Journal of Hazardous Materials最新文献

{"title":"Microplastic pollution in water and sediment in the Henan section of the Yellow River based on the MultiMP comprehensive evaluation method","authors":"Furong Yu, Conghui Yan, Zhiping Li, Yuekun Ji, Yue Jin","doi":"10.1016/j.jhazmat.2025.139059","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139059","url":null,"abstract":"This study investigates the current state of microplastic (MP) pollution and ecological risks in the middle and lower reaches of the Yellow River, focusing on the Henan section. Using the advanced MultiMP risk assessment method, both surface water and sediment environments were comprehensively evaluated. Results indicate that MPs were detected in both environments, with surface water abundance ranging from 3.35–12.6<!-- --> <!-- -->n/L and sediment abundance from 206–1647<!-- --> <!-- -->n/kg. In terms of the main characteristics of MPs, the most common particle size ranged from 25 to 150 μm; fibrous shapes were the most abundant in both surface water and sediments; transparent MPs had the highest proportion in terms of color; and in terms of polymer composition, polyethylene (PE) and polypropylene (PP) were the main polymers found in surface water, while PE and polyethylene terephthalate (PET) were more common in sediments. Environmental factors influencing the MP distribution were also investigated. The abundance of MPs in surface water was closely related to total phosphorus (WTP) and total nitrogen (WTN), while the abundance of MPs in sediments was closely associated with the sediment particle size. MultiMP assessment results show medium risk for surface water and high risk for most sediments in the Henan section of the Yellow River Basin, with differing main factors affecting risk levels in the two environments. These findings fill regional research gaps and provide data support and theoretical foundations for effective MP pollution management in the Yellow River Basin.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"21 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479461","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":"Structural-Interfacial Engineering of MOF-functionalized Aerogels for Efficient Photocatalytic Reduction of Cr(VI)","authors":"Enjie Wu, Jintao Zhou, Dianming Ren, Honggui He, Jingyu Pan, Chuqing Tang, Xupin Zhuang","doi":"10.1016/j.jhazmat.2025.139019","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139019","url":null,"abstract":"Hexavalent chromium (Cr(VI)) contamination poses severe ecological risks due to its carcinogenicity and prevalence in industrial wastewater, where metal-organic frameworks (MOFs) show photocatalytic remediation potential. However, powdered MOFs suffer from poor recyclability and secondary pollution risks in practical applications. This study proposes an integrated structural-interfacial engineering strategy that combines the design of a robust three-dimensional fiber network framework with the interfacial engineering of MOFs and cellulose nanofibers to fabricate robust MOF-functionalized aerogel (MOFA) photocatalyst. The MOFAs feature hierarchical coordination effects enabling precise MOF crystallization control, achieving ultrahigh MOF loading (76.77<!-- --> <!-- -->wt%), mechanical robustness (29 kPa stress at 70% compression), exceptional stability (6.7% permanent deformation after 100 cycles), and enhanced photocatalytic activity (photocurrent density of 2.87 μA/cm²). The optimized interfacial structure delivers superior adsorption (67%) and photocatalytic performance (100% Cr(VI) reduction in 80<!-- --> <!-- -->minutes, &gt;94% efficiency retention after 5 cycles), validated across diverse water matrices including high-salinity tanning wastewater under outdoor conditions. This innovative strategy offers a new design approach for developing high-performance photocatalytic materials and holds important application prospects in environmental governance.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"629 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479465","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":"Bacterial life-history trade-offs under biodegradable and conventional microplastics in cinnamon and lime concretion black soils","authors":"Hui Zhang, Yinghong Sun, Shuxian Zhao, Dengfeng Zuo, Zhixian Sun, Chenxi Sun, Xinxin Hu","doi":"10.1016/j.jhazmat.2025.139056","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139056","url":null,"abstract":"Microplastics (MPs) have emerged as a global environmental pollutant of growing concern, with soil serving as a critical sink for terrestrial MPs. However, the life-history trade-offs of soil bacteria to various MPs in different soils remain unclear. Here, we investigated the adaptive signatures of bacterial communities to two biodegradable and four conventional MPs in cinnamon soil and lime concretion black soil. Our results showed that bacterial diversity, composition, potential functional profiles, life-history strategies, resistance, and co-occurrence networks significantly changed under MP exposure, with soil type playing a key role. Specifically, poly(butylene succinate) (PBS), a biodegradable plastic, exerted a greater influence on bacterial diversity, community structure, and functional profiles than the other MPs in both soils. PBS MPs promoted the prevalence of copiotrophs (r-strategists), indicating reduced bacterial resistance relative to the control conditions, whereas most other MPs enhanced bacterial resistance. Moreover, PBS MPs significantly reduced the richness and evenness of both the oligotrophic and copiotrophic taxa. Co-occurrence network analysis revealed decreased stability of the overall bacterial networks, as well as oligotrophic and copiotrophic taxa, following the addition of MPs, particularly PBS. These changes may disrupt soil carbon cycling, thereby threatening soil carbon sequestration and climate regulation. Our findings provide critical insights into the bacterial life-history strategies under MP stress in different soils, useful for the risk assessment and management of MP pollution.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"21 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479466","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 Total Concentration to Bioaccessible Load: Reassessing Soil Heavy Metal(loid)s Risks Through Probabilistic Exposure Approach and Toxicokinetic Modeling","authors":"Shiyi Yi, Xiaonuo Li, Weiping Chen","doi":"10.1016/j.jhazmat.2025.139062","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139062","url":null,"abstract":"Traditional health risk assessment (HRA) generally overlooks bioaccessibility, potentially leading to overestimated risk estimates. In this study, we systematically investigated the heavy metal(oid)s (HMs) characteristics of 126 soil samples collected from an industrial agglomeration area, based on which, in vitro assays were conducted to test bioaccessible HMs concentrations, and further integrated into both probabilistic HRA and the prediction of internal exposure levels. The study results of probabilistic HRA indicated that both scenarios showed negligible non-carcinogenic risks (with and without bioaccessibility), but the probabilities of non-carcinogenic risks could decrease by 82.83% for adults and 78.93% for children when considering bioaccessibility, along with a significant reduction on the overestimation of carcinogenic risks by approximately 70%. In addition, internal exposure levels predicted by a physiologically based toxicokinetic (PBTK) model demonstrated that incorporating bioaccessibility led to a substantial reduction in urinary HMs concentrations, with decreases ranging from 60.41% for Cd to 98.50% for Cr. Moreover, the deviations from the verification value were consistently lower and more stable across all metals and age groups, indicating that incorporating bioaccessibility into risk assessments provides a more accurate and reliable estimation of HMs exposure to avoid overestimation of associated health risks, and to support more informed decision-making in soil environmental health management.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"13 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479530","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":"Leachability of Per- and Polyfluoroalkyl Substances in Metal Recycling Streams","authors":"Erin E. Bulson, Kaitlyn J. Gruber, Andrea L. Hicks, Christina K. Remucal","doi":"10.1016/j.jhazmat.2025.139067","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139067","url":null,"abstract":"Automotive shredder residue (ASR), the remaining waste after vehicles and other metal recycling streams have been recycled, has been identified as a potential long-term per- and polyfluoroalkyl substance (PFAS) waste stream. However, the types, quantities, and potential leachability of PFAS in ASR are largely unknown. We quantified 33 targeted PFAS and extractable organic fluorine (EOF) in 15 ASR solid samples along with corresponding water-leachable measurements. The sum of targeted PFAS concentrations in ASR solids ranged from 9.4 to 104.2<!-- --> <!-- -->ng/g and was dominated by long-chain perfluorinated alkyl acids (PFAAs). In contrast, short-chain PFAAs were most susceptible to leaching, resulting in aqueous targeted PFAS concentrations of 106.8 to 1015.1<!-- --> <!-- -->ng/L. On average, 76% of perfluorooctanoic acid (PFOA) and 15% perfluorooctane sulfonate (PFOS) were water-leachable from ASR. EOF results indicated on average &gt;99% of organic fluorine in the ASR solid samples was undetected in the targeted PFAS results, demonstrating that targeted PFAS analysis underestimates the amount of organic fluorine in ASR. Results from this study indicate that ASR can leach PFAS under some conditions, which has implications for the mobility of these chemicals in stormwater and landfill systems.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"60 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479532","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":"Shapley additive explanations revealed the effects of climate, topography, anthropogenic activities and geochemical properties on soil cobalt, nickel and vanadium contents","authors":"Zhiqiang Bai, Fangyi Li, Shirong Zhang, Ting Li, Guiyin Wang, Xiaoxun Xu, Xiaomei Pan, Qinmei Zhong, Wei Zhou, Yulin Pu, Yongxia Jia","doi":"10.1016/j.jhazmat.2025.139070","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139070","url":null,"abstract":"The quantification of environmental drivers for soil heavy metals is crucial for pollution control, yet their relative importance and critical thresholds remain unquantified at the macroscale. Therefore, Shapley additive explanations based on a random forest model were used to analyze environmental drivers of soil cobalt, nickel and vanadium distributions along a 4000-km transect. These results revealed that climate was the dominant factor, followed by topography, anthropogenic activities, and soil geochemical properties. Specifically, mean annual precipitation predominantly shaped the distributions of total and residual contents of these metals through weathering-leaching equilibrium (threshold approximately 670<!-- --> <!-- -->mm), while acting synergistically with mean annual temperature (exceeding 5 °C) to promote vanadium transformation from labile to residual states. Altitude enhanced organic bound nickel and vanadium accumulation via hydrothermal and organic matter regulation. Low thresholds for population density (97 people km^-2) and electricity consumption (555017 kWh km^-2) indicated minimal anthropogenic activities could elevate carbonate bound metals through cement-derived carbonate cycling. The attenuated latitudinal trends of heavy metals were primarily attributed to biphasic effects of environmental factors and their interactive compensation. Therefore, climate dominated but synergized with other environmental drivers to collectively shape soil cobalt, nickel and vanadium distribution patterns.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"8 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479462","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":"Associations Between Urinary Polycyclic Aromatic Hydrocarbons and Glycometabolic Markers and Potential Mechanisms in Healthy Older Adults: The China BAPE study","authors":"Chenlong Li, Jianlong Fang, Yibo Xu, Jinxia Yang, Huimin Ren, Kangning Cao, Enmin Ding, Yu Wang, Chenfeng Li, Jiran Zhang, Xiaojie Guo, Jiankun Qian, Yifu Lu, Shilu Tong, Song Tang, Xiaoming Shi","doi":"10.1016/j.jhazmat.2025.139069","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139069","url":null,"abstract":"Polycyclic aromatic hydrocarbons (PAHs) have been increasingly implicated in metabolic disorders, including type 2 diabetes, yet their impact on glycometabolism in older adults remains unclear. This study investigated associations between urinary PAH metabolites and glycometabolic markers and explored underlying potential mechanisms among healthy older adults. In the China BAPE study, 70 healthy older participants were recruited and five monthly follow-up visits were conducted between September 2018 and January 2019, with the associations between six urinary PAH metabolites and five glycometabolic markers were examined in this study. We found that exposure to urinary PAH metabolites was significantly linked to elevated glycometabolic markers, and such effects were also observed for mixed PAH exposures. Urine metabolomics combined with pathway enrichment analysis revealed that PAH exposures induced metabolic perturbations involving oxidative stress, solute carrier signaling, and other diabetes-related pathways. These findings aligned with the Adverse Outcome Pathway (AOP) framework, in which potential molecular initiating events (MIEs) such as reactive oxygen species (ROS) production triggered downstream key events (KEs) in signal transduction, ultimately affecting glycometabolic function. These findings provide mechanistic evidence linking PAH exposure to glycometabolic dysregulation and underscore the importance of environmental pollutant monitoring in older adults to support metabolic health. However, the relatively small sample size and the limited coverage of measured PAH compounds may limit the generalizability and comprehensiveness of the findings, which should be validated in larger and more diverse cohorts.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"7 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479463","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":"Children’s home environments as reservoirs of antimicrobial resistance: divergent urban-rural risks from antibiotic resistance genes and pathogens","authors":"Shuang Du, Hao Tang, Zhang Wang, Han Chen, Xinyi Fang, Jin Sun, Zhiping Niu, Yiwei Liu, Yuanzhuo Hu, Wen Su, Zhenhua Zhang, Tippawan Prapamontol, Shoji F Nakayama, Jiayan Huang, Dan Norback, Qun Wu, Yongqiang Tan, Zhuohui Zhao","doi":"10.1016/j.jhazmat.2025.139053","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139053","url":null,"abstract":"Antibiotic resistance genes(ARGs) and pathogens pose a global health challenge, particularly for vulnerable children. However, limited knowledge is on their existence in home environments where children spend majority of time, even less on urban-rural differences. We collected settled dust from children’s homes in urban(n=31) and rural (n=34) areas of Shanghai, China, and analyzed microbiomes, ARGs and pathogens through metagenomic sequencing. Home dust microbial compositions differed significantly between urban and rural environment. ARGs were widely detected in home environment (rural:758 subtypes; urban:733). Significant urban-rural differences were also observed in ARGs and pathogens composition, diversity, co-occurrence patterns, assembly processes and network drivers. Specifically, rural dust was enriched with more differentially abundant ARG subtypes. Urban dust was enriched with clinically critical multidrug-resistant pathogens (e.g. <em>Acinetobacter baumannii</em>), contrasting with rural areas enriched in plant-associated pathogens. Stochastic processes dominated the assembly of ARGs and pathogens, while environmental factors partially explained their variations. Temperature was positively associated with total ARG abundance in both areas. Residential greenness had a positive relationship with ARG abundance in rural but negative in urban settings. Our findings indicated children’s homes as reservoirs of antimicrobial resistance, urging vigilance against rural ARG enrichment and urban multidrug-resistant pathogen risks for pediatric health.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"13 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144488395","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":"Chlorinated Paraffins in Plasma of Healthy Elderly Adults: Method Development, Temporal Variability, and Exposure Determinants","authors":"Ke Fang, Xiaojie Guo, Runming He, Yibin Sun, Yixuan Huang, Hongyang Cui, Yifu Lu, Wen Gu, Chao Wang, Yi Wan, Song Tang, Xiaoming Shi","doi":"10.1016/j.jhazmat.2025.139065","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139065","url":null,"abstract":"Chlorinated paraffins (CPs) are a group of persistent organic pollutants widely applied in industrial processes, raising significant concerns regarding human internal exposure through environmental and dietary pathways. Currently, there is a lack of effective and cost-efficient methods for extracting CPs from large-scale human biomonitoring samples, and short-term variations in human internal exposure remain insufficiently characterized, particularly among the vulnerable elderly population. Here a novel, rapid, and highly efficient pretreatment method was developed to simultaneously quantify CPs of varying carbon chain lengths in minimized volumes of human plasma. This method significantly reduced the required sample volume and streamlined operational steps. It also minimized matrix effects while maintaining high accuracy and precision, enabling the simultaneous extraction of 13 very-short-chain chlorinated paraffins (vSCCPs), 24 short-chain chlorinated paraffins (SCCPs), 34 medium-chain chlorinated paraffins (MCCPs), and 35 long-chain chlorinated paraffins (LCCPs) from limited plasma samples (50<!-- --> <!-- -->μL). The method detection limits (MDLs) and method quantification limits (MQLs) ranged from 0.02 to 1.80<!-- --> <!-- -->ng/mL and 0.06 to 7.21<!-- --> <!-- -->ng/mL, respectively. Using this method, we assessed temporal variability in internal CP exposure across 315 plasma samples collected over 5 consecutive months from 76 healthy elderly individuals (aged 60 to 69) in Jinan, China. The detection frequencies were highest for SCCPs (98.73%) and vSCCPs (90.48%), followed by MCCPs (31.75%) and LCCPs (16.83%). Mean plasma concentrations were 6.12<!-- --> <!-- -->ng/mL for SCCPs, 0.91<!-- --> <!-- -->ng/mL for vSCCPs, 0.33<!-- --> <!-- -->ng/mL for MCCPs, and 0.04<!-- --> <!-- -->ng/mL for LCCPs, with a declining trend observed for vSCCPs and SCCPs over time. Correlation analysis and linear mixed-effects models (LMM) suggested that diet was the primary exposure pathway for CPs, with indoor hygiene practices also showing associations. This study provides a significant methodological advancement for biomonitoring CPs exposures, offering a powerful tool for characterizing exposure dynamics and providing a groundwork for mitigating health risks associated with these persistent pollutants globally.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"17 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144479460","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":"Enhanced Volatile Methylsiloxanes Degradation through Designed Enzyme Local Electric Field","authors":"Mingna Zheng, Yanwei Li, Jinfeng Chen, Weixin Zhang, Qingzhu Zhang, Wenxing Wang","doi":"10.1016/j.jhazmat.2025.139066","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.139066","url":null,"abstract":"Widespread application of man-made chemicals volatile methylsiloxanes (VMS) has caused a variety of environmental and health issues. Enzymatic degradation of VMS can be a promising eco-friendly solution. Recent advances in the directed evolution of cytochrome P450_BM3 have shown significant potential for VMS degradation. However, the current catalytic efficiency remains insufficient for industrial application. Here, taking the <em>L</em>SilOx4 mutant-catalyzed degradation of hexamethyldisiloxane as an example, we decipher the enzymatic degradation mechanism with advanced multiscale simulations. The successful degradation of VMS involves three main processes, with the rate-determining step corresponding to hydrogen atom transfer in the enzyme-catalyzed C-H hydroxylation process, which holds an average energy barrier of 17.7<!-- --> <!-- -->kcal·mol^-1. Our findings demonstrate that the progressive evolution of the internal electric field (IEF) aligns with the experimentally observed increase in activity from wild-type P450_BM3 to engineered variants (e.g. <em>L</em>SilOx4). This correlation is further evidenced by comparisons with results from oriented external electric field (EEF) calculations. Notably, the catalytic effect of the oriented EEFs is preferentially achieved through stronger stabilization of the transition state compared to the reactant. We anticipate that our insights will pave a way for the rational design of enzymes through the evolution of their internal electric field.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"653 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-06-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144488397","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}