Journal of Hazardous Materials最新文献_第4页

Quantifying the environmental fate and source of nitrate contamination using dual-isotope tracing coupled with nitrogen cascade model on the basin scale 利用双同位素追踪和流域尺度氮级联模型量化硝酸盐污染的环境归宿和来源

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136594

Zihan Zhao, Xinghua He, Sidi Chen, Letian Ning, Kexin Chen, Yanhua Wang

{"title":"Quantifying the environmental fate and source of nitrate contamination using dual-isotope tracing coupled with nitrogen cascade model on the basin scale","authors":"Zihan Zhao, Xinghua He, Sidi Chen, Letian Ning, Kexin Chen, Yanhua Wang","doi":"10.1016/j.jhazmat.2024.136594","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136594","url":null,"abstract":"Nitrate (NO3−) contamination in riverine networks has threatened the environment and human health. Clarifying the NO3− source and environmental fate within the basin under different underlying surfaces is essential for water body protection, especially China's two mother rivers. A series of combination methods were established i.e., field survey, index measurements, isotope-tracing techniques, and material flow analysis in four typical basins to investigate the spatiotemporal variation and source of NO3− pollution and nitrogen cascade characteristics. The dual-isotope coupled with MixSIAR model revealed that manure and sewage were the major NO3− source in the irrigation basin (WY, 76.7%), hilly mountainous basin (YC, 52.3%), and plateau lake basin (DC, 48.7%). However, for the plain-river network basin (CZ), soil leachate was the main source (55.5%). In terms of the N losses to water within agri-environment system, livestock-breeding system in three basins made the biggest contribution among the systems, WY (77.3%), YC (47.3%), and DC (41.8%). While in CZ, about 34.4% of N was delivered from the crop-production system. The N cascade model verified the results of isotope-tracing techniques for each basin. The study provides new insight into NO3−-tracing combining hydrogeochemical indicators, isotopic-tracing techniques, and material flow analysis and guides strategies for mitigating the negative impacts of NO3− pollution on aquatic environments on basin scale.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"23 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673580","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

Plastic debris accumulated on Sargassum algae stranded biomass are vectors for different As(V) and As(III) forms 马尾藻搁浅生物体上积累的塑料碎片是不同形式砷（V）和砷（III）的载体

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136579

Ana.E. Pradas del Real, Delphine Vantelon, Charlotte Catrouillet, Imane Khatib, Rémi Tucoulou, Camille Rivard, Sebastian Schoeder, Julien. Gigault, Mélanie. Davranche

{"title":"Plastic debris accumulated on Sargassum algae stranded biomass are vectors for different As(V) and As(III) forms","authors":"Ana.E. Pradas del Real, Delphine Vantelon, Charlotte Catrouillet, Imane Khatib, Rémi Tucoulou, Camille Rivard, Sebastian Schoeder, Julien. Gigault, Mélanie. Davranche","doi":"10.1016/j.jhazmat.2024.136579","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136579","url":null,"abstract":"This work shows that the plastic debris accumulated along with stranded Sargassum biomass in Guadeloupe’s beaches contains different forms of arsenic. Results from synchrotron nano X-ray Fluorescence (nanoXRF) and nano X-ray Absorption Near Edge Structure (nanoXANES) show that arsenate (As(V) in a tetrahedral coordination) present in seawater is complexed in the algae cell walls in an octahedral As(V) form, which is subsequently reduced to As(III) within the algae. Inorganic As(III) is either excreted or may undergo methylation and/or binding to glutathione, which is then stored in the algal cells or excreted. The areas where As is colocalized with a variety of metals (Si, K, Ca, Fe, Ni Cu and Zn) may correspond with areas in which algae tissues remain adhered to the surface of the plastics. On the opposite, the areas in which As is found together with Ti or Cl may correspond with areas in which the algae has been decomposed or in which As has been adsorbed after being secreted by the algae. Results from this study should be taken into account to assess the ecotoxicological impacts of Sargassum biomass accumulated on beaches, as well as for the planning of its valorization. Plastics within the Sargassum biomass can act as vectors for arsenic, facilitating its transfer to other environmental compartments where the biomass is used or when it is ingested by various organisms. In a context of a growing problem of plastic pollution and a more and more frequent algae blooms, these results are particularly relevant.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"3 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673565","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

Microplastic-induced changes in Cd and Cr behavior in the agricultural soil-wheat system: Insights into metal bioavailability and phytotoxicity 微塑料诱导的农业土壤-小麦系统中镉和铬行为的变化：金属生物利用率和植物毒性的启示

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136592

Chun-dan Gan, Yu-liang Liao, Heng-bo Liu, Jin-yan Yang, Aleksander Nikitin

{"title":"Microplastic-induced changes in Cd and Cr behavior in the agricultural soil-wheat system: Insights into metal bioavailability and phytotoxicity","authors":"Chun-dan Gan, Yu-liang Liao, Heng-bo Liu, Jin-yan Yang, Aleksander Nikitin","doi":"10.1016/j.jhazmat.2024.136592","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136592","url":null,"abstract":"Microplastics (MPs) and heavy metals widely coexist in agricultural soils, posing significant risks to soil-plant ecosystems. This study explores the effects of five common MPs—polyethylene (PE), polypropylene (PP), polyvinyl chloride (PVC), polystyrene (PS), and polylactic acid (PLA)—and environmental-simulating microplastics (EMPs), composed based on the composition of local MPs in agricultural soils, on the bioavailability and phytotoxicity of Cd and Cr in soils. Pot experiments demonstrated that MPs, particularly PE and EMPs at a 5% dosage, markedly decreased soil pH, water-holding capacity, and soil organic carbon content. This decrease in pH led to enhanced Cd and Cr mobility and bioavailability, especially with PE and EMPs increasing Cr bioavailability in 15 cm depth soil by up to 43.9% and 37.8%, respectively. In soils with 2.1 mg/kg of Cd and 390 mg/kg of Cr, both 1% and 5% doses of MPs inhibited wheat growth while enhancing the uptake and translocation of Cd and Cr in wheat. Notably, PE, PS, PLA, and EMPs exposure significantly elevated levels of oxidative stress markers (SOD, POD, CAT, and MDA) in wheat. These findings highlight the importance of further research on the combined impacts of MPs and heavy metals on soil health and plant safety.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"57 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673602","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 with innovative outlier detection techniques for predicting heavy metal contamination in soils 采用创新离群点检测技术的机器学习模型用于预测土壤中的重金属污染

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136536

Ram Proshad, S.M. Asharaful Abedin Asha, Ron Tan, Yineng Lu, Md Anwarul Abedin, Zihao Ding, Shuangting Zhang, Ziyi Li, Geng Chen, Zhuanjun Zhao

{"title":"Machine learning models with innovative outlier detection techniques for predicting heavy metal contamination in soils","authors":"Ram Proshad, S.M. Asharaful Abedin Asha, Ron Tan, Yineng Lu, Md Anwarul Abedin, Zihao Ding, Shuangting Zhang, Ziyi Li, Geng Chen, Zhuanjun Zhao","doi":"10.1016/j.jhazmat.2024.136536","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136536","url":null,"abstract":"Machine learning (ML) models for accurately predicting heavy metals with inconsistent outputs have improved owing to dataset outliers, which influence model reliability and accuracy. A comprehensive technique that combines machine learning and advanced statistical methods was applied to assess data outlier’s effects on ML models. Ten ML models with three outlier detection methods predicted Cr, Ni, Cd, and Pb in Narayanganj soils. XGBoost with density-based spatial clustering of applications with noise (DBSCAN) improved model efficacy (R2). The R2 of Cr, Ni, Cd, and Pb was considerably enhanced by 11.11%, 6.33%, 14.47%, and 5.68%, respectively, indicating that outliers affected the model's HM prediction. Soil factors affected Cr (80%), Ni (72.61%), Cd (53.35%), and Pb (63.47%) concentrations based on feature importance. Contamination factor prediction showed considerable contamination for Cr, Ni, and Cd. LISA revealed Cd (55.4%), Cr (49.3%), and Pb (47.3%) as the significant pollutant (p < 0.05). Moran's I index values for Cr, Ni, Cd, and Pb were 0.65, 0.58, 0.60, and 0.66, respectively, indicating strong positive spatial autocorrelation and clusters with similar contamination. Finally, this work successfully assessed the influence of data outliers on the ML model for soil HM contamination prediction, identifying crucial regions that require rapid conservation measures.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"37 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142670756","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

Perspectives on using peat records to reconstruct past atmospheric Hg levels 利用泥炭记录重建过去大气中汞含量的视角

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136581

Chuxian Li, Maxime Enrico, Kevin Bishop, Stephen J. Roberts, Dominic A. Hodgson, Mariusz Lamentowicz, Dmitri Mauquoy, Adrien Mestrot, Martin Grosjean

{"title":"Perspectives on using peat records to reconstruct past atmospheric Hg levels","authors":"Chuxian Li, Maxime Enrico, Kevin Bishop, Stephen J. Roberts, Dominic A. Hodgson, Mariusz Lamentowicz, Dmitri Mauquoy, Adrien Mestrot, Martin Grosjean","doi":"10.1016/j.jhazmat.2024.136581","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136581","url":null,"abstract":"Anthropogenic mercury (Hg) emissions to the atmosphere have increased the concentration of this potent neurotoxin in terrestrial and aquatic ecosystems. The magnitude of regional variation in atmospheric Hg pollution levels raises questions about the interactions between natural processes and human activities at local and regional scales that are shaping global atmospheric Hg cycling. Peatlands are potentially valuable and widespread records of past atmospheric Hg levels that could help address these questions. This perspective aims to improve the utility of peatlands as authentic Hg archives by summarizing the processes that could affect Hg cycling in peatlands. We identify the overlooked role of peat vegetation species and their primary productivity in Hg sequestration under climatic and anthropogenic activities. We provide recommendations to improve the reliability of using peat cores to reconstruct the atmospheric Hg levels from past decades to millennia. Better information from peatland archives on regional variation in atmospheric Hg levels will be of value for testing hypotheses about the processes controlling global Hg cycling. This information can also contribute to evaluating how well international efforts under the UNEP Minamata Convention are succeeding in reducing atmospheric Hg levels and deposition in different regions.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"13 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671036","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

Comprehensive analysis of epigenetic modifications in alfalfa under cadmium stress 镉胁迫下紫花苜蓿表观遗传修饰的综合分析

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136545

Lin Chen, Xianyang Li, Hao Liu, Fei He, Mingna Li, Ruicai Long, Xue Wang, Junmei Kang, Qingchuan Yang

{"title":"Comprehensive analysis of epigenetic modifications in alfalfa under cadmium stress","authors":"Lin Chen, Xianyang Li, Hao Liu, Fei He, Mingna Li, Ruicai Long, Xue Wang, Junmei Kang, Qingchuan Yang","doi":"10.1016/j.jhazmat.2024.136545","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136545","url":null,"abstract":"Epigenetics plays an important role in plant growth and development and in environmental adaptation. Alfalfa, an important forage crop, is rich in nutrients. However, little is known about the molecular regulatory mechanisms underlying the response of alfalfa to cadmium (Cd) stress. Here, we performed DNA methylation (5mC), RNA methylation (m6A) and transcriptomic sequencing analyses of alfalfa roots under Cd stress. Whole-genome methylation sequencing and transcriptomic sequencing revealed that Cd stress reduced DNA methylation levels. Moreover, a reduced 5mC methylation level was associated with decreased expression of several DNA methyltransferase genes. Compared with those under normal (CK) conditions, the m6A modification levels under Cd stress were greater and were positively correlated with gene expression in alfalfa roots. We also found a negative correlation between the 5mC level and the m6A level, especially in CG and CHG contexts. In yeast, the overexpression of MsNARMP5 (natural resistance-associated macrophage protein) and MsPCR2 (plant cadmium resistance 2), which are modified by 5mC or m6A, significantly increased Cd stress tolerance. These results provide candidate genes for future studies on the mechanism of Cd stress tolerance in alfalfa roots and valuable information for studying heavy metal stress in alfalfa breeding.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"52 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671102","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

An efficient Ni-based adsorbent for selective removal of 85Kr and 14CH4 in radioactive contaminants from nuclear process off-gas stream 用于选择性去除核工艺废气流中放射性污染物 85Kr 和 14CH4 的高效镍基吸附剂

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136596

Qi Wang, Shujiang Liu, Yuqiang Sheng, Zhanying Chen, Xiubo Min, Yi Zhou, Baogang Zhao, Tianjun Sun

{"title":"An efficient Ni-based adsorbent for selective removal of 85Kr and 14CH4 in radioactive contaminants from nuclear process off-gas stream","authors":"Qi Wang, Shujiang Liu, Yuqiang Sheng, Zhanying Chen, Xiubo Min, Yi Zhou, Baogang Zhao, Tianjun Sun","doi":"10.1016/j.jhazmat.2024.136596","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136596","url":null,"abstract":"Efficient adsorbents for radioactive gas treatment in nuclear energy cycle is crucial for eliminating negative environmental impacts caused by wide nuclear applications. A Ni-based MOF material called JUC-86(Ni) which is based on 1-H-benzimidazole-5-carboxylic acid (HBIC) linker was synthesized for adsorbing the 85Kr, 14CH4 from off-gas stream. It was disclosed that there is a suitable pore environment for 85Kr and 14CH4 preferred adsorption in JUC-86 and the adsorption capacity could even reach 2.79 mmol/g (85Kr) and 2.54 mmol/g (14CH4) which are almost higher than all the adsorbents. The 85Kr/N2 and 14CH4/N2 IAST selectivities of the resulting sample are satisfactory (11.63 and 9.43) and well matched with the breakthrough experiments where the breakthrough times of 85Kr and 14CH4 are much longer than N2. What’s more, the adsorption heats of 85Kr and 14CH4 are less than 30 kJ/mol which indicated a stronger affinity than N2 and a low-energy regeneration. As simulation results showed that the adsorption distribution follows a-spiral-pattern which could be attributed to the N atom in the C=N, this is also the dominant factor of the 85Kr and 14CH4 preferable adsorption.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"252 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142673563","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

Molecular Characteristics of Organic Matters in PM2.5 Associated with Upregulation of Respiratory Virus Infection in Vitro PM2.5 中有机物的分子特征与体外呼吸道病毒感染的上调有关

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136583

Juying Lin, Wei Sun, Shuyi Peng, Yaohao Hu, Guohua Zhang, Wei Song, Bin Jiang, Yuhong Liao, Chenglei Pei, Jinpu Zhang, Jianwei Dai, Xinming Wang, Ping’an Peng, Xinhui Bi

{"title":"Molecular Characteristics of Organic Matters in PM2.5 Associated with Upregulation of Respiratory Virus Infection in Vitro","authors":"Juying Lin, Wei Sun, Shuyi Peng, Yaohao Hu, Guohua Zhang, Wei Song, Bin Jiang, Yuhong Liao, Chenglei Pei, Jinpu Zhang, Jianwei Dai, Xinming Wang, Ping’an Peng, Xinhui Bi","doi":"10.1016/j.jhazmat.2024.136583","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136583","url":null,"abstract":"The extent to which organic matters (OM) in PM2.5 affect virus infections and the key organic molecules involved in this process remain unclear. Herein, this study utilized ultra-high resolution mass spectrometry coupled with in vitro experiments to identify the organic molecules associated with respiratory virus infection for the first time. Water-soluble organic matters (WSOM) and water-insoluble organic matters (WIOM) were separated from PM2.5 samples collected at the urban area of Guangzhou, China. Their molecular compositions were analyzed using Fourier transform ion cyclotron resonance mass spectrometry. Subsequently, in vitro experiments were conducted to explore the impact of WSOM and WIOM exposure on the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pseudo-virus infection in A549 cells. Results revealed that WSOM and WIOM respectively promoted 1.7 to 2.1-fold and 1.9 to 3.5-fold upregulation of SARS-CoV-2 pseudo-virus infection in a concentration-dependent manner (at 25 to 100 μg mL-1) compared to the virus-only control group. Partial least squares model analysis indicated that the increased virus infection was likely related to phthalate ester and nitro-aromatic molecules in WSOM, as well as LipidC molecules with aliphatic and olefinic structures in WIOM. Interestingly, the molecules responsible for upregulating SARS-CoV-2 receptor angiotensin-converting enzyme 2 (ACE2) expression and virus infection differed. Thus, it was concluded that ACE2 upregulation alone may not fully elucidate the mechanisms underlying increased susceptibility to virus infection. The findings highlight the critical importance of aromatic and lipid molecules found in OM in relation to respiratory virus infection.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"39 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142670996","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

A machine learning feature descriptor approach: Revealing potential adsorption mechanisms for SF6 decomposition product gas-sensitive materials 机器学习特征描述方法：揭示 SF6 分解产物气敏材料的潜在吸附机制

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136567

Mingxiang Wang, Qingbin Zeng, Dachang Chen, Yiyi Zhang, Jiefeng Liu, Changyou Ma, Pengfei Jia

{"title":"A machine learning feature descriptor approach: Revealing potential adsorption mechanisms for SF6 decomposition product gas-sensitive materials","authors":"Mingxiang Wang, Qingbin Zeng, Dachang Chen, Yiyi Zhang, Jiefeng Liu, Changyou Ma, Pengfei Jia","doi":"10.1016/j.jhazmat.2024.136567","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136567","url":null,"abstract":"The man-made gas sulfur hexafluoride (SF6) is an excellent and stable insulating medium. However, some insulation defects can cause SF6 to decompose, threatening the safe operation of power grids. Based on this, it is of great significance to find and effectively control the decomposition products of SF6 in time. Gas sensors have proven to be an effective way to detect these decomposition gases (SO2, SOF2, SO2F2, H2S, and HF). Nanomaterials with gas-sensitive properties are at the heart of gas sensors. In recent years, data-driven machine learning (ML) has been widely used to predict material properties and discover new materials. However, it has become a major challenge to establish a common model between material properties derived from various types of calculations and intelligent algorithms. In order to make some progress in addressing this challenge. In this work, 250 data sets were extracted from 52 publications exploring the detection of SF6 decomposition products by nanocomposites based on relevant work over the past 10 years, and the adsorption behavior of SF6 decomposition products can be predictively analyzed. By comparing six different algorithmic models, the best model for predicting the adsorption distance (XGBoost: R2 = 91.94 %) and adsorption energy (GBR: R2 = 78.63 %) of SF6 decomposed gas was identified. Subsequently, the importance of each of the selected feature descriptors in predicting the gas adsorption effect was explained. This work combines first-principles computational results and machine-learning algorithms with each other to provide a new research idea for evaluating the gas sensing capability of nanocomposites.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"33 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671046","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-Assisted SERS Sensor for Fast and Ultrasensitive Analysis of Multiplex Hazardous Dyes in Natural Products 机器学习辅助 SERS 传感器用于快速、超灵敏地分析天然产品中的多重有害染料

IF 13.6 1区环境科学与生态学

Journal of Hazardous Materials Pub Date : 2024-11-19 DOI: 10.1016/j.jhazmat.2024.136584

Chengqi Lin, Cheng Zheng, Bo Fan, Chenchen Wang, Xiaoping Zhao, Yi Wang

{"title":"Machine Learning-Assisted SERS Sensor for Fast and Ultrasensitive Analysis of Multiplex Hazardous Dyes in Natural Products","authors":"Chengqi Lin, Cheng Zheng, Bo Fan, Chenchen Wang, Xiaoping Zhao, Yi Wang","doi":"10.1016/j.jhazmat.2024.136584","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2024.136584","url":null,"abstract":"The adulteration of natural products with multiple azo dyes has become a serious public health concern. Thus, on-site trace additive detection is demanded. Herein, we developed a gold-nanorod-based surface-enhanced Raman scattering (SERS) sensor to detect trace amounts of azo dyes, including lemon yellow, sunset yellow, golden orange II, acid red 73, coccine, and azorubine. After optimizing pre-processing steps, the additives were separated and identified through visual observation. The stable and sensitive SERS sensor developed enabled accurate detection of the added colorants. Density Functional Theory confirmed that the characteristic SERS peaks of the six dyes were accurate and credible. The optimized SERS sensor achieved a detection limit of 50 mg of dye per kilogram of raw material. A SERS spectral dataset comprising 960 replicates from all 64 potential dye combinations was generated, forming robust training sets. The K-Nearest Neighbor model exhibited best performance, identifying dye additives in real samples with a 91% success rate. This model was further validated by screening nine randomly collected safflower batches, identifying three with illegal dye additives, which were subsequently confirmed by HPLC. Summarily, the developed SERS sensor and classification model offer an ultrasensitive, and reliable approach for on-site detection of hazardous dyes in natural products.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"27 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2024-11-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142671041","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