Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137254
Signe Agnete Møller, Margit Wagtberg Frederiksen, Pil Uthaug Rasmussen, Stine Karstenskov Østergaard, Jeppe Lund Nielsen, Anne Mette Madsen
Wastewater treatment plant (WWTP) workers are exposed to bioaerosols containing bacteria, fungi, and endotoxin, potentially posing health risks to workers. This study quantified personal exposure levels to airborne bacteria and fungi, endotoxin, and dust among 44 workers during two seasons at four WWTPs. Associations between the exposure measurements and serum levels of biomarkers CRP, SAA, and CC16 were also assessed. The potential deposition of viable microorganisms in workers’ airways were explored using stationary fractionating samplers. Microbial communities were characterized using long-read nanopore amplicon sequencing and MALDI-TOF mass spectrometry to identify species, including pathogenic or allergenic microorganisms. We found that bacterial and fungal exposure levels were significantly associated with work task (p < 0.001 and p = 0.00041, respectively), with high exposure variability within and between tasks. Workshop, sewer system inspection, and sewer cleaning were associated with the highest exposure levels. A significant positive correlation was found between CRP and bacterial exposure (p = 0.013), while significant negative correlations were found between CRP and endotoxin and dust exposures (p = 0.012 and p = 0.018, respectively). No significant associations were found between SAA or CC16 and the exposure measures. Microbial community composition in bioaerosols differed significantly between some work tasks while others showed similar compositions. Viable hazardous microorganisms such as Clostridium perfringens and Aspergillus fumigatus were found in workers’ exposures and in respiratory fractions of stationary air samples, indicating potential lung deposition. Further research is needed to assess possible long-term health risks from bioaerosol exposure at WWTPs.
{"title":"Characterization of bioaerosol exposures in wastewater treatment plant workers and serum levels of lung and inflammatory markers","authors":"Signe Agnete Møller, Margit Wagtberg Frederiksen, Pil Uthaug Rasmussen, Stine Karstenskov Østergaard, Jeppe Lund Nielsen, Anne Mette Madsen","doi":"10.1016/j.jhazmat.2025.137254","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137254","url":null,"abstract":"Wastewater treatment plant (WWTP) workers are exposed to bioaerosols containing bacteria, fungi, and endotoxin, potentially posing health risks to workers. This study quantified personal exposure levels to airborne bacteria and fungi, endotoxin, and dust among 44 workers during two seasons at four WWTPs. Associations between the exposure measurements and serum levels of biomarkers CRP, SAA, and CC16 were also assessed. The potential deposition of viable microorganisms in workers’ airways were explored using stationary fractionating samplers. Microbial communities were characterized using long-read nanopore amplicon sequencing and MALDI-TOF mass spectrometry to identify species, including pathogenic or allergenic microorganisms. We found that bacterial and fungal exposure levels were significantly associated with work task (<em>p</em> < 0.001 and <em>p</em> = 0.00041, respectively), with high exposure variability within and between tasks. Workshop, sewer system inspection, and sewer cleaning were associated with the highest exposure levels. A significant positive correlation was found between CRP and bacterial exposure (<em>p</em> = 0.013), while significant negative correlations were found between CRP and endotoxin and dust exposures (<em>p</em> = 0.012 and <em>p</em> = 0.018, respectively). No significant associations were found between SAA or CC16 and the exposure measures. Microbial community composition in bioaerosols differed significantly between some work tasks while others showed similar compositions. Viable hazardous microorganisms such as <em>Clostridium perfringens</em> and <em>Aspergillus fumigatus</em> were found in workers’ exposures and in respiratory fractions of stationary air samples, indicating potential lung deposition. Further research is needed to assess possible long-term health risks from bioaerosol exposure at WWTPs.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"75 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986910","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}
Pub Date : 2025-01-16DOI: 10.1016/j.jhazmat.2025.137249
Thodhal Yoganandham Suman, Ihn-Sil Kwak
Perfluorooctane sulfonate (PFOS) is a persistent organic pollutant of global concern due to its environmental presence,bioaccumulative potential and toxicological impacts. This review synthesizes current knowledge regarding PFOS exposure, bioaccumulation patterns and adverse health outcomes in human population. Analysis of worldwide biomonitoring data, and epidemiological studies reveals PFOS systemic effects, including immunological dysfunction (decreased vaccine response), developmental toxicity (reduced birth weight), hepatic metabolic disruption, potential carcinogenogenicity, and reproductive abnormalities. At the molecular level, PFOS induces toxicity through multiple pathways, including PI3K/AKT/mTOR pathway inhibition, PPARα activation, NF-κB signaling modulation, and oxidative stress induction. Recent advances in analytical methodologies have enhanced our understanding of PFOS distribution and fate, while evolving egulatory frameworks attempts to address its risk. This review identifies critical research gaps and emphasized the need for coordinated multidisciplinary approaches to address this persistent environmental contaminant.
{"title":"Current understanding of human bioaccumulation patterns and health effects of exposure to perfluorooctane sulfonate (PFOS)","authors":"Thodhal Yoganandham Suman, Ihn-Sil Kwak","doi":"10.1016/j.jhazmat.2025.137249","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137249","url":null,"abstract":"Perfluorooctane sulfonate (PFOS) is a persistent organic pollutant of global concern due to its environmental presence,bioaccumulative potential and toxicological impacts. This review synthesizes current knowledge regarding PFOS exposure, bioaccumulation patterns and adverse health outcomes in human population. Analysis of worldwide biomonitoring data, and epidemiological studies reveals PFOS systemic effects, including immunological dysfunction (decreased vaccine response), developmental toxicity (reduced birth weight), hepatic metabolic disruption, potential carcinogenogenicity, and reproductive abnormalities. At the molecular level, PFOS induces toxicity through multiple pathways, including PI3K/AKT/mTOR pathway inhibition, PPARα activation, NF-κB signaling modulation, and oxidative stress induction. Recent advances in analytical methodologies have enhanced our understanding of PFOS distribution and fate, while evolving egulatory frameworks attempts to address its risk. This review identifies critical research gaps and emphasized the need for coordinated multidisciplinary approaches to address this persistent environmental contaminant.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"37 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986900","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}
Pub Date : 2025-01-15DOI: 10.1016/j.jhazmat.2025.137230
Meng Zhao, Kui Huang, Feifei Wen, Hui Xia, Bingyu Song
The spread of antibiotic resistance genes (ARGs) in rural wastewater threatens both ecological environment and human health. Earthworm ecological filters (EEFs) represent a green technology for rural sewage treatment. However, their effectiveness in removing ARGs remains a significant challenge. This study aims to investigate the role and underlying mechanisms of biochar addition in enhancing ARGs removal in rural sewage using EEFs. To achieve this, the fate of chromosome- and plasmid-carried ARGs was quantified in constructed EEFs, both with and without biochar addition. The results showed that the biochar could effectively remove ARGs from rural sewage, with a better removal efficiency for plasmid-carried ARGs. The absolute abundance of plasmid-carried ARGs in the effluent was reduced by 0.4 to 11 times compared to chromosomal ones, showing removal stability improved by 13.11% to 74.51%. Additionally, the functional microbial community attached on the high porosity of biochar surface promoted ARGs retention, increasing diffusion limitation in microbial assembly mechanisms by 4.61-29.44%, which played a key role in plasmid-mediated horizontal gene transfer (HGT). Partial least squares structural equation modeling (PLS-SEM) revealed that biochar-mediated environmental changes and the HGT of mobile genetic elements (MGEs) were critical factors in reducing plasmid-carried ARGs in EEFs.
{"title":"Biochar reduces plasmid-mediated antibiotic resistance gene transfer in earthworm ecological filters for rural sewage treatment","authors":"Meng Zhao, Kui Huang, Feifei Wen, Hui Xia, Bingyu Song","doi":"10.1016/j.jhazmat.2025.137230","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137230","url":null,"abstract":"The spread of antibiotic resistance genes (ARGs) in rural wastewater threatens both ecological environment and human health. Earthworm ecological filters (EEFs) represent a green technology for rural sewage treatment. However, their effectiveness in removing ARGs remains a significant challenge. This study aims to investigate the role and underlying mechanisms of biochar addition in enhancing ARGs removal in rural sewage using EEFs. To achieve this, the fate of chromosome- and plasmid-carried ARGs was quantified in constructed EEFs, both with and without biochar addition. The results showed that the biochar could effectively remove ARGs from rural sewage, with a better removal efficiency for plasmid-carried ARGs. The absolute abundance of plasmid-carried ARGs in the effluent was reduced by 0.4 to 11 times compared to chromosomal ones, showing removal stability improved by 13.11% to 74.51%. Additionally, the functional microbial community attached on the high porosity of biochar surface promoted ARGs retention, increasing diffusion limitation in microbial assembly mechanisms by 4.61-29.44%, which played a key role in plasmid-mediated horizontal gene transfer (HGT). Partial least squares structural equation modeling (PLS-SEM) revealed that biochar-mediated environmental changes and the HGT of mobile genetic elements (MGEs) were critical factors in reducing plasmid-carried ARGs in EEFs.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"31 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981590","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}
Aquaculture organisms may accumulate metals to induce health risks. Compared with the focus on total contents, chemical-specific risk assessment makes reasonable but is rare. Herein, we elucidated occurrence of twelve metal compounds in shrimp and fish (edible muscle, one of major metal-containing and generally targeted organs), water, sediment, and feedstuff from two aquaculture ponds in Zhejiang Province (one of the major aquatic production and consumption areas). We detected Cd(II) (0.6−71.4 μg kg–1 in 100% prawn but 63% fish), methylmercury (MeHg, 0.5−7.1 μg kg–1 in 100% fish but 61% shrimp), Pb(II) (0.4−1.0 μg kg–1 in 57% fish and 39% prawn), and trimethyltin and triethyltin (0.4−0.7 μg kg–1), which were much lower than the maximum limits in China. Pb(II), Cd(II), and Hg(II) up to 0.38 mg kg–1 were main contaminants in sediment while Cd(II) and Pb(II) up to 0.44 mg kg–1 were major contaminants in feedstuff compared with Cd(II), Sn(II), Hg(II), and Pb(II) majored in water at ng L–1 levels. Ecological risks were low in water but high for tributyltin in sediment. Additionally, light bioaccumulation of Cd(II) from sediment for prawn and methylmercury from feedstuff/sediment for crucian and bighead carp was induced. We also found light health risk of triethyl- and trimethyl lead, and Cd(II) (to children) associated with fish/shrimp consumption (edible muscle). This study proved high necessity of chemical-specific assessment, and shall trigger increasing interest to more metallic compounds in a wide range of uncultured and cultured plants and animals.
{"title":"Occurrence, bioaccumulation, and ecological and health risks of Cd, Sn, Hg, and Pb compounds in shrimp and fish from aquaculture ponds","authors":"Pingxiu Zeng, Hongmei Hu, Yuanchao Wang, Jinhua Liu, Heyong Cheng","doi":"10.1016/j.jhazmat.2025.137245","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137245","url":null,"abstract":"Aquaculture organisms may accumulate metals to induce health risks. Compared with the focus on total contents, chemical-specific risk assessment makes reasonable but is rare. Herein, we elucidated occurrence of twelve metal compounds in shrimp and fish (edible muscle, one of major metal-containing and generally targeted organs), water, sediment, and feedstuff from two aquaculture ponds in Zhejiang Province (one of the major aquatic production and consumption areas). We detected Cd(II) (0.6−71.4<!-- --> <!-- -->μg<!-- --> <!-- -->kg<sup>–1</sup> in 100% prawn but 63% fish), methylmercury (MeHg, 0.5−7.1<!-- --> <!-- -->μg<!-- --> <!-- -->kg<sup>–1</sup> in 100% fish but 61% shrimp), Pb(II) (0.4−1.0<!-- --> <!-- -->μg<!-- --> <!-- -->kg<sup>–1</sup> in 57% fish and 39% prawn), and trimethyltin and triethyltin (0.4−0.7<!-- --> <!-- -->μg<!-- --> <!-- -->kg<sup>–1</sup>), which were much lower than the maximum limits in China. Pb(II), Cd(II), and Hg(II) up to 0.38<!-- --> <!-- -->mg<!-- --> <!-- -->kg<sup>–1</sup> were main contaminants in sediment while Cd(II) and Pb(II) up to 0.44<!-- --> <!-- -->mg<!-- --> <!-- -->kg<sup>–1</sup> were major contaminants in feedstuff compared with Cd(II), Sn(II), Hg(II), and Pb(II) majored in water at ng L<sup>–1</sup> levels. Ecological risks were low in water but high for tributyltin in sediment. Additionally, light bioaccumulation of Cd(II) from sediment for prawn and methylmercury from feedstuff/sediment for crucian and bighead carp was induced. We also found light health risk of triethyl- and trimethyl lead, and Cd(II) (to children) associated with fish/shrimp consumption (edible muscle). This study proved high necessity of chemical-specific assessment, and shall trigger increasing interest to more metallic compounds in a wide range of uncultured and cultured plants and animals.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"8 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981596","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}
Pub Date : 2025-01-15DOI: 10.1016/j.jhazmat.2025.137243
Hao Yu, Mingyang Zhang, Huiying Liu, Juanjuan Xiao, Jianan Men, Tomislav Cernava, Ye Deng, Decai Jin
Biodegradable mulch films (BDMs) are becoming increasingly popular in agriculture and are emerging as an alternative to conventional polyethylene (PE) films. However, the intricate details surrounding the establishment and growth of BDMs and PE during their degradation in agricultural fields remain unclear. In this study, the succession of bacterial communities in farmland soil and the plastispheres of PE and BDMs were compared through 16S rRNA gene high-throughput sequencing and Real-time PCR. The results unveiled noteworthy distinctions in bacterial community structures across different samples. Specifically, the α-diversity in the BDM plastispheres was markedly lower than in the PE plastisphere. Hydrogenophaga and Variovorax genera were abundantly present in the BDM plastisphere, whereas Mycobacterium demonstrated significant enrichment in the PE plastisphere. Functional annotations indicated high abundances of degradation-related and pathogen-related functions in both BDM and PE plastispheres. Furthermore, the BDM plastisphere exhibited lower network complexity and modularity and stronger competitive interactions than the PE plastisphere. The iCAMP analysis showed that stochastic community assembly processes largely govern the PE plastisphere, while deterministic processes prevailed in BDMs and increased significantly over time. These findings shed light on different mulching materials’ effects in farmland ecosystems and provide insights into potential ecological risks linked to their usage.
{"title":"Comparison of plastisphere microbiomes during the degradation of conventional and biodegradable mulching films","authors":"Hao Yu, Mingyang Zhang, Huiying Liu, Juanjuan Xiao, Jianan Men, Tomislav Cernava, Ye Deng, Decai Jin","doi":"10.1016/j.jhazmat.2025.137243","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137243","url":null,"abstract":"Biodegradable mulch films (BDMs) are becoming increasingly popular in agriculture and are emerging as an alternative to conventional polyethylene (PE) films. However, the intricate details surrounding the establishment and growth of BDMs and PE during their degradation in agricultural fields remain unclear. In this study, the succession of bacterial communities in farmland soil and the plastispheres of PE and BDMs were compared through 16S rRNA gene high-throughput sequencing and Real-time PCR. The results unveiled noteworthy distinctions in bacterial community structures across different samples. Specifically, the α-diversity in the BDM plastispheres was markedly lower than in the PE plastisphere. <em>Hydrogenophaga</em> and <em>Variovorax</em> genera were abundantly present in the BDM plastisphere, whereas <em>Mycobacterium</em> demonstrated significant enrichment in the PE plastisphere. Functional annotations indicated high abundances of degradation-related and pathogen-related functions in both BDM and PE plastispheres. Furthermore, the BDM plastisphere exhibited lower network complexity and modularity and stronger competitive interactions than the PE plastisphere. The iCAMP analysis showed that stochastic community assembly processes largely govern the PE plastisphere, while deterministic processes prevailed in BDMs and increased significantly over time. These findings shed light on different mulching materials’ effects in farmland ecosystems and provide insights into potential ecological risks linked to their usage.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"20 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981598","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}
Pub Date : 2025-01-15DOI: 10.1016/j.jhazmat.2025.137224
Na Lu, Yijun Li, Yaya Zhang, Zhongyong Yan, Xiaocheng Wang, You Wang
The emerging contaminants hexabromocyclododecanes (HBCDs) are proved to exhibit highly reproductive toxicity to marine rotifer Brachionus plicatilis, but how about the toxic differentiation among three diastereoisomers of HBCD, and what’s the possible hidden mechanism? B. plicatilis was exposed to different concentrations of HBCD diastereoisomers, and the results showed that α-, β- and γ-HBCD exhibited various toxicity on it, the adverse effects on individual life history traits included shortened lifespan, shortened body length and reduced offspring number. Population dynamics analysis showed that the maximum population density and time to reach it were also significantly influenced. The integrated biomarker responses (IBR) were constructed based on key life history traits and population dynamics indicators, and the comprehensive toxicity ranking of HBCD diastereoisomers was β-HBCD> α-HBCD> γ-HBCD, which was consistent with acute experimental results. Results of transcriptome with emphasis on chemical defensome was conducted. Genes including cytochrome P450 enzymes (CYP450s), aldehyde dehydrogenases (ALDHs), glutathione S-transferases (GSTs) and SOD were upregulated under γ-HBCD compared to those under α- and β-HBCD. Results of molecular docking suggested γ-HBCD had stronger affinity with aryl hydrocarbon receptor (AhR) that made it more easily activate the subsequent components of the defending pathway. Moreover, transcriptome result showed the level of autophagy, the newly found protective pathway in B. plicatilis was higher under α- and β-HBCD than that under γ-HBCD and the TEM observation result provided the consist directly proof. The chemical defensome and the subsequently autophagy seemed to be the hidden mechanism for the toxicity differentiation of the HBCD diastereoisomers.
{"title":"Transcriptome analysis reveals the different toxic mechanism of three HBCD diastereoisomers to Brachionus plicatilis based on chemical defensome","authors":"Na Lu, Yijun Li, Yaya Zhang, Zhongyong Yan, Xiaocheng Wang, You Wang","doi":"10.1016/j.jhazmat.2025.137224","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137224","url":null,"abstract":"The emerging contaminants hexabromocyclododecanes (HBCDs) are proved to exhibit highly reproductive toxicity to marine rotifer <em>Brachionus plicatilis</em>, but how about the toxic differentiation among three diastereoisomers of HBCD, and what’s the possible hidden mechanism? <em>B. plicatilis</em> was exposed to different concentrations of HBCD diastereoisomers, and the results showed that α-, β- and γ-HBCD exhibited various toxicity on it, the adverse effects on individual life history traits included shortened lifespan, shortened body length and reduced offspring number. Population dynamics analysis showed that the maximum population density and time to reach it were also significantly influenced. The integrated biomarker responses (IBR) were constructed based on key life history traits and population dynamics indicators, and the comprehensive toxicity ranking of HBCD diastereoisomers was β-HBCD> α-HBCD> γ-HBCD, which was consistent with acute experimental results. Results of transcriptome with emphasis on chemical defensome was conducted. Genes including cytochrome P450 enzymes (CYP450s), aldehyde dehydrogenases (ALDHs), glutathione S-transferases (GSTs) and SOD were upregulated under γ-HBCD compared to those under α- and β-HBCD. Results of molecular docking suggested γ-HBCD had stronger affinity with aryl hydrocarbon receptor (AhR) that made it more easily activate the subsequent components of the defending pathway. Moreover, transcriptome result showed the level of autophagy, the newly found protective pathway in <em>B. plicatilis</em> was higher under α- and β-HBCD than that under γ-HBCD and the TEM observation result provided the consist directly proof. The chemical defensome and the subsequently autophagy seemed to be the hidden mechanism for the toxicity differentiation of the HBCD diastereoisomers.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"9 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981599","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}
The growing abuse of fentanyl and its analogues (FTNs) presents a substantial public health threat, prompting the introduction of regulatory controls by government authorities. Nevertheless, existing screening strategies for FTNs are primarily based on targeted or non-targeted approaches that utilize a limited set of mass spectrometry fragmentation data, which are far from meeting the needs of class scheduling. In this study, a comprehensive non-targeted screening strategy for FTNs was developed. Firstly, existing and potential unknown structures were obtained and a database was created by combining the substitution patterns and the characteristic fragmentation routes (CFRs). Following this, a preliminary screening was executed by matching entries from the CFRs database with empirical data to identify CFRs and suggest candidate structures. The likelihood of an analyte being an FTNs increased with the identification of multiple CFRs. After that, a final judgment was made based on the similarity of the isotope distribution of the candidate structures and the spectra obtained, along with the evaluation of chromatographic peak profile. This proposed strategy could achieve an extensive coverage of 1.25×1015. To facilitate the establishment and implementation of the strategy, a computer-aided program named FTNs_Finder was developed. To validate this method, false negative and false positive assessments were performed using the MS/MS data from 29 FTNs and 5,180 datasets from MassBank. In addition, it was further applied to the presence screening of FTNs in environmental water samples. Overall, this work could effectively promote the class scheduling of FTNs and provide a reference for the design and implementation of screening strategies for other hazardous substances.
{"title":"Development and Application of a Comprehensive Non-targeted Screening Strategy for Fentanyl Analogues","authors":"Xiaoqi Chen, Bing Xia, Wenlin Wu, Zhuolin Jin, Yu Wang, Yan Zhou","doi":"10.1016/j.jhazmat.2025.137232","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137232","url":null,"abstract":"The growing abuse of fentanyl and its analogues (FTNs) presents a substantial public health threat, prompting the introduction of regulatory controls by government authorities. Nevertheless, existing screening strategies for FTNs are primarily based on targeted or non-targeted approaches that utilize a limited set of mass spectrometry fragmentation data, which are far from meeting the needs of class scheduling. In this study, a comprehensive non-targeted screening strategy for FTNs was developed. Firstly, existing and potential unknown structures were obtained and a database was created by combining the substitution patterns and the characteristic fragmentation routes (CFRs). Following this, a preliminary screening was executed by matching entries from the CFRs database with empirical data to identify CFRs and suggest candidate structures. The likelihood of an analyte being an FTNs increased with the identification of multiple CFRs. After that, a final judgment was made based on the similarity of the isotope distribution of the candidate structures and the spectra obtained, along with the evaluation of chromatographic peak profile. This proposed strategy could achieve an extensive coverage of 1.25×10<sup>15</sup>. To facilitate the establishment and implementation of the strategy, a computer-aided program named FTNs_Finder was developed. To validate this method, false negative and false positive assessments were performed using the MS/MS data from 29 FTNs and 5,180 datasets from MassBank. In addition, it was further applied to the presence screening of FTNs in environmental water samples. Overall, this work could effectively promote the class scheduling of FTNs and provide a reference for the design and implementation of screening strategies for other hazardous substances.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"84 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981642","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}
Pub Date : 2025-01-15DOI: 10.1016/j.jhazmat.2025.137235
Yuexin Cao, Carla A. Ng
Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals used extensively across industries, including semiconductor manufacturing. Semiconductors are ubiquitous, and there is increasing global demand for semiconductors, e.g., for advanced technologies and the automotive industry. Despite their extensive use, the toxicity and bioaccumulation potential of PFAS used in photolithography, a critical process in semiconductor manufacturing, remain poorly understood. Moreover, most lack experimental data and standards for testing. Here, we identified 96 photolithography-relevant PFAS and developed a computational framework to evaluate their potential hazards through protein binding. By integrating molecular dynamics (MD) and docking, we predicted the binding affinities and positions of PFAS to five proteins—liver fatty acid binding protein (LFABP), serum albumin (SA), peroxisome proliferator-activated receptors α and γ (PPARα and PPARγ), and transthyretin (TTR). These proteins were chosen as their binding with PFAS has been linked to PFAS bioaccumulation and to hepatic, reproductive, developmental, and endocrine disruption. Comparisons with empirical data demonstrated our approach balances simulation speed and robustness, better estimating absolute and relative binding affinities than docking alone. PFAS-protein binding affinities were generally positively associated with fluorinated chain length and the presence of aromatic rings, but limited by the protein binding pocket dimensions. Notably, we identified 22 PFAS with stronger predicted binding than perfluorooctane sulfonic acid (PFOS), a known hazardous PFAS, to at least one target protein, suggesting the potential for toxicological concern. By enabling proactive evaluation of PFAS that are unavailable for experimental testing, this work contributes to safeguarding environmental and human health amidst rising semiconductor demands.
{"title":"High-throughput Screening of Protein Interactions with Per- and Polyfluoroalkyl Substances (PFAS) Used in Photolithography","authors":"Yuexin Cao, Carla A. Ng","doi":"10.1016/j.jhazmat.2025.137235","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137235","url":null,"abstract":"Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals used extensively across industries, including semiconductor manufacturing. Semiconductors are ubiquitous, and there is increasing global demand for semiconductors, e.g., for advanced technologies and the automotive industry. Despite their extensive use, the toxicity and bioaccumulation potential of PFAS used in photolithography, a critical process in semiconductor manufacturing, remain poorly understood. Moreover, most lack experimental data and standards for testing. Here, we identified 96 photolithography-relevant PFAS and developed a computational framework to evaluate their potential hazards through protein binding. By integrating molecular dynamics (MD) and docking, we predicted the binding affinities and positions of PFAS to five proteins—liver fatty acid binding protein (LFABP), serum albumin (SA), peroxisome proliferator-activated receptors α and γ (PPARα and PPARγ), and transthyretin (TTR). These proteins were chosen as their binding with PFAS has been linked to PFAS bioaccumulation and to hepatic, reproductive, developmental, and endocrine disruption. Comparisons with empirical data demonstrated our approach balances simulation speed and robustness, better estimating absolute and relative binding affinities than docking alone. PFAS-protein binding affinities were generally positively associated with fluorinated chain length and the presence of aromatic rings, but limited by the protein binding pocket dimensions. Notably, we identified 22 PFAS with stronger predicted binding than perfluorooctane sulfonic acid (PFOS), a known hazardous PFAS, to at least one target protein, suggesting the potential for toxicological concern. By enabling proactive evaluation of PFAS that are unavailable for experimental testing, this work contributes to safeguarding environmental and human health amidst rising semiconductor demands.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"1 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986926","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}
Pub Date : 2025-01-15DOI: 10.1016/j.jhazmat.2025.137207
Tao Ye, Yingbin Li, Xiangming Zhou, Yuhang Ye, Xuran Liu, Weiping Xiong
The production scalability and increasing demand for black phosphorus nanosheets (BPNSs) inevitably lead to environmental leakage. Although BPNSs' ecotoxicological effects have been demonstrated, their indirect health risks, such as inducing increased resistance in pathogenic bacteria, are often overlooked. This study explores the influence of BPNSs on the horizontal gene transfer of antibiotic resistance genes (ARGs) facilitated by the RP4 plasmid, which carries multiple resistance genes. The results indicated that BPNSs exhibited concentration-dependent hormesis-like effects on bacterial conjugation gene transfer. Specifically, at sub-inhibitory concentrations (0.0001-1 mg/L), BPNSs promoted both intra- and intergeneric conjugative transfer, demonstrating an initial increase followed by a decline, with transfer rates rising by 1.5-3.1-fold and 1.5-3.3-fold, respectively. BPNSs were found to induce reactive oxygen species (ROS) production, increase malondialdehyde levels, and trigger the SOS response, enhancing plasmid uptake. Additionally, BPNSs increased membrane permeability by forming pores and upregulating outer membrane porins (OMPs) genes. At higher BPNSs concentrations (0.1-1 mg/L), conjugative frequency was inhibited due to the disruption of the cellular antioxidant system and changes in the adsorption process. These findings underscore the influence of BPNSs on the conjugative transfer of ARGs, complementing current knowledge of the biotoxicity and potential ecological risks associated with BPNSs.
{"title":"Hormesis-Like Effects of Black Phosphorus Nanosheets on the Spread of Multiple Antibiotic Resistance Genes","authors":"Tao Ye, Yingbin Li, Xiangming Zhou, Yuhang Ye, Xuran Liu, Weiping Xiong","doi":"10.1016/j.jhazmat.2025.137207","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137207","url":null,"abstract":"The production scalability and increasing demand for black phosphorus nanosheets (BPNSs) inevitably lead to environmental leakage. Although BPNSs' ecotoxicological effects have been demonstrated, their indirect health risks, such as inducing increased resistance in pathogenic bacteria, are often overlooked. This study explores the influence of BPNSs on the horizontal gene transfer of antibiotic resistance genes (ARGs) facilitated by the RP4 plasmid, which carries multiple resistance genes. The results indicated that BPNSs exhibited concentration-dependent hormesis-like effects on bacterial conjugation gene transfer. Specifically, at sub-inhibitory concentrations (0.0001-1<!-- --> <!-- -->mg/L), BPNSs promoted both intra- and intergeneric conjugative transfer, demonstrating an initial increase followed by a decline, with transfer rates rising by 1.5-3.1-fold and 1.5-3.3-fold, respectively. BPNSs were found to induce reactive oxygen species (ROS) production, increase malondialdehyde levels, and trigger the SOS response, enhancing plasmid uptake. Additionally, BPNSs increased membrane permeability by forming pores and upregulating outer membrane porins (OMPs) genes. At higher BPNSs concentrations (0.1-1<!-- --> <!-- -->mg/L), conjugative frequency was inhibited due to the disruption of the cellular antioxidant system and changes in the adsorption process. These findings underscore the influence of BPNSs on the conjugative transfer of ARGs, complementing current knowledge of the biotoxicity and potential ecological risks associated with BPNSs.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"10 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142986924","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}
Pub Date : 2025-01-15DOI: 10.1016/j.jhazmat.2025.137239
Wenjuan Jia, Zhimao Deng, Marco Petrangeli Papini, Lirong Cheng, Naifu Jin, Dan Zhang, Zhengyan Li, Dayi Zhang, Yi Zhu, Aizhong Ding
The limited understanding of microbial response mechanism remains as a bottleneck to evaluate the long-term remediation effectiveness of in situ chemical oxidation in contaminated groundwater. In this study, we investigated long-term response of bacterial communities throughout five remediation stages of pre-oxidation, early-oxidation, late-oxidation, early-recovery and late-recovery. By analyzing bacterial biomass, taxa, diversity and metabolic functions, this work identified the consistently suppressed glyceraldehyde-3-phosphate dehydrogenase pathway and the enrichment of naphthalene degradation pathways for secondary products, suggesting persistent oxidation stress and enhanced microbial utilization of lower-molecular weight carbon sources at the oxidation and early-recovery stages. The dominant microbial clusters shifted from r-strategists to K-strategists and then back to r-strategists, indicating their higher degradation efficiency of petroleum hydrocarbons throughout the oxidation process. The changes in stability and stochastic assembly of bacterial communities during in situ chemical oxidation suggested that oxidative stress, carbon source addition and carbon source limitation as the main influential factors of bacterial community succession at the oxidation, early-recovery and late-recovery stage, respectively. Our findings highlighted the complex recovery and underlying mechanisms of groundwater bacterial communities during in situ chemical oxidation process, and provided valuable insights for effective and long-term site management after in situ chemical oxidation practices.
{"title":"Long-term response mechanism of bacterial communities to chemical oxidation remediation in petroleum hydrocarbon contaminated groundwater","authors":"Wenjuan Jia, Zhimao Deng, Marco Petrangeli Papini, Lirong Cheng, Naifu Jin, Dan Zhang, Zhengyan Li, Dayi Zhang, Yi Zhu, Aizhong Ding","doi":"10.1016/j.jhazmat.2025.137239","DOIUrl":"https://doi.org/10.1016/j.jhazmat.2025.137239","url":null,"abstract":"The limited understanding of microbial response mechanism remains as a bottleneck to evaluate the long-term remediation effectiveness of <em>in situ</em> chemical oxidation in contaminated groundwater. In this study, we investigated long-term response of bacterial communities throughout five remediation stages of pre-oxidation, early-oxidation, late-oxidation, early-recovery and late-recovery. By analyzing bacterial biomass, taxa, diversity and metabolic functions, this work identified the consistently suppressed glyceraldehyde-3-phosphate dehydrogenase pathway and the enrichment of naphthalene degradation pathways for secondary products, suggesting persistent oxidation stress and enhanced microbial utilization of lower-molecular weight carbon sources at the oxidation and early-recovery stages. The dominant microbial clusters shifted from r-strategists to K-strategists and then back to r-strategists, indicating their higher degradation efficiency of petroleum hydrocarbons throughout the oxidation process. The changes in stability and stochastic assembly of bacterial communities during <em>in situ</em> chemical oxidation suggested that oxidative stress, carbon source addition and carbon source limitation as the main influential factors of bacterial community succession at the oxidation, early-recovery and late-recovery stage, respectively. Our findings highlighted the complex recovery and underlying mechanisms of groundwater bacterial communities during <em>in situ</em> chemical oxidation process, and provided valuable insights for effective and long-term site management after <em>in situ</em> chemical oxidation practices.","PeriodicalId":361,"journal":{"name":"Journal of Hazardous Materials","volume":"23 1","pages":""},"PeriodicalIF":13.6,"publicationDate":"2025-01-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142981592","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}
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