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AQuA-P: A machine learning-based tool for water quality assessment. AQuA-P:基于机器学习的水质评估工具。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-03 DOI: 10.1016/j.jconhyd.2025.104498
L Díaz-González, R A Aguilar-Rodríguez, J C Pérez-Sansalvador, N Lakouari

This study addresses the critical challenge of assessing the quality of groundwater and surface water, which are essential resources for various societal needs. The main contribution of this study is the application of machine learning models for evaluating water quality, using a national database from Mexico that includes groundwater, lotic (flowing), lentic (stagnant), and coastal water quality parameters. Notably, no comparable water quality classification system currently exists. Five advanced machine learning techniques were employed: extreme gradient boosting (XGB), support vector machines, K-nearest neighbors, decision trees, and multinomial logistic regression. The performance of the models was evaluated using the accuracy, precision, and F1 score metrics. The decision tree models emerged as the most effective across all water body types, closely followed by XGB. Therefore, the decision tree models were integrated into the AQuA-P software, which is currently the only software of its kind. It is recommended that these innovative water classification models be used through the AQuA-P software to facilitate informed decision-making in water quality management. This software provides a probability-based classification system that contributes to a deeper understanding of water quality dynamics. Lastly, an open-access repository containing all the datasets and Python notebooks used in our analysis is provided, allowing for easy adaptation and implementation of our methodology for other datasets worldwide.

本研究解决了评估地下水和地表水质量的关键挑战,这是满足各种社会需求的基本资源。本研究的主要贡献是应用机器学习模型来评估水质,使用墨西哥的国家数据库,其中包括地下水,流动(流动),死水(停滞)和沿海水质参数。值得注意的是,目前没有类似的水质分类系统。采用了五种先进的机器学习技术:极端梯度增强(XGB)、支持向量机、k近邻、决策树和多项逻辑回归。使用准确性、精密度和F1评分指标来评估模型的性能。决策树模型在所有水体类型中最有效,XGB紧随其后。因此,将决策树模型集成到目前同类软件中唯一的AQuA-P软件中。建议通过AQuA-P软件使用这些创新的水分类模型,以促进水质管理中的知情决策。该软件提供了一个基于概率的分类系统,有助于更深入地了解水质动态。最后,提供了一个开放访问的存储库,其中包含我们分析中使用的所有数据集和Python笔记本,从而可以轻松地针对全球其他数据集调整和实施我们的方法。
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引用次数: 0
From brushite to hydroxylapatite: A study on phosphate mineral transformation and the fate of oxytetracycline. 从刷石到羟基磷灰石:磷矿物转化与土霉素命运的研究。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-01-03 DOI: 10.1016/j.jconhyd.2025.104497
Jianan Guo, Lina Chen, Xinying Zhang, Changmin Jin, Yue Cui

Livestock manure, a common fertilizer in Chinese agriculture, can lead to environmental contamination and potential health risks due to elevated antibiotic and phosphorus levels. Importantly, the high phosphorus levels initiates transformations of phosphate minerals in soils, especially calcareous soils. These variations in phosphate mineralogy can significantly impact the migration and fate of antibiotics within the soil. However, the impact of the transformation process, particularly involving the metastable phase brushite (DCPD), on the fate of antibiotics remains unclear. In this study, we synthesized DCPD and hydroxylapatite (HAP) and examined their transformation process to assess their removal capacity and investigate the migration and fate of oxytetracycline (OTC). The findings reveal that HAP exhibits a maximum immobilization capacity for OTC of 20.10 mg/g, surpassing that of DCPD by 2.56 times (7.86 mg/g). This disparity in immobilization capacity between DCPD and HAP leads to a redistribution of OTC between the solid and liquid phases during the transformation process. Notably, the introduction of OTC also inhibits the transformation process, potentially impacting the fate of other potentially harmful elements. The study highlights that the transformation process of calcium phosphorus minerals has a significant impact on the mobility and fate of antibiotics in soil, which aids in better management and mitigation of the environmental risks associated with fertilizer application.

禽畜粪便是中国农业中常见的肥料,由于抗生素和磷含量的升高,会导致环境污染和潜在的健康风险。重要的是,高含量的磷会引发土壤(尤其是石灰性土壤)中磷酸盐矿物的转化。磷酸盐矿物学的这些变化会对土壤中抗生素的迁移和归宿产生重大影响。然而,转化过程对抗生素归宿的影响,尤其是涉及到易变相刷状石(DCPD)的转化过程对抗生素归宿的影响仍不清楚。在本研究中,我们合成了 DCPD 和羟基磷灰石 (HAP),并考察了它们的转化过程,以评估它们的去除能力,并研究土霉素 (OTC) 的迁移和归宿。研究结果表明,HAP 对 OTC 的最大固定能力为 20.10 毫克/克,是 DCPD 的 2.56 倍(7.86 毫克/克)。DCPD 和 HAP 在固定能力上的差异导致 OTC 在转化过程中在固相和液相之间重新分布。值得注意的是,引入 OTC 还会抑制转化过程,从而可能影响其他潜在有害元素的去向。该研究强调,磷钙矿物的转化过程对土壤中抗生素的流动性和归宿有重大影响,这有助于更好地管理和减轻与施肥相关的环境风险。
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引用次数: 0
Escherichia coli transport in two acidic soils: Effect of microbially induced calcite precipitation technology. 大肠杆菌在两种酸性土壤中的迁移:微生物诱导方解石沉淀技术的影响。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-31 DOI: 10.1016/j.jconhyd.2024.104493
Zahra Ramezani, Mohammad Bagher Farhangi, Nasrin Ghorbanzadeh, Mahmoud Shabanpour

Microbially induced calcite precipitation (MICP) while neutralizing soil pH, can lead to pore clogging which in turn may reduce bacteria transport. This study aimed to evaluate the effectiveness of the MICP process for E. coli filtration in two acidic soils. Two soil samples from Amlash (Am) and Lahijan (La) areas with pH values of 5.88 and 3.93, repectively, were collected and poured into plastic columns (14.92 × 2.4 cm). For the MICP reaction, the soil columns were saturated with a solidification solution (1:1 urea: CaCl2, 1.5 M) and Sporosarcina pasteurii (∼108 cell mL-1), and incubated at 30 °C for 72 h. Leaching experiments were conducted on both MICP-treated and control soil columns at steady-state, saturated flow condition. A pulse of influent (0.1 PV) containing Escherichia coli (ciprofloxacin-resistant) (∼108 cell mL-1) and bromide tracer (1000 mg L-1 KBr) was added at the top of the soil columns, followed by sterile water to collect the effluent. Recovered E. coli, and Br-, HCO3-, NH4+, Ca2+ ions were measured in the leachate. The profile of residual E. coli count, urease activity, and bioprecipitated CaCO3 content were also assessed in the soil. Correlated with bioprecipitated CaCO3, the hydraulic conductivity coefficients (Ks) was reduced by 4.4 and 5.8 times after MICP treatment in Am and La soils, respectively, thus bacteria leaching was significantly reduced. A higher filtration coefficient (λf) and recovery rate of E. coli were calculated in the La soil column, likely due to the lower pH and higher anion exchange capacity, which induced greater bacterial mortality and electrostatic attraction, respectively. MICP treatment reduced the average and cumulative count of E. coli by ∼3.4 times compared to the control column. In conclusion, the application of MICP in acidic soil increased soil pH and reduced the risk of E. coli transport to deeper layers by reducing soil hydraulic conductivity.

微生物诱导的方解石沉淀(MICP)在中和土壤pH值的同时,可能导致孔隙堵塞,从而减少细菌的运输。本研究旨在评价MICP工艺对两种酸性土壤中大肠杆菌的过滤效果。从Amlash (Am)和Lahijan (La)地区收集pH值分别为5.88和3.93的2个土壤样品,倒入14.92 × 2.4 cm的塑料柱中。对于MICP反应,土壤柱用固化溶液(1:1尿素:CaCl2, 1.5 M)和巴氏孢子孢杆菌(~ 108细胞mL-1)饱和,并在30°C下孵育72 h。在稳态饱和流动条件下,对MICP处理和对照土壤柱进行浸出实验。在土壤柱顶部加入含有大肠杆菌(耐环丙沙星)(~ 108细胞mL-1)和溴示踪剂(1000 mg L-1 KBr)的进水脉冲(0.1 PV),然后加入无菌水收集流出物。测定了回收的大肠杆菌和渗滤液中的Br-、HCO3-、NH4+、Ca2+离子。此外,还对土壤中残留的大肠杆菌数量、脲酶活性和生物沉淀CaCO3含量进行了评估。与生物沉淀CaCO3相关的是,在Am和La土壤中,MICP处理后的水力传导系数(Ks)分别降低了4.4倍和5.8倍,从而显著降低了细菌淋溶。在La土柱中,大肠杆菌的过滤系数(λf)和回收率较高,可能是由于较低的pH和较高的阴离子交换容量分别导致较高的细菌死亡率和静电吸引力。与对照柱相比,MICP处理使大肠杆菌的平均和累积计数减少了约3.4倍。综上所述,在酸性土壤中施用MICP提高了土壤pH值,并通过降低土壤导电性降低了大肠杆菌向深层迁移的风险。
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引用次数: 0
Dynamic transformation and leaching processes of nitrogen in a karst agricultural soil under simulated rainfall conditions. 模拟降雨条件下喀斯特农业土壤氮素动态转化及淋溶过程
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-31 DOI: 10.1016/j.jconhyd.2024.104494
Ping Zhang, Fu-Jun Yue, Xiao-Dan Wang, Sai-Nan Chen

Frequent exchange of surface water and groundwater in karst agricultural areas results in soil nutrient loss during rainfall and consequent deterioration of the aquatic environment. To understand nitrogen (N) transformation and leaching processes from karst soil during rainfall events, two typical N fertilizers were added to karst soil and consequently investigated the nitrogenous species using soil column experiments system. The contents of various N forms in the soil and leachate were analyzed, and the net nitrification and the N leaching rates were calculated. The results revealed that NH4+ and NO2- accumulation and variation occurred primarily in shallow soils, indicating that shallow soils were the primary sites for ammonification and nitrification processes. The net nitrification rate in the soil was higher with application of urea (12.5 mg N kg-1d-1) than with manure (2.4 mg N kg-1d-1). Peak N content indicated that it took only 7 days for N to migrate from the topsoil to 90 cm depth of soil after applying urea during successive intense rainfall events. NO3- leaching was predominantly composed of N, followed by DON, with leaching ratios of 31.1 % for the urea column and only 1.7 % for the manure column. These results highlight that the rapid nitrification of urea application coupled with intensive rainfall accelerated nitrate leaching into subterraneous streams in karst hydrological system, supporting a significant contribution from agricultural fertilizer loss during rainfall in karst area.

喀斯特农业区地表水与地下水频繁交换,导致降雨期间土壤养分流失,导致水环境恶化。为了解降雨过程中喀斯特土壤氮素的转化和淋溶过程,在喀斯特土壤中添加了两种典型氮肥,并利用土壤柱试验系统对氮素种类进行了研究。分析了土壤和渗滤液中各种形态氮的含量,计算了净硝化作用和氮淋滤速率。结果表明,NH4+和NO2-的积累和变化主要发生在浅层土壤,表明浅层土壤是氨化和硝化过程的主要场所。施用尿素(12.5 mg N kg-1d-1)的土壤净硝化速率高于施用有机肥(2.4 mg N kg-1d-1)。峰值氮含量表明,在连续强降雨条件下,施用尿素后,氮素从表层土壤向90 cm土壤深度的迁移仅需7 d。NO3-淋溶以N为主,其次是DON,尿素柱淋溶率为31.1%,粪肥柱淋溶率仅为1.7%。这些结果表明,尿素的快速硝化作用加上强降雨加速了岩溶水文系统中硝酸盐的地下淋滤,支持了降雨期间农业肥料损失的重要贡献。
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引用次数: 0
Unravelling land-based discharge of microplastics in River Basantar of Jammu & Kashmir, India: Understanding sinking behaviors and risk assessments. 解开印度查谟和克什米尔巴桑塔尔河微塑料的陆基排放:理解下沉行为和风险评估。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-20 DOI: 10.1016/j.jconhyd.2024.104490
Shaveta Padha, Rakesh Kumar, Yogesh Sharma, Anjali Dhar

Microplastics (MPs) are ubiquitous and are increasing globally, but there is limited information available on their presence in freshwater ecosystems. This research work aims to investigate the abundance, sinking behavior, and risk assessment of MPs in the freshwater River Basantar, Jammu & Kashmir, India. Microplastic abundance in sediments was recorded in the range of 1-6 items g-1, with a mean abundance of 3 ± 1.594 item g-1, whereas MPs in surface water ranged from 200 to 850 items L-1 with a mean abundance of 530 ± 218.4 items L-1 among 12 sites for sediments and 10 sites for surface water. Besides, the sinking behavior of MPs was analyzed through portioning coefficients (Kd) at sediments-surface water interface, which ranges from 0.71 to 2.50 L Kg-1 for River Basantar. The most common shapes identified were fragments, fibres, and films, followed by pellets, foams, and lines. ATR-FTIR polymeric characterization reported polyethylene, polypropylene, polystyrene, polyethylene terephthalate, and polyvinyl chloride, and thus, polymeric risk assessment analysis was also evaluated and normally distributed in the River Basantar. Polymer Hazard Index was calculated across all the sites which observed to be polluted under risk categories "III" and "IV" for both the sediments and surface water samples. Pollution Load Index (PLI) calculated across all the sites was >1 depicting all the sites for both sediments and surface water sampling to be polluted. Pollution Risk Index was assessed and majority of surface water and sediment samples were observed to be under "Very high" risk category. The study, using principal component analysis and heatmap analysis, found that MPs are primarily a result of urbanization and anthropogenic actions, like industrial discharges, household wastes, and agricultural runoffs. This study highlights the significance of more investigation and coordinated efforts to solve the worldwide problem of plastic pollution in freshwater environments. Results data provide insight into the current state of MP contamination and will help government authorities implement strict rules and perform management interventions to reduce and monitor pollution levels in River Basantar. Future studies on the partitioning of MPs in sediments and surface water must be focused on aggregation, biofouling, plastic density & size, salinity, and flow behaviors to understand transport and deposition in rivers.

微塑料(MPs)无处不在,并且在全球范围内不断增加,但关于它们在淡水生态系统中的存在的信息有限。本研究工作旨在调查印度查谟和克什米尔淡水巴桑塔尔河中MPs的丰度,下沉行为和风险评估。沉积物中微塑料丰度在1 ~ 6项g-1之间,平均丰度为3±1.594项g-1,而地表水中微塑料丰度在200 ~ 850项L-1之间,12个沉积物点和10个地表水点的平均丰度为530±218.4项L-1。此外,通过沉积物-地表水界面的分配系数(Kd)分析了MPs的沉降行为,在Basantar河,分配系数范围为0.71 ~ 2.50 L Kg-1。最常见的形状是碎片、纤维和薄膜,其次是颗粒、泡沫和线条。ATR-FTIR聚合物表征报告了聚乙烯、聚丙烯、聚苯乙烯、聚对苯二甲酸乙二醇酯和聚氯乙烯,因此,聚合物风险评估分析也进行了评估,并在Basantar河中呈正态分布。计算了沉积物和地表水样品在“III”和“IV”风险类别下被污染的所有地点的聚合物危害指数。所有站点计算的污染负荷指数(PLI)为bbb1,描述了所有沉积物和地表水采样受到污染的站点。污染风险指数评估显示,大部分地表水和沉积物样本处于“非常高”的风险类别。该研究利用主成分分析和热图分析发现,MPs主要是城市化和人为活动的结果,如工业排放、家庭废物和农业径流。这项研究强调了更多调查和协调努力的重要性,以解决淡水环境中的塑料污染问题。结果数据提供了对MP污染现状的深入了解,并将帮助政府当局实施严格的规则和实施管理干预措施,以减少和监测Basantar河的污染水平。未来关于MPs在沉积物和地表水中分配的研究必须集中在聚集、生物污垢、塑性密度和尺寸、盐度和流动行为上,以了解河流中的迁移和沉积。
{"title":"Unravelling land-based discharge of microplastics in River Basantar of Jammu & Kashmir, India: Understanding sinking behaviors and risk assessments.","authors":"Shaveta Padha, Rakesh Kumar, Yogesh Sharma, Anjali Dhar","doi":"10.1016/j.jconhyd.2024.104490","DOIUrl":"https://doi.org/10.1016/j.jconhyd.2024.104490","url":null,"abstract":"<p><p>Microplastics (MPs) are ubiquitous and are increasing globally, but there is limited information available on their presence in freshwater ecosystems. This research work aims to investigate the abundance, sinking behavior, and risk assessment of MPs in the freshwater River Basantar, Jammu & Kashmir, India. Microplastic abundance in sediments was recorded in the range of 1-6 items g<sup>-1</sup>, with a mean abundance of 3 ± 1.594 item g<sup>-1</sup>, whereas MPs in surface water ranged from 200 to 850 items L<sup>-1</sup> with a mean abundance of 530 ± 218.4 items L<sup>-1</sup> among 12 sites for sediments and 10 sites for surface water. Besides, the sinking behavior of MPs was analyzed through portioning coefficients (K<sub>d</sub>) at sediments-surface water interface, which ranges from 0.71 to 2.50 L Kg<sup>-1</sup> for River Basantar. The most common shapes identified were fragments, fibres, and films, followed by pellets, foams, and lines. ATR-FTIR polymeric characterization reported polyethylene, polypropylene, polystyrene, polyethylene terephthalate, and polyvinyl chloride, and thus, polymeric risk assessment analysis was also evaluated and normally distributed in the River Basantar. Polymer Hazard Index was calculated across all the sites which observed to be polluted under risk categories \"III\" and \"IV\" for both the sediments and surface water samples. Pollution Load Index (PLI) calculated across all the sites was >1 depicting all the sites for both sediments and surface water sampling to be polluted. Pollution Risk Index was assessed and majority of surface water and sediment samples were observed to be under \"Very high\" risk category. The study, using principal component analysis and heatmap analysis, found that MPs are primarily a result of urbanization and anthropogenic actions, like industrial discharges, household wastes, and agricultural runoffs. This study highlights the significance of more investigation and coordinated efforts to solve the worldwide problem of plastic pollution in freshwater environments. Results data provide insight into the current state of MP contamination and will help government authorities implement strict rules and perform management interventions to reduce and monitor pollution levels in River Basantar. Future studies on the partitioning of MPs in sediments and surface water must be focused on aggregation, biofouling, plastic density & size, salinity, and flow behaviors to understand transport and deposition in rivers.</p>","PeriodicalId":15530,"journal":{"name":"Journal of contaminant hydrology","volume":"269 ","pages":"104490"},"PeriodicalIF":3.5,"publicationDate":"2024-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142894875","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Microplastics as adsorbent for Pb2+ and Cd2+: A comparative study of polypropylene, polyvinyl chloride, high-density polyethylene, and low-density polyethylene. 微塑料作为 Pb2+ 和 Cd2+ 的吸附剂:聚丙烯、聚氯乙烯、高密度聚乙烯和低密度聚乙烯的比较研究。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-19 DOI: 10.1016/j.jconhyd.2024.104491
Tae-Jung Ha, Woo-Ri Lim, Junyong Heo, Minhee Lee, Minjune Yang

Microplastics (MPs) in aquatic environments adsorb heavy metals, thereby posing potential environmental risks. However, further research is needed to elucidate the adsorption behavior of different types of MPs for various heavy metals. The aim of this study was to characterize four types of MPs: polypropylene (PP), polyvinyl chloride (PVC), high-density polyethylene (HDPE), and low-density polyethylene (LDPE). Moreover, their Pb2+ and Cd2+ adsorption properties were determined to investigate the differences in their capacity to function as heavy metal adsorbents. MPs were characterized via scanning electron microscopy (SEM) using energy dispersive X-ray spectrometer (EDS), Brunauer-Emmett-Teller (BET) analysis, and Fourier transform infrared spectroscopy (FTIR). Adsorption experiment data were analyzed using the Langmuir and Freundlich isotherm models to evaluate the adsorption capacity of the MPs. Based on the results of the adsorption isotherm models and 2D-COS FTIR, the presence of oxygen-containing functional groups, including hydroxyl, carbonyl, and carboxyl groups influences the adsorption process of Pb2+ and Cd2+ onto PP and PVC, with the maximum adsorption capacities (Qm) being 0.759 mg/g and 0.495 mg/g, respectively. Combination of the adsorption isotherm data and characteristics of MPs revealed that the following order of adsorption efficiencies of MPs for each heavy metal: PP > LDPE > PVC > HDPE for Pb2+ and PP > PVC > LDPE > HDPE for Cd2+. The results of this study suggest that MPs, particularly PP and PVC, may serve as vectors for heavy metal transport in aquatic environments, highlighting the need for further research to assess their environmental impact.

水生环境中的微塑料(MPs)吸附重金属,从而构成潜在的环境风险。然而,不同类型MPs对各种重金属的吸附行为还有待进一步研究。本研究的目的是表征四种类型的MPs:聚丙烯(PP),聚氯乙烯(PVC),高密度聚乙烯(HDPE)和低密度聚乙烯(LDPE)。此外,还测定了它们对Pb2+和Cd2+的吸附性能,以研究它们作为重金属吸附剂的能力差异。通过扫描电子显微镜(SEM)、x射线能谱仪(EDS)、布鲁诺尔-埃米特-泰勒(BET)分析和傅里叶变换红外光谱(FTIR)对MPs进行了表征。采用Langmuir和Freundlich等温线模型对吸附实验数据进行分析,评价MPs的吸附能力。吸附等温线模型和2D-COS FTIR结果表明,含氧官能团(羟基、羰基和羧基)的存在影响了Pb2+和Cd2+在PP和PVC上的吸附过程,最大吸附量(Qm)分别为0.759 mg/g和0.495 mg/g。结合吸附等温线数据和MPs的特性可知,MPs对各重金属的吸附效率顺序为:PP > LDPE > PVC > HDPE对Pb2+的吸附效率和PP > PVC > LDPE > HDPE对Cd2+的吸附效率。本研究结果表明,MPs,特别是PP和PVC,可能是水生环境中重金属运输的载体,强调需要进一步研究以评估其环境影响。
{"title":"Microplastics as adsorbent for Pb<sup>2+</sup> and Cd<sup>2+</sup>: A comparative study of polypropylene, polyvinyl chloride, high-density polyethylene, and low-density polyethylene.","authors":"Tae-Jung Ha, Woo-Ri Lim, Junyong Heo, Minhee Lee, Minjune Yang","doi":"10.1016/j.jconhyd.2024.104491","DOIUrl":"https://doi.org/10.1016/j.jconhyd.2024.104491","url":null,"abstract":"<p><p>Microplastics (MPs) in aquatic environments adsorb heavy metals, thereby posing potential environmental risks. However, further research is needed to elucidate the adsorption behavior of different types of MPs for various heavy metals. The aim of this study was to characterize four types of MPs: polypropylene (PP), polyvinyl chloride (PVC), high-density polyethylene (HDPE), and low-density polyethylene (LDPE). Moreover, their Pb<sup>2+</sup> and Cd<sup>2+</sup> adsorption properties were determined to investigate the differences in their capacity to function as heavy metal adsorbents. MPs were characterized via scanning electron microscopy (SEM) using energy dispersive X-ray spectrometer (EDS), Brunauer-Emmett-Teller (BET) analysis, and Fourier transform infrared spectroscopy (FTIR). Adsorption experiment data were analyzed using the Langmuir and Freundlich isotherm models to evaluate the adsorption capacity of the MPs. Based on the results of the adsorption isotherm models and 2D-COS FTIR, the presence of oxygen-containing functional groups, including hydroxyl, carbonyl, and carboxyl groups influences the adsorption process of Pb<sup>2+</sup> and Cd<sup>2+</sup> onto PP and PVC, with the maximum adsorption capacities (Q<sub>m</sub>) being 0.759 mg/g and 0.495 mg/g, respectively. Combination of the adsorption isotherm data and characteristics of MPs revealed that the following order of adsorption efficiencies of MPs for each heavy metal: PP > LDPE > PVC > HDPE for Pb<sup>2+</sup> and PP > PVC > LDPE > HDPE for Cd<sup>2+</sup>. The results of this study suggest that MPs, particularly PP and PVC, may serve as vectors for heavy metal transport in aquatic environments, highlighting the need for further research to assess their environmental impact.</p>","PeriodicalId":15530,"journal":{"name":"Journal of contaminant hydrology","volume":"269 ","pages":"104491"},"PeriodicalIF":3.5,"publicationDate":"2024-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142909637","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Sorption behavior of oxytetracycline on microplastics and the influence of environmental factors in groundwater: Experimental investigation and molecular dynamics simulation. 地下水中土霉素对微塑料的吸附行为及环境因素的影响:实验研究和分子动力学模拟。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-15 DOI: 10.1016/j.jconhyd.2024.104489
Fengjia Liu, Dan Zhang, Yufei Ma, Mengyao Jing, Guijuan Li, Shengke Yang

Microplastics (MPs) and antibiotics can enter groundwater through the interaction of soil and surface water, and MPs as carriers of antibiotics can promote the migration of antibiotics and thus generate more serious ecological risks. Therefore, this paper used experimental and molecular dynamics (MD) simulation methods to investigate the sorption between four common types of MPs in groundwater, namely polyamide (PA), polystyrene (PS), polyvinyl chloride (PVC), and polyethylene (PE), and oxytetracycline (OTC) with high detection rate in groundwater. Additionally, the impact of environmental factors on sorption was examined. The sorption kinetics of the four types of MPs followed the pseudo-second-order kinetics model, and the sorption isotherms of OTC on PA, PE, and PVC were highly linear, suggesting that the electrostatic interaction was the main sorption mechanism. Both experimental and simulation results indicated that PA had the highest affinity for OTC, due to the effect of the formation of hydrogen bonding between the amide groups of PA and OTC. The primary way pH affected sorption was by altering the form in which OTC exists. The effects of the representative substances of protein-like component (bovine serum albumin) and humus-like component (humic acid) in dissolved organic matter varied but were generally inhibitory. Ions could influence the sorption process by competitive sorption or forming complexes with the OTC.

微塑料与抗生素可通过土壤与地表水的相互作用进入地下水,微塑料作为抗生素的载体可促进抗生素的迁移,从而产生更严重的生态风险。因此,本文采用实验和分子动力学(MD)模拟的方法,研究了地下水中检出率较高的聚酰胺(PA)、聚苯乙烯(PS)、聚氯乙烯(PVC)、聚乙烯(PE)四种常见MPs与土霉素(OTC)之间的吸附关系。此外,还考察了环境因素对吸附的影响。四种MPs的吸附动力学符合拟二级动力学模型,OTC对PA、PE和PVC的吸附等温线呈高度线性,表明静电相互作用是主要的吸附机理。实验和模拟结果均表明,PA对OTC的亲和力最高,这是由于PA与OTC酰胺基之间形成氢键的影响。pH影响吸附的主要方式是通过改变OTC存在的形式。溶解有机物中蛋白质样成分(牛血清白蛋白)和腐殖质样成分(腐殖酸)的代表性物质的作用各不相同,但普遍具有抑制作用。离子可以通过竞争性吸附或与OTC形成配合物来影响吸附过程。
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引用次数: 0
Optimizing coastal groundwater quality predictions: A novel data mining framework with cross-validation, bootstrapping, and entropy analysis. 优化沿海地下水质量预测:一种具有交叉验证、自举和熵分析的新型数据挖掘框架。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-10 DOI: 10.1016/j.jconhyd.2024.104480
Abu Reza Md Towfiqul Islam, Md Abdullah-Al Mamun, Mehedi Hasan, Mst Nazneen Aktar, Md Nashir Uddin, Md Abu Bakar Siddique, Mohaiminul Haider Chowdhury, Md Saiful Islam, A B M Mainul Bari, Abubakr M Idris, Venkatramanan Senapathi

Investigating the potential of novel data mining algorithms (DMAs) for modeling groundwater quality in coastal areas is an important requirement for groundwater resource management, especially in the coastal region of Bangladesh where groundwater is highly contaminated. In this work, the applicability of DMA, including Gaussian Process Regression (GPR), Bayesian Ridge Regression (BRR) and Artificial Neural Network (ANN), for predicting groundwater quality in coastal areas was investigated. The optuna-based optimized hyperparameter is proposed to improve the accuracy of the models, including optuna-GPR and optuna-BRR as benchmark models. Combined cross-validation (CV) and bootstrapping (B) methods were used to build six predictive models. The entropy-based coastal groundwater quality index (ECWQI) was converted into a normalized index (ECWQIn), which was divided into five classes from very poor to excellent. The self-organizing map (SOM), spatial autocorrelation and fuzzy logic model were used to identify spatial groundwater quality patterns based on 12 physicochemical variables collected from 67 groundwater wells. The SOM analysis identified four distinct spatial patterns, including EC-TDS-Cl-, MgpH, Ca2+K+NO₃-, and HCO₃-SO₄2-Na+F-. The results showed that both the ANN (CV) and ANN (B) models performed better than other optuna-based models during the test phase (RMSE = 0.041, MAE = 0.026, R2 = 0.971, RAE = 0.15 = 21 and CC = 0.986) and (RMSE = 0.041, MAE = 0.025, R2 = 0.969, RAE = 0.119 and CC = 0.975), respectively. SO42-, Cl- and F- played an important role in the prediction accuracy. F- and SO42- showed higher spatial autocorrelation, which affected groundwater quality degradation. In addition, the ANN (CV) and ANN (B) models showed a Gaussian distribution of model errors (small standard error, <1 %), indicating the stability of the model. These results indicate the efficiency of the ANN model in predicting groundwater quality in coastal areas, which would help regional water managers in real-time monitoring and management of sustainable groundwater resources.

研究新型数据挖掘算法(DMAs)在沿海地区模拟地下水质量的潜力是地下水资源管理的重要要求,特别是在地下水严重污染的孟加拉国沿海地区。本文研究了高斯过程回归(GPR)、贝叶斯岭回归(BRR)和人工神经网络(ANN)三种方法在沿海地区地下水水质预测中的适用性。为了提高模型的精度,提出了基于optuna的优化超参数,包括optuna-GPR和optuna-BRR作为基准模型。采用交叉验证(CV)和bootstrapping (B)相结合的方法建立了6个预测模型。将基于熵的沿海地下水水质指数(ECWQI)转化为归一化指数(ECWQIn),将其分为极差到优5个等级。利用自组织图(SOM)、空间自相关和模糊逻辑模型,基于67口地下水水井采集的12个理化变量,对地下水水质空间格局进行了识别。SOM分析确定了四种不同的空间模式,包括EC-TDS-Cl-、MgpH、Ca2+K+NO₃-和HCO₃- so₄2-Na+F-。结果表明,ANN (CV)和ANN (B)模型在测试阶段的表现均优于其他基于optuna的模型(RMSE = 0.041, MAE = 0.026, R2 = 0.971, RAE = 0.15 = 21, CC = 0.986)和(RMSE = 0.041, MAE = 0.025, R2 = 0.969, RAE = 0.119, CC = 0.975)。SO42-、Cl-和F-对预测精度有重要影响。F-和SO42-表现出较高的空间自相关性,影响地下水水质退化。此外,ANN (CV)和ANN (B)模型的模型误差呈高斯分布(标准误差较小,
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引用次数: 0
Comparison of adsorption capacity of 4-Nonylphenol on conventional and biodegradable microplastics aged under natural water. 传统微塑料和可生物降解微塑料在天然水中老化后对 4-壬基苯酚吸附能力的比较。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-09 DOI: 10.1016/j.jconhyd.2024.104486
Fallon Nacaratte, Anahi Valdivia, Sylvia V Copaja

This study investigated the adsorption of 4-Nonylphenol (4-NP) on aged microplastics (MPs) composed of polyethylene terephthalate (PET) and poly(butylene-adipate-co-terephthalate)/polylactic acid (PBAT/PLA). Morphological analysis revealed wear, wrinkles, and increased surface roughness in both aged MPs, with X-ray diffraction showing slight increases in crystallinity. Infrared spectroscopy showed an increase in the carbonyl index from 2.78 to 4.37 for PBAT/PLA and 0.51 to 2.32 for PET after aging. The natural water from the San Pedro River in Chile Atacama region (5.91 mS·cm-1 conductivity, 3.25 PSU salinity, 2955 mg·L-1 total dissolved solids, 435 mg·L-1 CaCO3 hardness) was used as the environmental medium and compared with a 0.01 mol·L-1 CaCl2 as a model solution. Kinetic modeling showed a decrease in 4-NP percentage removal from 90.0 % (2277 μg∙g-1 adsorption capacity) to 50.2 % (1268 μg∙g-1) for PET and from 86.8 % (2087 μg∙g-1) to 70.3 % (1955 μg∙g-1) for PBAT/PLA when comparing the model solution to natural water, with 30 and 84 h equilibrium times, respectively. Isotherm data showed that 4-NP/PET fits BET n-layer and Temkin models, while 4-NP-PBAT/PLA fits the Toth and Hill models The ionic composition of natural water induces cation attraction to polarized MPs surfaces, intensifying competition for adsorption sites. This involves ion and molecular cooperation, 4-NP reorientation, external diffusion effects, and surface oxidation variations, which are attributed to explaining the bilayer (PET) and monolayer (PBAT/PLA) formation. This work contributes to understanding MP pollution and the importance of considering the bioplastics life cycle, since their waste presents significant potential to resist external factors for transporting contaminants.

本研究调查了 4-壬基酚(4-NP)在由聚对苯二甲酸乙二醇酯(PET)和聚对苯二甲酸丁二醇酯/聚乳酸(PBAT/PLA)组成的老化微塑料(MPs)上的吸附情况。形态分析表明,两种老化的 MP 都存在磨损、皱纹和表面粗糙度增加的现象,X 射线衍射显示结晶度略有增加。红外光谱显示,老化后 PBAT/PLA 的羰基指数从 2.78 增加到 4.37,PET 的羰基指数从 0.51 增加到 2.32。以智利阿塔卡马地区圣佩德罗河的天然水(电导率 5.91 mS-cm-1、盐度 3.25 PSU、总溶解固体 2955 mg-L-1、CaCO3 硬度 435 mg-L-1)为环境介质,并以 0.01 mol-L-1 CaCl2 作为模型溶液进行比较。动力学模型显示,在将模型溶液与天然水进行比较时,PET 对 4-NP 的去除率从 90.0 %(吸附容量为 2277 μg∙g-1)降至 50.2 %(1268 μg∙g-1),PBAT/PLA 对 4-NP 的去除率从 86.8 %(2087 μg∙g-1)降至 70.3 %(1955 μg∙g-1),平衡时间分别为 30 小时和 84 小时。等温线数据显示,4-NP/PET 符合 BET n 层和 Temkin 模型,而 4-NP-PBAT/PLA 则符合 Toth 和 Hill 模型。这涉及到离子和分子合作、4-NP 重新定向、外部扩散效应和表面氧化变化,这些都是双层(PET)和单层(PBAT/PLA)形成的原因。这项研究有助于了解 MP 污染以及考虑生物塑料生命周期的重要性,因为生物塑料的废弃物具有抵御外部因素运输污染物的巨大潜力。
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引用次数: 0
First evidence of microplastics in the Quilca-Vítor-Chili river basin, Arequipa region, Peru. 秘鲁阿雷基帕地区Quilca-Vítor-Chili河流域微塑料的第一个证据。
IF 3.5 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2024-12-09 DOI: 10.1016/j.jconhyd.2024.104484
Adriana E Larrea Valdivia, Juan Reyes Larico, Carlos Valenzuela Huillca, Andrés H Arias

The Chili, Vitor and Quilca rivers and their tributaries in Peru serve as a vital water resource for both irrigation and domestic use in the surrounding communities and agricultural areas. The purpose of this study was to establish, for the first time, the presence, abundance, distribution and chemical identity of polymer microparticles in aqueous samples from these river basins. The results showed that, on average, filaments were the most dominant (71.4 %), followed by fragments (17.2 %) and film (6.74 %). Identification of the polymer types revealed that the most abundant type of MPs is polyethylene (40.8 %), followed by polypropylene (23.8 %), synthetic fibres (15.8 %), and other synthetic polymers. All samples showed the occurrence of microplastics, with a mean concentration of 35.34 MPs/m3, a maximum value of 172.70 MPs/m3 and a minimum value of 3.59 MPs/m3. The results reported in this study establish a baseline for the study area for the first time; in addition, the areas were established with a Pollution Indicator, and the Pollutant Load Index (PLI) was calculated, which reinforced the proposed identification, alerting the need to control clandestine urban and rural landfills, as well as the indiscriminate use of PE big bags in the agricultural catchment.

秘鲁境内的奇利河、维托河和奎尔卡河及其支流为周围社区和农业区的灌溉和家庭用水提供了重要的水资源。本研究的目的是首次确定这些流域水样中聚合物微粒的存在、丰度、分布和化学特性。结果表明,平均以细丝(71.4%)居多,片段(17.2%)次之,薄膜(6.74%)居多。聚合物类型的鉴定表明,MPs最丰富的类型是聚乙烯(40.8%),其次是聚丙烯(23.8%),合成纤维(15.8%)和其他合成聚合物。所有样品均出现微塑料,平均浓度为35.34 MPs/m3,最大值为172.70 MPs/m3,最小值为3.59 MPs/m3。本研究报告的结果首次为研究区域建立了基线;此外,还建立了污染指标,并计算了污染物负荷指数(PLI),这加强了建议的识别,提醒人们需要控制秘密的城市和农村垃圾填埋场,以及在农业集水区任意使用PE大袋。
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引用次数: 0
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Journal of contaminant hydrology
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