Pub Date : 2025-04-15DOI: 10.1016/j.chemosphere.2025.144414
Nathaniel P. Sheehan , Charles A. Ponge , Abe Pankratz , Justin M. Hutchison , Brian B. Laird , Nuong P. Nguyen , Mark B. Shiflett , Deepak Timalsina , Michael Zhuo Wang , Edward F. Peltier
Per- and polyfluoroalkyl substances (PFAS) are emerging anthropogenic pollutants of concern and are associated with potential human and environmental health concerns. PFAS removal can be achieved using adsorbents such as activated carbon and ion exchange resins. Recently, zeolites have been identified as another potential adsorption technology with increased selectivity and product regenerability that is not currently achieved with other adsorbents. Zeolite CP814E∗ (BEA) was tested in batch reactions for PFAS removal in different water matrix characteristics, including pH, select cations, humic acids (HA), fulvic acids (FA), and natural organic matter (NOM). In synthetic EPA waters, BEA performance increased compared to ultrapure water testing. BEA performance also significantly increased in the presence of Na+, Ca2+, and Mg2+ ions compared to ultrapure waters. PFOA and PFOS sorption did not vary significantly in the 6–9 pH range. HA, FA, and NOM did not significantly impact the sorption of PFOA and PFOS on the BEA at 1 g/L zeolite loading. One organic interferent, Suwannee River humic acids, did reduce PFOA sorption when the ratio of adsorbent to liquid was reduced to 0.1 mg/L. BEA retained sorption capacity over seven thermal regeneration cycles, and a BEA test with a real water demonstrated PFOA, PFOS and PFHxS adsorption at the parts per trillion level.
{"title":"Interference of PFAS sorption on zeolites from natural water characteristics","authors":"Nathaniel P. Sheehan , Charles A. Ponge , Abe Pankratz , Justin M. Hutchison , Brian B. Laird , Nuong P. Nguyen , Mark B. Shiflett , Deepak Timalsina , Michael Zhuo Wang , Edward F. Peltier","doi":"10.1016/j.chemosphere.2025.144414","DOIUrl":"10.1016/j.chemosphere.2025.144414","url":null,"abstract":"<div><div>Per- and polyfluoroalkyl substances (PFAS) are emerging anthropogenic pollutants of concern and are associated with potential human and environmental health concerns. PFAS removal can be achieved using adsorbents such as activated carbon and ion exchange resins. Recently, zeolites have been identified as another potential adsorption technology with increased selectivity and product regenerability that is not currently achieved with other adsorbents. Zeolite CP814E∗ (BEA) was tested in batch reactions for PFAS removal in different water matrix characteristics, including pH, select cations, humic acids (HA), fulvic acids (FA), and natural organic matter (NOM). In synthetic EPA waters, BEA performance increased compared to ultrapure water testing. BEA performance also significantly increased in the presence of Na<sup>+</sup>, Ca<sup>2+</sup>, and Mg<sup>2+</sup> ions compared to ultrapure waters. PFOA and PFOS sorption did not vary significantly in the 6–9 pH range. HA, FA, and NOM did not significantly impact the sorption of PFOA and PFOS on the BEA at 1 g/L zeolite loading. One organic interferent, Suwannee River humic acids, did reduce PFOA sorption when the ratio of adsorbent to liquid was reduced to 0.1 mg/L<strong>.</strong> BEA retained sorption capacity over seven thermal regeneration cycles, and a BEA test with a real water demonstrated PFOA, PFOS and PFHxS adsorption at the parts per trillion level.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":"Article 144414"},"PeriodicalIF":8.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143835226","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Pub Date : 2025-04-15DOI: 10.1016/j.chemosphere.2025.144376
Ana S.P. Alves , Carmen S.D. Rodrigues , Luís M. Madeira
This study aimed to assess the degradation and mineralization of the toluene present in a gas stream by application of a liquid phase persulfate-based advanced oxidation process in a bubble column reactor. Up to the authors' knowledge, this is the first time where the oxidizing agent has been activated through the presence of transition metal ions and pH change, to treat a toluene-containing gas stream. A detailed parametric study was performed, with the objective of analyzing the effect of some of the main operating variables in the process performance, varying parameters such as catalyst concentration (from 0 to 0.27 g/L of Fe2+), oxidizing agent dosage (0.80 - 2.40 g/L of S2O82−) and initial pH (from 2.0 to 6.8). The best treatment performance was achieved for the following operating conditions: [Fe2+] = 0.20 g/L, [S2O82−] = 1.70 g/L and initial pH = 3.0, with the process being extended for 6 h before saturation of the liquid with toluene. Under these conditions, the toluene transferred from the gaseous effluent to the liquid phase, wherein it was then degraded by the radicals, reached a value of 7.8 x 10−2 mol/L, showing an improvement of 13 times when compared with toluene solubility in water; still, it was found that under the optimum acidic conditions, sulfate radicals have a higher contribution than hydroxyl radicals for the oxidative process. Finally, it was evidenced that the amount of toluene transferred almost duplicated when compared to other studies reported in the literature that applied Fenton's reaction to degrade toluene.
{"title":"Liquid phase persulfate-based oxidation for the treatment of a toluene waste gas stream – Parametric study","authors":"Ana S.P. Alves , Carmen S.D. Rodrigues , Luís M. Madeira","doi":"10.1016/j.chemosphere.2025.144376","DOIUrl":"10.1016/j.chemosphere.2025.144376","url":null,"abstract":"<div><div>This study aimed to assess the degradation and mineralization of the toluene present in a gas stream by application of a liquid phase persulfate-based advanced oxidation process in a bubble column reactor. Up to the authors' knowledge, this is the first time where the oxidizing agent has been activated through the presence of transition metal ions and pH change, to treat a toluene-containing gas stream. A detailed parametric study was performed, with the objective of analyzing the effect of some of the main operating variables in the process performance, varying parameters such as catalyst concentration (from 0 to 0.27 g/L of Fe<sup>2+</sup>), oxidizing agent dosage (0.80 - 2.40 g/L of S<sub>2</sub>O<sub>8</sub><sup>2−</sup>) and initial pH (from 2.0 to 6.8). The best treatment performance was achieved for the following operating conditions: [Fe<sup>2+</sup>] = 0.20 g/L, [S<sub>2</sub>O<sub>8</sub><sup>2−</sup>] = 1.70 g/L and initial pH = 3.0, with the process being extended for 6 h before saturation of the liquid with toluene. Under these conditions, the toluene transferred from the gaseous effluent to the liquid phase, wherein it was then degraded by the radicals, reached a value of 7.8 x 10<sup>−2</sup> mol/L, showing an improvement of 13 times when compared with toluene solubility in water; still, it was found that under the optimum acidic conditions, sulfate radicals have a higher contribution than hydroxyl radicals for the oxidative process. Finally, it was evidenced that the amount of toluene transferred almost duplicated when compared to other studies reported in the literature that applied Fenton's reaction to degrade toluene.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":"Article 144376"},"PeriodicalIF":8.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830266","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Pub Date : 2025-04-15DOI: 10.1016/j.chemosphere.2025.144408
Lore Jane L. Espartero , Zubaria Ishaq , Samuel Bradley , Mark Moore , Miko Yamada , Xianyu Wang , Tarl Prow , Albert Juhasz , Phong K. Thai
Per- and polyfluoroalkyl substances (PFAS) are ubiquitous, persistent environmental contaminants, posing significant health risks to animals and humans. While dermal exposure to PFAS through daily contact with consumer products such as school uniforms and personal care items is common, the mechanisms and extent of skin uptake remain poorly understood. This study investigated the dermal penetration of 30 PFAS, both as mixtures and individual compounds, using in vitro human skin models in a Franz Diffusion Cell system. Results showed that in a mixture, short-chain PFAS, including FBSA, PFBA, PFPrS, and PFPeA, demonstrated permeation rates of 4.8 ± 2.5 %, 3.7 ± 0.3 %, 2.0 ± 0.1 %, and 1.1 ± 0.1 %, respectively, over 24 h. In contrast, none of the long-chain PFAS penetrated the skin in the same period. When tested individually in water, FBSA exhibited the highest permeation, achieving 7.0 ± 0.9 % (p < 0.05), underscoring its ability to cross the stratum corneum under simulated environmental conditions. These findings highlight that while permeation of long-chain PFAS could be slowed down by the skin barrier, certain short-chain PFAS, such as FBSA, can penetrate human skin in vitro. This study provides crucial preliminary data on PFAS dermal absorption, emphasizing the need for standardized experimental conditions that account for the chemical properties of PFAS and the physiological properties of human skin. Our findings suggest that further research is needed to elucidate the mechanisms of PFAS dermal absorption and better assess the risk of dermal exposure to PFAS.
{"title":"Dermal permeation of perfluoroalkyl substances in human skin – An in-vitro study","authors":"Lore Jane L. Espartero , Zubaria Ishaq , Samuel Bradley , Mark Moore , Miko Yamada , Xianyu Wang , Tarl Prow , Albert Juhasz , Phong K. Thai","doi":"10.1016/j.chemosphere.2025.144408","DOIUrl":"10.1016/j.chemosphere.2025.144408","url":null,"abstract":"<div><div>Per- and polyfluoroalkyl substances (PFAS) are ubiquitous, persistent environmental contaminants, posing significant health risks to animals and humans. While dermal exposure to PFAS through daily contact with consumer products such as school uniforms and personal care items is common, the mechanisms and extent of skin uptake remain poorly understood. This study investigated the dermal penetration of 30 PFAS, both as mixtures and individual compounds, using <em>in vitro</em> human skin models in a Franz Diffusion Cell system. Results showed that in a mixture, short-chain PFAS, including FBSA, PFBA, PFPrS, and PFPeA, demonstrated permeation rates of 4.8 ± 2.5 %, 3.7 ± 0.3 %, 2.0 ± 0.1 %, and 1.1 ± 0.1 %, respectively, over 24 h. In contrast, none of the long-chain PFAS penetrated the skin in the same period. When tested individually in water, FBSA exhibited the highest permeation, achieving 7.0 ± 0.9 % (p < 0.05), underscoring its ability to cross the stratum corneum under simulated environmental conditions. These findings highlight that while permeation of long-chain PFAS could be slowed down by the skin barrier, certain short-chain PFAS, such as FBSA, can penetrate human skin <em>in vitro</em>. This study provides crucial preliminary data on PFAS dermal absorption, emphasizing the need for standardized experimental conditions that account for the chemical properties of PFAS and the physiological properties of human skin. Our findings suggest that further research is needed to elucidate the mechanisms of PFAS dermal absorption and better assess the risk of dermal exposure to PFAS.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":"Article 144408"},"PeriodicalIF":8.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830265","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Pub Date : 2025-04-15DOI: 10.1016/j.chemosphere.2025.144412
Zhiying Xu , Xingyu Zhao , Xinying Peng , Kai Wang , Kedong Wang , Nan Zhao , Jiaming Li , Qingmao Zhang , Xueqing Yan , Kun Zhu
Efficient recycling of plastics is critical for environmental sustainability. In this work, an efficient and anti-interference method for plastic classification based on one-shot learning and laser-induced breakdown spectroscopy (LIBS) was proposed. A residual neural network model with full-spectrum training (ResNet-FST) was developed based on convolutional neural networks, achieving an accuracy of 99.65 % in one-shot learning classification. A multi-parameter peak search algorithm was employed to extract key spectral features, and a linear residual classification model with peak auto-search (LRC-PAS) was developed to further enhance efficiency. The number of residual blocks and neurons was optimized to 2 and 80, respectively. Compared with ResNet-FST, LRC-PAS significantly improved classification efficiency. The mechanism underlying the spectral interference caused by plastic additives in LRC-PAS was elucidated. The anti-interference of additives in LRC-PAS was achieved with high accuracy. The results demonstrated that the proposed method achieves highly efficient and anti-interference classification of plastics, demonstrating great potential for real-time classification in the recycling industry.
{"title":"Efficient and anti-interference plastic classification method suitable for one-shot learning based on laser induced breakdown spectroscopy","authors":"Zhiying Xu , Xingyu Zhao , Xinying Peng , Kai Wang , Kedong Wang , Nan Zhao , Jiaming Li , Qingmao Zhang , Xueqing Yan , Kun Zhu","doi":"10.1016/j.chemosphere.2025.144412","DOIUrl":"10.1016/j.chemosphere.2025.144412","url":null,"abstract":"<div><div>Efficient recycling of plastics is critical for environmental sustainability. In this work, an efficient and anti-interference method for plastic classification based on one-shot learning and laser-induced breakdown spectroscopy (LIBS) was proposed. A residual neural network model with full-spectrum training (ResNet-FST) was developed based on convolutional neural networks, achieving an accuracy of 99.65 % in one-shot learning classification. A multi-parameter peak search algorithm was employed to extract key spectral features, and a linear residual classification model with peak auto-search (LRC-PAS) was developed to further enhance efficiency. The number of residual blocks and neurons was optimized to 2 and 80, respectively. Compared with ResNet-FST, LRC-PAS significantly improved classification efficiency. The mechanism underlying the spectral interference caused by plastic additives in LRC-PAS was elucidated. The anti-interference of additives in LRC-PAS was achieved with high accuracy. The results demonstrated that the proposed method achieves highly efficient and anti-interference classification of plastics, demonstrating great potential for real-time classification in the recycling industry.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":"Article 144412"},"PeriodicalIF":8.1,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143830267","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Pub Date : 2025-04-14DOI: 10.1016/j.chemosphere.2025.144374
Pourya Shahpoury , Jasmin Schuster , Tom Harner
Air pollution is a major environmental health risk and it has been associated with various diseases and mortality worldwide. The inhalation of fine particulate matter (PM) is an important cause of health effects from air pollution with one of underlaying mechanisms involving the induction of oxidative stress in the body. Oil sands mining is a major economic sector and a notable source of air pollution in northern Alberta, Canada. Despite this, studies investigating the potential health impacts associated with exposure to air pollutants in the region are rare. For the first time in this work, using an acellular •OH assay, we studied the oxidative potential (OP) of fine (<2.5 μm diameter) and coarse (2.5–10 μm diameter) PM from four community sites in the vicinity of oil sands production facilities. OPOH was found to be dominated by fine PM, which on average accounted for 70 % reactivity of the studied PM size range. The highest OPOH was found at the most populated sites located south of the open pit mines and with mixed emission sources, suggesting a cumulative effect of oil sands and non-oil sands sources. Nevertheless, OPOH was relatively small compared to values reported for urban sites influenced by traffic and industrial emissions in Canada. OPOH variation could not be linked with a statistical significance to changes in the concentrations of PM, trace metals, and secondary inorganic salts but, for a small set of samples, OPOH was associated with organic carbon and potassium, which suggests the influence of reactive organic species from biomass combustion. A larger sample size will be needed in order to examine more closely the links between various OP metrics and the aerosol composition and sources in the region. This work provides a proof of concept to support future studies aimed at assessing potential health impacts associated with exposure to air pollutants in the oil sands region.
{"title":"Oxidative potential of ambient particulate matter from community sites in Alberta's oil sands region","authors":"Pourya Shahpoury , Jasmin Schuster , Tom Harner","doi":"10.1016/j.chemosphere.2025.144374","DOIUrl":"10.1016/j.chemosphere.2025.144374","url":null,"abstract":"<div><div>Air pollution is a major environmental health risk and it has been associated with various diseases and mortality worldwide. The inhalation of fine particulate matter (PM) is an important cause of health effects from air pollution with one of underlaying mechanisms involving the induction of oxidative stress in the body. Oil sands mining is a major economic sector and a notable source of air pollution in northern Alberta, Canada. Despite this, studies investigating the potential health impacts associated with exposure to air pollutants in the region are rare. For the first time in this work, using an acellular <sup>•</sup>OH assay, we studied the oxidative potential (OP) of fine (<2.5 μm diameter) and coarse (2.5–10 μm diameter) PM from four community sites in the vicinity of oil sands production facilities. OP<sub>OH</sub> was found to be dominated by fine PM, which on average accounted for 70 % reactivity of the studied PM size range. The highest OP<sub>OH</sub> was found at the most populated sites located south of the open pit mines and with mixed emission sources, suggesting a cumulative effect of oil sands and non-oil sands sources. Nevertheless, OP<sub>OH</sub> was relatively small compared to values reported for urban sites influenced by traffic and industrial emissions in Canada. OP<sub>OH</sub> variation could not be linked with a statistical significance to changes in the concentrations of PM, trace metals, and secondary inorganic salts but, for a small set of samples, OP<sub>OH</sub> was associated with organic carbon and potassium, which suggests the influence of reactive organic species from biomass combustion. A larger sample size will be needed in order to examine more closely the links between various OP metrics and the aerosol composition and sources in the region. This work provides a proof of concept to support future studies aimed at assessing potential health impacts associated with exposure to air pollutants in the oil sands region.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":"Article 144374"},"PeriodicalIF":8.1,"publicationDate":"2025-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143826214","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
The main objective of this study was to determine the loads, sources and behaviour of n-alkanes and several polar organics, including plasticisers (phthalates, [bis]2-ethylhexyl adipate), psychotropic substances (both legal and illegal) and the mosquito repellent DEET, in the atmosphere of the city of Bab Ezzouar, northern Algeria. Particulate matter was classified into three fractions according to aerodynamic diameter: coarse (PM10-2.5), fine (PM2.5-1) and ultrafine (PM1-0.01) particles. s. Particulate samples were collected from the atmosphere using a high-volume sampler (HVS), and target compounds were characterised using gas chromatography coupled with mass spectrometry detection (GC-MS) over a one-year period (January 2018 to January 2019). In detail, 41 organic compounds were analysed. The total content of n-alkanes, considering the three particle size fractions, was found to be 43.8 ± 18.0 ng/m3, while the phthalate reached 27.4 ± 13.6 ng/m3. The incremental risk to human health was assessed using a model in accordance with USEPA guidelines. The results indicate that the carcinogenic risk for BBP and DEHP were 1.49 × 10−10 and 7.72 × 10−8, respectively.
The study of psychotropic substances revealed the occurrence of significant concentrations of nicotine and caffeine (up to tens of ng/m3), accompanied by cotinine and cannabinol. According to principal component analysis and three molecular indices (i.e. carbon preference index [CPI], carbon number of n-alkane maximum concentration [Cmax] and natural wax percentage [NW%]), PVC combustion and vehicle exhaust were the main sources of organic pollutants associated with airborne particles at Bab Ezzouar. Tabacco smoke and biogenic emissions (microorganisms/bacteria and high vegetation) contribute less to the formation of organic contaminants, although they cannot be ignored.
{"title":"Sources and characterisation of organic pollutants in airborne particle fractions in an urban area, Bab Ezzaour, Algeria: A focus on n-alkanes and polar substances","authors":"Amira Teffahi , Hamza Merabet , Abdellah Ibrir , Yacine Kerchich , Angelo Cecinato , Paola Romagnoli","doi":"10.1016/j.chemosphere.2025.144391","DOIUrl":"10.1016/j.chemosphere.2025.144391","url":null,"abstract":"<div><div>The main objective of this study was to determine the loads, sources and behaviour of n-alkanes and several polar organics, including plasticisers (phthalates, [bis]2-ethylhexyl adipate), psychotropic substances (both legal and illegal) and the mosquito repellent DEET, in the atmosphere of the city of Bab Ezzouar, northern Algeria. Particulate matter was classified into three fractions according to aerodynamic diameter: coarse (PM<sub>10-2.5</sub>), fine (PM<sub>2.5-1</sub>) and ultrafine (PM<sub>1-0.01</sub>) particles. s. Particulate samples were collected from the atmosphere using a high-volume sampler (HVS), and target compounds were characterised using gas chromatography coupled with mass spectrometry detection (GC-MS) over a one-year period (January 2018 to January 2019). In detail, 41 organic compounds were analysed. The total content of n-alkanes, considering the three particle size fractions, was found to be 43.8 ± 18.0 ng/m<sup>3</sup>, while the phthalate reached 27.4 ± 13.6 ng/m<sup>3</sup>. The incremental risk to human health was assessed using a model in accordance with USEPA guidelines. The results indicate that the carcinogenic risk for BBP and DEHP were 1.49 × 10<sup>−10</sup> and 7.72 × 10<sup>−8</sup>, respectively.</div><div>The study of psychotropic substances revealed the occurrence of significant concentrations of nicotine and caffeine (up to tens of ng/m<sup>3</sup>), accompanied by cotinine and cannabinol. According to principal component analysis and three molecular indices (i.e. carbon preference index [CPI], carbon number of n-alkane maximum concentration [Cmax] and natural wax percentage [NW%]), PVC combustion and vehicle exhaust were the main sources of organic pollutants associated with airborne particles at Bab Ezzouar. Tabacco smoke and biogenic emissions (microorganisms/bacteria and high vegetation) contribute less to the formation of organic contaminants, although they cannot be ignored.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":"Article 144391"},"PeriodicalIF":8.1,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824320","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Pub Date : 2025-04-13DOI: 10.1016/j.chemosphere.2025.144381
Miroslava Nedkyalkova , Mahdi Vasighi , Marco Lattuada
The relationship between Superparamagnetic Iron Oxide Nanoparticles (SPIONs) surface chemistry and their toxicological outcomes is crucial for biomedical applications, including drug delivery and imaging diagnostics. SPIONs' surface properties—such as size, shape, type of coating agents, and charge—are directly linked to their interactions with the biological environment, significantly affecting their toxicity. Surface chemistry plays a significant role in determining biocompatibility, cellular uptake, and the potential for adverse reactions. This study focuses on building a classification and prediction model based on the experimentally obtained properties and linked with the calculated molecular descriptors to describe the nature of the various coatings used for SPIONs in such a combined mode. The predictive model helps identify how specific surface modifications, including coating types and functional groups, influence toxicity responses. The results that were obtained, which correlate well with the existing literature, confirm the effects of surface chemistry on toxicity. For instance, the model accurately predicts that chitosan derivative coatings with a higher positive charge exhibit toxic potential, which aligns with previous findings. Incorporating these experimentally obtained surface features into a predictive framework enables the design of safer SPION formulations, enhancing therapeutic efficacy while managing surface chemistry's effects on toxicity.
{"title":"Integrating surface chemistry properties and machine learning to map the toxicity landscape of superparamagnetic iron oxide nanoparticles","authors":"Miroslava Nedkyalkova , Mahdi Vasighi , Marco Lattuada","doi":"10.1016/j.chemosphere.2025.144381","DOIUrl":"10.1016/j.chemosphere.2025.144381","url":null,"abstract":"<div><div>The relationship between Superparamagnetic Iron Oxide Nanoparticles (SPIONs) surface chemistry and their toxicological outcomes is crucial for biomedical applications, including drug delivery and imaging diagnostics. SPIONs' surface properties—such as size, shape, type of coating agents, and charge—are directly linked to their interactions with the biological environment, significantly affecting their toxicity. Surface chemistry plays a significant role in determining biocompatibility, cellular uptake, and the potential for adverse reactions. This study focuses on building a classification and prediction model based on the experimentally obtained properties and linked with the calculated molecular descriptors to describe the nature of the various coatings used for SPIONs in such a combined mode. The predictive model helps identify how specific surface modifications, including coating types and functional groups, influence toxicity responses. The results that were obtained, which correlate well with the existing literature, confirm the effects of surface chemistry on toxicity. For instance, the model accurately predicts that chitosan derivative coatings with a higher positive charge exhibit toxic potential, which aligns with previous findings. Incorporating these experimentally obtained surface features into a predictive framework enables the design of safer SPION formulations, enhancing therapeutic efficacy while managing surface chemistry's effects on toxicity.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":"Article 144381"},"PeriodicalIF":8.1,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143824321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Pub Date : 2025-04-13DOI: 10.1016/j.chemosphere.2025.144398
Deepanshi Tanwar, Shipra Tyagi, Kiranmay Sarma
PTEs contamination in drinking water has gained attention since it endangers human health. This study was attempted in southern region of Delhi, India as the region has remained unexplored and unexamined for groundwater contamination of PTEs. Spatially, PTEs concentrations and their distribution was analysed in groundwater with potential sources, probable toxicity, and related human health risks during pre-monsoon (PRM) and post-monsoon (POM) season of 2022–23. In both the seasons, mean value of Si is found higher followed by Fe, Al, Zn, Mn, B, Cu, Ni, Pb, Cr, As and Cd. Moreover, PTEs concentration found slightly higher during POM season. Principal Component Analysis (PCA) based loadings and scores determined the pollution sources mostly influencing south-eastern and northern plains where industrial effluent, residential discharge and landfill site leachate activities are prevalent in the region. It was observed that As, Fe, Mn, Al, Zn and Si derived from natural sources, whereas B, Ni, Pb, Cd, Cu and Cr originated from mixed sources. Likewise, pollution indices Heavy metal Pollution Index (HPI), Heavy metal Evaluation Index (HEI), Degree of Contamination (Cd) and Heavy metal Contamination Index (HCI) showed that groundwater is unfit for consumption for the similar regions. Among all the indices, HCI specifically identify pollution causing metals (Pb, Al, Cr, Fe, Ni) and toxicity level, which could be maintained within the BIS and WHO limits by diluting the water. Human health risk assessment has been computed by non-carcinogenic and carcinogenic risk. Non-carcinogenic assessment indicates that exposure of Fe and As may cause non-cancerous risk to children and carcinogenic risk (CR) assessment shows exposure of Pb, Cr and Ni may cause cancer risk to the overall population. Therefore, extensive groundwater quality monitoring and treatment would support the preventive action plan to safeguard drinking water quality and public health in the contaminated regions of study area.
{"title":"Seasonal and spatial investigation of groundwater contamination of potential toxic elements (PTEs) and associated health risks of southern region of Delhi, India","authors":"Deepanshi Tanwar, Shipra Tyagi, Kiranmay Sarma","doi":"10.1016/j.chemosphere.2025.144398","DOIUrl":"10.1016/j.chemosphere.2025.144398","url":null,"abstract":"<div><div>PTEs contamination in drinking water has gained attention since it endangers human health. This study was attempted in southern region of Delhi, India as the region has remained unexplored and unexamined for groundwater contamination of PTEs. Spatially, PTEs concentrations and their distribution was analysed in groundwater with potential sources, probable toxicity, and related human health risks during pre-monsoon (PRM) and post-monsoon (POM) season of 2022–23. In both the seasons, mean value of Si is found higher followed by Fe, Al, Zn, Mn, B, Cu, Ni, Pb, Cr, As and Cd. Moreover, PTEs concentration found slightly higher during POM season. Principal Component Analysis (PCA) based loadings and scores determined the pollution sources mostly influencing south-eastern and northern plains where industrial effluent, residential discharge and landfill site leachate activities are prevalent in the region. It was observed that As, Fe, Mn, Al, Zn and Si derived from natural sources, whereas B, Ni, Pb, Cd, Cu and Cr originated from mixed sources. Likewise, pollution indices Heavy metal Pollution Index (HPI), Heavy metal Evaluation Index (HEI), Degree of Contamination (C<sub>d</sub>) and Heavy metal Contamination Index (HCI) showed that groundwater is unfit for consumption for the similar regions. Among all the indices, HCI specifically identify pollution causing metals (Pb, Al, Cr, Fe, Ni) and toxicity level, which could be maintained within the BIS and WHO limits by diluting the water. Human health risk assessment has been computed by non-carcinogenic and carcinogenic risk. Non-carcinogenic assessment indicates that exposure of Fe and As may cause non-cancerous risk to children and carcinogenic risk (CR) assessment shows exposure of Pb, Cr and Ni may cause cancer risk to the overall population. Therefore, extensive groundwater quality monitoring and treatment would support the preventive action plan to safeguard drinking water quality and public health in the contaminated regions of study area.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":""},"PeriodicalIF":8.1,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825749","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Lead (Pb), a toxic heavy metal prevalent in the environment, poses serious health risks due to its persistence and bioaccumulation. While certain Lactiplantibacillus plantarum strains have demonstrated the ability to mitigate Pb toxicity in vivo, the molecular mechanisms remain unclear. We hypothesized that Pb-resistant L. plantarum strains employ unique physiological adaptations to survive and counteract Pb stress. To test this, tandem mass tag (TMT) proteomics and LC-MS metabolomics were applied to compare the Pb-tolerant strain CCFM8661 and Pb-sensitive strain CCFM578 under 128 mg/L Pb exposure. Metabolomics revealed that Pb stress altered levels of key metabolites, including proline, arginine, glutamic acid, and mannitol. Proteomics showed that Pb stress decreased the abundance of 30 key proteins, such as 1-phosphofructokinase, pyruvate kinase, and β-galactosidase, while increasing 10 key proteins, including thioredoxin, GTP pyrophosphokinase, and tRNA-binding protein. Integration of metabolomics and proteomics data indicated that Pb stress disrupted amino acid metabolism, suppressed energy pathways, and upregulated nucleic acid repair mechanisms. Notably, the Pb-resistant strain CCFM8661 demonstrated strong antioxidant defenses and could cope with Pb stress through ABC transporters, low-energy metabolism, membrane modification, and osmotic regulation. In contrast, CCFM578 exhibited inhibited transport activity, compromised DNA repair, and disrupted energy metabolism. Our findings suggest that L. plantarum's Pb resistance relies on coordinated regulation of antioxidant systems, amino acid/osmolyte synthesis, and transporter activity, along with adaptive energy conservation. This study offers valuable insights into microbial Pb detoxification strategies.
{"title":"The mechanisms of lead resistance in Lactiplantibacillus plantarum: Insights from proteomics and metabolomics analyses","authors":"Feng Chen , Leilei Yu , Jiani Pan , Chuan Zhang , Chengcheng Zhang , Jianxin Zhao , Narbad Arjan , Wei Chen , Fengwei Tian , Qixiao Zhai","doi":"10.1016/j.chemosphere.2025.144399","DOIUrl":"10.1016/j.chemosphere.2025.144399","url":null,"abstract":"<div><div>Lead (Pb), a toxic heavy metal prevalent in the environment, poses serious health risks due to its persistence and bioaccumulation. While certain <em>Lactiplantibacillus plantarum</em> strains have demonstrated the ability to mitigate Pb toxicity in vivo, the molecular mechanisms remain unclear. We hypothesized that Pb-resistant <em>L. plantarum</em> strains employ unique physiological adaptations to survive and counteract Pb stress. To test this, tandem mass tag (TMT) proteomics and LC-MS metabolomics were applied to compare the Pb-tolerant strain CCFM8661 and Pb-sensitive strain CCFM578 under 128 mg/L Pb exposure. Metabolomics revealed that Pb stress altered levels of key metabolites, including proline, arginine, glutamic acid, and mannitol. Proteomics showed that Pb stress decreased the abundance of 30 key proteins, such as 1-phosphofructokinase, pyruvate kinase, and β-galactosidase, while increasing 10 key proteins, including thioredoxin, GTP pyrophosphokinase, and tRNA-binding protein. Integration of metabolomics and proteomics data indicated that Pb stress disrupted amino acid metabolism, suppressed energy pathways, and upregulated nucleic acid repair mechanisms. Notably, the Pb-resistant strain CCFM8661 demonstrated strong antioxidant defenses and could cope with Pb stress through ABC transporters, low-energy metabolism, membrane modification, and osmotic regulation. In contrast, CCFM578 exhibited inhibited transport activity, compromised DNA repair, and disrupted energy metabolism. Our findings suggest that <em>L</em>. <em>plantarum</em>'s Pb resistance relies on coordinated regulation of antioxidant systems, amino acid/osmolyte synthesis, and transporter activity, along with adaptive energy conservation. This study offers valuable insights into microbial Pb detoxification strategies.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":""},"PeriodicalIF":8.1,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
Pub Date : 2025-04-13DOI: 10.1016/j.chemosphere.2025.144397
Marcelinus Christwardana , K. Khoirunnisa , Mukhammad Asy'ari , H. Hadiyanto
This study investigates the comparative effects of different nitrogen sources—peptone, tryptone, and bovine serum albumin (BSA)—on the growth, electron transport mechanisms, and MFCs performance of halophilic bacteria Bacillus clausii J1G-o%B. The objective is to identify the most effective nitrogen source for optimizing bacterial growth and enhancing MFC efficiency. Comprehensive analysis reveals that tryptone and peptone significantly enhance bacterial growth and stability compared to BSA. Increased concentrations of these nitrogen sources correlate with elevated ammonia production and notable pH changes, indicating heightened metabolic activity. The non-linear relationship between scan rate and current density suggests diffusion-limited redox reactions. Notably, higher tryptone concentrations significantly increase the electron transfer rate constant to 3.66 ± 0.02 s−1 when the concentration increases to 0.1 g/100 mL. Early voltage increases at around the 30th hour to 0.175 V under the T-0.1 condition further support the critical role of tryptone in accelerating bacterial growth and biofilm formation. Cyclic voltammetry experiments demonstrate that nitrogen source type and concentration influence electrical double layer characteristics. These findings underscore the potential of tryptone to optimize Bacillus clausii electrochemical performance, achieving a maximum power density of 36.93 mW/m2 at a current density of 196 mA/m2, paving the way for bioelectrochemical system applications.
{"title":"Evaluating nitrogen sources for enhanced halophilic bacteria growth, electron transfer, and microbial fuel cell performance","authors":"Marcelinus Christwardana , K. Khoirunnisa , Mukhammad Asy'ari , H. Hadiyanto","doi":"10.1016/j.chemosphere.2025.144397","DOIUrl":"10.1016/j.chemosphere.2025.144397","url":null,"abstract":"<div><div>This study investigates the comparative effects of different nitrogen sources—peptone, tryptone, and bovine serum albumin (BSA)—on the growth, electron transport mechanisms, and MFCs performance of halophilic bacteria <em>Bacillus clausii</em> J1G-o%B. The objective is to identify the most effective nitrogen source for optimizing bacterial growth and enhancing MFC efficiency. Comprehensive analysis reveals that tryptone and peptone significantly enhance bacterial growth and stability compared to BSA. Increased concentrations of these nitrogen sources correlate with elevated ammonia production and notable pH changes, indicating heightened metabolic activity. The non-linear relationship between scan rate and current density suggests diffusion-limited redox reactions. Notably, higher tryptone concentrations significantly increase the electron transfer rate constant to 3.66 ± 0.02 s<sup>−1</sup> when the concentration increases to 0.1 g/100 mL. Early voltage increases at around the 30th hour to 0.175 V under the T-0.1 condition further support the critical role of tryptone in accelerating bacterial growth and biofilm formation. Cyclic voltammetry experiments demonstrate that nitrogen source type and concentration influence electrical double layer characteristics. These findings underscore the potential of tryptone to optimize <em>Bacillus clausii</em> electrochemical performance, achieving a maximum power density of 36.93 mW/m<sup>2</sup> at a current density of 196 mA/m<sup>2</sup>, paving the way for bioelectrochemical system applications.</div></div>","PeriodicalId":276,"journal":{"name":"Chemosphere","volume":"378 ","pages":""},"PeriodicalIF":8.1,"publicationDate":"2025-04-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143825465","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
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