer mediated by insects in landfills was limited. Responses of the PFASs transfer caused by dipteran insects and the PFASs in leachate to temperature and humidity was investigated in this study, which was conducted at a large municipal solid waste landfill. Short-chain PFBS and PFPeA were the dominant PFASs in leachate, while GenX and 6:2 FTS were the primary contributors to PFASs in dipteran insects in landfill. The interactive variations in temperature and humidity significantly influenced the PFASs concentration in leachate and the PFASs transfer flux of dipteran insects. The peak PFASs transfer rates were observed at 30.60°C and 84.21% relative humidity in the operational area (22.82<ce:hsp sp=\"0.25\"></ce:hsp>ng<ce:hsp sp=\"0.25\"></ce:hsp>m⁻² d⁻¹) and at 23.97°C and a moisture index of 627.03 in the closure area (22.65<ce:hsp sp=\"0.25\"></ce:hsp>ng<ce:hsp sp=\"0.25\"></ce:hsp>m⁻² d⁻¹). The dipteran pupa showed a stronger capacity for bioconcentrating PFASs compared to the imago, with higher BCFs for short-chain PFASs and emerging alternatives. Furthermore, more PFASs were enriched in the interior of both dipteran pupa and imago. These findings emphasized the significance of monitoring environmental temperature and humidity for assessing PFASs concentration in leachate and PFASs transfer caused by dipteran insects, providing a novel perspective for PFASs management in landfills.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"282 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144669873","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}
Annika Jahnke, Aaron J. Beck, Richard L. Becker, Daria Bedulina, Ulrike Braun, Gunnar Gerdts, Lars Hildebrandt, Hanna Joerss, Ole Klein, Janine Korduan, Christian Laforsch, Gisela Lannig, Heather A. Leslie, Stefan Lips, Frank Menger, Deedar Nabi, Sonja Oberbeckmann, Sebastian Primpke, Daniel Pröfrock, Anja F.R.M. Ramsperger, Dana Kühnel
{"title":"Perspective Article: Multisectoral considerations to enable a circular economy for plastics","authors":"Annika Jahnke, Aaron J. Beck, Richard L. Becker, Daria Bedulina, Ulrike Braun, Gunnar Gerdts, Lars Hildebrandt, Hanna Joerss, Ole Klein, Janine Korduan, Christian Laforsch, Gisela Lannig, Heather A. Leslie, Stefan Lips, Frank Menger, Deedar Nabi, Sonja Oberbeckmann, Sebastian Primpke, Daniel Pröfrock, Anja F.R.M. Ramsperger, Dana Kühnel","doi":"10.1016/j.jhazmat.2025.139326","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139326","url":null,"abstract":"Plastics are widely used but improper disposal and release lead to increasing global pollution, threatening environmental and human health. To address this issue, we suggest intersectoral collaboration to achieve zero plastic pollution. The outcomes of the project P-LEACH demonstrated the enormous complexity and range of potential toxic effects of plastic-associated chemicals and micro-/nanoplastics released into water from UV-weathered plastics. We initiated an intersectoral dialogue amongst scientists, manufacturers, regulators and representatives of civil society about how to alleviate the negative impacts of plastic pollution. Circular economy offers a framework for selecting against toxic chemicals, extending product (re)use, and waste reduction, which act to alleviate pollution when applied to plastics. We suggest three measures to advance a circular economy of plastics: 1.) Increase simplicity of chemicals in virgin plastics combined with transparent information on the contents; 2.) Consider recyclability already in plastic material and product design; 3.) Foster communication through intersectoral dialogue. Major cornerstones are the provision of standardized, easy-to-use tools to characterize plastics and plastic leachates chemically and (eco)toxicologically, the enhancement of citizen awareness enabling them to make informed choices, the creation of economic incentives for manufacturers and sector-specific regulations to provide products that safeguard environmental and human health.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"13 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144677726","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}
Juliane Gabriele Martins, Vitória Bonfim Iurk, Elizangela Paz De Oliveira, Évelin Lemos De Oliveira, Caroline Rosa Silva, Angélica Priscila Parussolo Tonin, Sônia Alvim Veiga Pileggi, Eduardo Cesar Meurer, Luiz Ricardo Olchanheski, Marcos Pileggi
{"title":"Adaptation of Enterobacter sp. to herbicides is correlated with distinct patterns of quorum sensing molecules","authors":"Juliane Gabriele Martins, Vitória Bonfim Iurk, Elizangela Paz De Oliveira, Évelin Lemos De Oliveira, Caroline Rosa Silva, Angélica Priscila Parussolo Tonin, Sônia Alvim Veiga Pileggi, Eduardo Cesar Meurer, Luiz Ricardo Olchanheski, Marcos Pileggi","doi":"10.1016/j.jhazmat.2025.139324","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139324","url":null,"abstract":"In this study, we employed a model that examined bacterial response systems in an artificial environment with wash water from the packaging of several pesticides, and no nutrient supplementation, allowing for the investigation of quorum sensing (QS) signaling molecules produced by a <em>Enterobacter</em> strain isolated from this environment. The herbicide saflufenacil, which was present at the isolation site, and glyphosate, which was absent, were utilized as stress agents in an in vitro system to evaluate the biofilm formation. These adaptive mechanisms are regulated by QS, which orchestrates collective behaviors within bacterial communities and initiates stress responses through the release of autoinducer molecules. The QS signaling molecules C6-HSL, C7-HSL, and C8-HSL were analyzed using liquid chromatography coupled with mass spectrometry; these molecules are primarily involved in biofilm maturation, biofilm formation, and protection against oxidative stress, respectively. Notably, the biofilm formation exhibited two distinct strategies in <em>Enterobacter</em> sp. CMA55A. One strategy, likely coordinated by the three QS molecules, was associated with the presence of saflufenacil in the culture medium, at concentrations presumably similar to those at the strain's isolation site. The second strategy, without these QS coordination, was observed in response to glyphosate and the highest concentration of saflufenacil, conditions not present at the isolation site. Future comparative genomic and transcriptomic studies may provide insights into these plastic responses and facilitate the exploration of potential applications in the bioremediation of various xenobiotics at differing concentrations in contaminated ecosystems.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"276 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678184","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}
José Fernandes, Paulo J. Ramísio, Stijn W.H. Van Hulle, Hélder Puga
{"title":"Ultrasound-assisted advanced oxidation removal of contaminants of emerging concern: A review on present status and an outlook to future possibilities","authors":"José Fernandes, Paulo J. Ramísio, Stijn W.H. Van Hulle, Hélder Puga","doi":"10.1016/j.jhazmat.2025.139164","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139164","url":null,"abstract":"The presence of contaminants of emerging concern (CECs) in wastewater poses significant environmental and public health risks. In recent years, increasing efforts have focused on mitigating these risks by reducing CEC concentrations in wastewater treatment plants (WWTPs). Ultrasonic processes, and consequent effects of generated acoustic cavitation, have emerged as a promising solution due to their reliance on physical mechanisms that are considered green. However, it is well established that ultrasound alone achieves limited removal efficiencies for CECs, making its standalone application inadequate for large-scale implementation. This review examines the current progress in ultrasound-based wastewater treatment, emphasizing its integration with oxidants and adsorbents to enhance degradation efficiency. Although research in this field has grown, critical gaps remain, particularly in optimizing operational parameters, understanding the influence of complex water matrices, and bridging the gap between laboratory-scale studies and real-world applications. Most studies indicate that ultrasound has significant potential, especially in reducing chemical usage and treatment time, but remains largely confined to small-scale experiments. Further research is essential to develop pilot-scale studies, refine process conditions, and assess long-term feasibility for full-scale wastewater treatment. Despite these challenges, ultrasound-assisted processes represent a promising green technology that could contribute to more sustainable and efficient WWTPs by reducing reliance on high-footprint treatment methods.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"10 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144669876","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}
{"title":"Thermal Decomposition of Fluoropolymers: Stability, Decomposition Products, and Possible PFAS Release","authors":"Alireza Arhami Dolatabad, Xuejia Zhang, Jiamin Mai, Alena Kubátová, Jiefei Cao, Feng Xiao","doi":"10.1016/j.jhazmat.2025.139322","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139322","url":null,"abstract":"The thermal degradation of fluoropolymers poses potential environmental and regulatory challenges due to their emissions of fluorinated byproducts. This study investigates the thermal stability and degradation products of polytetrafluoroethylene (PTFE), polychlorotrifluoroethylene (PCTFE), and polyvinylidene fluoride (PVDF) across temperatures ranging from 200 to 890 °C. Different from previous studies, no short- or long-chain per- and polyfluoroalkyl substances (PFAS) were detected under any tested condition. Among the investigated polymers, PTFE have shown highest stability, remaining intact until ≥550 °C and then mainly depolymerizing to tetrafluoroethylene (C₂F₄). In contrast, PCTFE and PVDF degrade at lower temperatures (400–500 °C), generating halogenated byproducts such as chlorotrifluoroethene (C<ce:inf loc=\"post\">2</ce:inf>ClF<ce:inf loc=\"post\">3</ce:inf>), chloropentafluoro-1-propene (C<ce:inf loc=\"post\">3</ce:inf>ClF<ce:inf loc=\"post\">5</ce:inf>), fluorobenzenes (C<ce:inf loc=\"post\">6</ce:inf>H<ce:inf loc=\"post\">3</ce:inf>F<ce:inf loc=\"post\">3</ce:inf>, C<ce:inf loc=\"post\">6</ce:inf>H<ce:inf loc=\"post\">4</ce:inf>F<ce:inf loc=\"post\">2</ce:inf>), and dichlorohexafluorobutene (C<ce:inf loc=\"post\">4</ce:inf>Cl<ce:inf loc=\"post\">2</ce:inf>F<ce:inf loc=\"post\">6</ce:inf>) that was detected for the first time. This study reports the first-time yields of fluorine (F) release varied across the different fluoropolymers, with PTFE exhibiting the highest F yield, releasing up to 0.8<ce:hsp sp=\"0.25\"></ce:hsp>g fluorine/g PTFE at 600 °C, whereas PCTFE and PVDF peaked at ~0.4 and 0.5<ce:hsp sp=\"0.25\"></ce:hsp>g/g, respectively, near 500 °C.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"47 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144669881","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}
Yu Liu, Shuhan Li, Xinyu Song, Mark Bartlam, Yingying Wang
{"title":"Differential responses of bacterial and archaeal communities to biodegradable and non-biodegradable microplastics in river","authors":"Yu Liu, Shuhan Li, Xinyu Song, Mark Bartlam, Yingying Wang","doi":"10.1016/j.jhazmat.2025.139327","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139327","url":null,"abstract":"Microplastics are widespread environmental pollutants that pose risks to ecosystems, yet their effects on bacterial and archaeal communities in aquatic ecosystems remain understudied. In this study, we performed a 14-day microcosm experiment combined with metagenomic sequencing to compare bacterial and archaeal responses to a biodegradable microplastic (polylactic acid, PLA) and a non-biodegradable microplastic (polyvinyl chloride, PVC). Microplastics selectively enriched distinct microbial assemblages, with Pseudomonadota and Euryarchaeota identified as the dominant bacterial and archaeal phyla, accounting for 67.83% and 15.95%, respectively. Archaeal community in surrounding water were more sensitive to colonization time than bacterial community. Compared to the surrounding water, the plastisphere displayed simpler and more loosely connected microbial networks. Notably, co-occurrence networks of both bacteria and archaea in the PVC plastisphere were predominantly shaped by symbiotic interactions. Both bacteria and archaea carried diverse antibiotic resistance genes (ARGs), but PLS-PM indicated that bacteria were the primary drivers of ARG dissemination (path coefficient = 0.952). While the PVC plastisphere showed higher ARG abundance than the PLA plastisphere, elevated <ce:italic>intI1</ce:italic> expression in the PLA plastisphere suggests a potentially greater risk of ARG dissemination associated with PLA microplastics. These findings reveal the distinct effects of PLA and PVC microplastics on microbial communities and highlight the role of microplastics in ARG dissemination, emphasizing their ecological risks in aquatic ecosystems.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"94 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144669874","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}
{"title":"A New Approach Methodology (NAM) for carcinogenicity prediction of organic chemicals using the Multiclass ARKA framework and machine-learning-based stacking regression","authors":"Arkaprava Banerjee, Kunal Roy","doi":"10.1016/j.jhazmat.2025.139302","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139302","url":null,"abstract":"The accumulation of organic pollutants in the environment has significantly impacted the lives of flora and fauna, resulting in disruptions in the biological ecosystem. Carcinogenicity has been one of the most alarming adverse effects exhibited by these chemicals, affecting millions worldwide. In this study, we developed simple Quantitative Structure-Activity Relationship (QSAR) models to predict the Oral Slope Factor (OSF) and Inhalation Slope Factor (ISF) of organic pollutants, identifying and prioritizing their carcinogenicity risks. To further enhance the quality of the models, we also considered read-across-derived similarity measures using the quantitative Read-Across Structure-Activity Relationship (q-RASAR) approach, and the response range-specific contribution of different features using the multiclass Arithmetic Residual in K-groups Analysis (ARKA) framework. Various Machine Learning-based stacking regressors were trained using the results from the different modeling workflows, and the best algorithm was selected based on a multi-criteria decision-making approach. The results show that the Linear Support Vector Regression model performed best on the OSF data (<span><math><msub is=\"true\"><mrow is=\"true\"><mi is=\"true\" mathvariant=\"italic\">MAE</mi></mrow><mrow is=\"true\"><mi is=\"true\" mathvariant=\"italic\">Test</mi></mrow></msub><mo is=\"true\" linebreak=\"goodbreak\" linebreakstyle=\"after\">=</mo><mn is=\"true\">0.907</mn><mo is=\"true\" stretchy=\"false\">)</mo></math></span>, while the Ridge Regression model performed best on the ISF data (<span><math><msub is=\"true\"><mrow is=\"true\"><mi is=\"true\" mathvariant=\"italic\">MAE</mi></mrow><mrow is=\"true\"><mi is=\"true\" mathvariant=\"italic\">Test</mi></mrow></msub><mo is=\"true\" linebreak=\"goodbreak\" linebreakstyle=\"after\">=</mo><mn is=\"true\">0.827</mn><mo is=\"true\" stretchy=\"false\">)</mo></math></span>. They also showed that the improved modeling workflows generate better prediction performance. Predictions for a true external set showed that the results align well with the reported carcinogenic status.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"53 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144678152","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}
Xiao Yang, Can Zhang, Yuanyuan Pan, Sang Zou, Jun-Hu Cheng
{"title":"Molecular mechanism of bacterial outer membrane lysis through cold plasma reactive species evolution","authors":"Xiao Yang, Can Zhang, Yuanyuan Pan, Sang Zou, Jun-Hu Cheng","doi":"10.1016/j.jhazmat.2025.139313","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139313","url":null,"abstract":"Gram-negative bacteria, especially those with multidrug resistance, prevent the entry of antibacterial substances due to the presence of the outer membrane (OM). In response to such permeability issues, the development of novel antimicrobial technologies has focused on disrupting the bacterial OM of Gram-negative bacteria. Cold atmospheric plasma (CAP), as an emerging sterilization method, has shown promise in overcoming bacterial infection due to the reactive species generation. However, the molecular mechanisms underlying CAP-induced OM lysis remain largely unexplored. In this study, the relationship between OM components and CAP-induced bacterial lysis was investigated from the perspective of OM proteins and lipopolysaccharides (LPS). An integrated simulation and experimental approach, including biological effect, proteomics, plasma numerical simulation, and molecular simulation was utilized to elucidate the bacterial lysis induced by CAP through the destruction of the OM components mediated by the reactive species evolution. The reactive species produced by CAP caused the bacterial cell lysis by disrupting OM proteins and LPS, which was verified by molecular dynamics simulations. Notably, the bacteria resisting the lysis by regulating rescue pathways was mainly related to the fatty acid biosynthesis, LPS synthesis and transport, and OM proteins assembly. Additionally, CAP might disrupt the dense OM structure by attacking divalent metal ions used for bridging LPS molecules. Taken together, the findings shed light on the comprehensive molecular mechanisms of the interplay between CAP and OM, with potential implications for the development and engineering of CAP technologies.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"8 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-07-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144664583","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}