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Effects of Environmental Chemical Pollutants on Microbiome Diversity: Insights from Shotgun Metagenomics. 环境化学污染物对微生物组多样性的影响:射枪元基因组学的启示
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-19 DOI: 10.3390/toxics13020142
Seid Muhie, Aarti Gautam, John Mylroie, Bintu Sowe, Ross Campbell, Edward J Perkins, Rasha Hammamieh, Natàlia Garcia-Reyero

Chemical exposure in the environment can adversely affect the biodiversity of living organisms, particularly when persistent chemicals accumulate over time and disrupt the balance of microbial populations. In this study, we examined how chemical contaminants influence microorganisms in sediment and overlaying water samples collected from the Kinnickinnic, Milwaukee, and Menomonee Rivers near Milwaukee, Wisconsin, USA. We characterized these samples using shotgun metagenomic sequencing to assess microbiome diversity and employed chemical analyses to quantify more than 200 compounds spanning 16 broad classes, including pesticides, industrial products, personal care products, and pharmaceuticals. Integrative and differential comparative analyses of the combined datasets revealed that microbial density, approximated by adjusted total sequence reads, declined with increasing total chemical concentrations. Protozoan, metazoan, and fungal populations were negatively correlated with higher chemical concentrations, whereas certain bacterial (particularly Proteobacteria) and archaeal populations showed positive correlations. As expected, sediment samples exhibited higher concentrations and a wider dynamic range of chemicals compared to water samples. Varying levels of chemical contamination appeared to shape the distribution of microbial taxa, with some bacterial, metazoan, and protozoan populations present only at certain sites or in specific sample types (sediment versus water). These findings suggest that microbial diversity may be linked to both the type and concentration of chemicals present. Additionally, this study demonstrates the potential roles of multiple microbial kingdoms in degrading environmental pollutants, emphasizing the metabolic versatility of bacteria and archaea in processing complex contaminants such as polyaromatic hydrocarbons and bisphenols. Through functional and resistance gene profiling, we observed that multi-kingdom microbial consortia-including bacteria, fungi, and protozoa-can contribute to bioremediation strategies and help restore ecological balance in contaminated ecosystems. This approach may also serve as a valuable proxy for assessing the types and levels of chemical pollutants, as well as their effects on biodiversity.

{"title":"Effects of Environmental Chemical Pollutants on Microbiome Diversity: Insights from Shotgun Metagenomics.","authors":"Seid Muhie, Aarti Gautam, John Mylroie, Bintu Sowe, Ross Campbell, Edward J Perkins, Rasha Hammamieh, Natàlia Garcia-Reyero","doi":"10.3390/toxics13020142","DOIUrl":"https://doi.org/10.3390/toxics13020142","url":null,"abstract":"<p><p>Chemical exposure in the environment can adversely affect the biodiversity of living organisms, particularly when persistent chemicals accumulate over time and disrupt the balance of microbial populations. In this study, we examined how chemical contaminants influence microorganisms in sediment and overlaying water samples collected from the Kinnickinnic, Milwaukee, and Menomonee Rivers near Milwaukee, Wisconsin, USA. We characterized these samples using shotgun metagenomic sequencing to assess microbiome diversity and employed chemical analyses to quantify more than 200 compounds spanning 16 broad classes, including pesticides, industrial products, personal care products, and pharmaceuticals. Integrative and differential comparative analyses of the combined datasets revealed that microbial density, approximated by adjusted total sequence reads, declined with increasing total chemical concentrations. Protozoan, metazoan, and fungal populations were negatively correlated with higher chemical concentrations, whereas certain bacterial (particularly Proteobacteria) and archaeal populations showed positive correlations. As expected, sediment samples exhibited higher concentrations and a wider dynamic range of chemicals compared to water samples. Varying levels of chemical contamination appeared to shape the distribution of microbial taxa, with some bacterial, metazoan, and protozoan populations present only at certain sites or in specific sample types (sediment versus water). These findings suggest that microbial diversity may be linked to both the type and concentration of chemicals present. Additionally, this study demonstrates the potential roles of multiple microbial kingdoms in degrading environmental pollutants, emphasizing the metabolic versatility of bacteria and archaea in processing complex contaminants such as polyaromatic hydrocarbons and bisphenols. Through functional and resistance gene profiling, we observed that multi-kingdom microbial consortia-including bacteria, fungi, and protozoa-can contribute to bioremediation strategies and help restore ecological balance in contaminated ecosystems. This approach may also serve as a valuable proxy for assessing the types and levels of chemical pollutants, as well as their effects on biodiversity.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493671","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
Air Pollution Exposure and Gestational Diabetes Mellitus Risk: A Retrospective Case-Control Study with Multi-Pollutant Analysis in Wuhan, Hubei Province.
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-19 DOI: 10.3390/toxics13020141
Mengyang Dai, Jianfeng Liu, Min Hu, Feng Zhang, Yanjun Wang, Fangfang Dai, Rui Qu, Zhixiang Fang, Jing Yang

Ambient air pollution has been associated with gestational diabetes mellitus (GDM); however, evidence regarding trimester-specific effects from China remains limited. This case-control study study analyzed data from pregnant women who delivered in Wuhan, China, between 2017 and 2022 (164 GDM cases and 731 controls), integrating geographic information, air quality measurements, and maternal characteristics. Using Inverse Distance Weighting interpolation and Generalized Linear Mixed Models (GLMM), we assessed associations between air pollutant exposure and GDM across different gestational periods. Results indicated that NO2 demonstrated the strongest association with GDM compared to other pollutants. Specifically, increased NO2 exposure was consistently associated with higher GDM risk throughout pregnancy. PM2.5 exposure showed significant associations during early and mid-pregnancy, while SO2 exposure was significantly associated with GDM risk exclusively in early pregnancy. Sensitivity analyses stratified by urban maternity status and maternal age revealed the stability of the study's findings. These findings underscore the importance of reducing air pollution exposure during pregnancy and implementing targeted interventions for high-risk populations to prevent GDM development.

{"title":"Air Pollution Exposure and Gestational Diabetes Mellitus Risk: A Retrospective Case-Control Study with Multi-Pollutant Analysis in Wuhan, Hubei Province.","authors":"Mengyang Dai, Jianfeng Liu, Min Hu, Feng Zhang, Yanjun Wang, Fangfang Dai, Rui Qu, Zhixiang Fang, Jing Yang","doi":"10.3390/toxics13020141","DOIUrl":"https://doi.org/10.3390/toxics13020141","url":null,"abstract":"<p><p>Ambient air pollution has been associated with gestational diabetes mellitus (GDM); however, evidence regarding trimester-specific effects from China remains limited. This case-control study study analyzed data from pregnant women who delivered in Wuhan, China, between 2017 and 2022 (164 GDM cases and 731 controls), integrating geographic information, air quality measurements, and maternal characteristics. Using Inverse Distance Weighting interpolation and Generalized Linear Mixed Models (GLMM), we assessed associations between air pollutant exposure and GDM across different gestational periods. Results indicated that NO<sub>2</sub> demonstrated the strongest association with GDM compared to other pollutants. Specifically, increased NO<sub>2</sub> exposure was consistently associated with higher GDM risk throughout pregnancy. PM<sub>2.5</sub> exposure showed significant associations during early and mid-pregnancy, while SO<sub>2</sub> exposure was significantly associated with GDM risk exclusively in early pregnancy. Sensitivity analyses stratified by urban maternity status and maternal age revealed the stability of the study's findings. These findings underscore the importance of reducing air pollution exposure during pregnancy and implementing targeted interventions for high-risk populations to prevent GDM development.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493652","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
Impact of Emission Standards on Fine Particulate Matter Toxicity: A Long-Term Analysis in Los Angeles.
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-18 DOI: 10.3390/toxics13020140
Mohammad Mahdi Badami, Yashar Aghaei, Constantinos Sioutas

This study examines long-term trends in fine particulate matter (PM2.5) composition and oxidative potential in Los Angeles based on data from the University of Southern California's Particle Instrumentation Unit, with chemical composition retrieved from the EPA's Air Quality System (AQS). While regulatory interventions have reduced PM2.5 mass concentration and primary combustion-related components, our findings reveal a more complex toxicity pattern. From 2001 to 2008, the PM2.5 oxidative potential, measured via the dithiothreitol (DTT) assay, declined from ~0.84 to ~0.16 nmol/min/m3 under stringent tailpipe controls. However, after this initial decline, PM2.5 DTT stabilized and gradually increased from ~0.35 in 2012 to ~0.97 nmol/min/m3 by 2024, reflecting the growing influence of non-tailpipe emissions such as brake/tire wear. Metals, such as iron (Fe, ~150 ng/m3) and zinc (Zn, ~10 ng/m3), remained relatively stable as organic and elemental carbon (OC and EC) declined, resulting in non-tailpipe contributions dominating PM2.5 toxicity. Although PM2.5 mass concentrations were effectively reduced, the growing contribution of non-tailpipe emissions (e.g., brake/tire wear and secondary organic aerosols) underscores the limitations of mass-based standards and tailpipe-focused strategies. Our findings emphasize the need to broaden regulatory strategies, targeting emerging sources that shape PM2.5 composition and toxicity and ensuring more improvements in public health outcomes.

本研究根据南加州大学粒子仪器部门提供的数据,以及从美国环保署空气质量系统(AQS)中获取的化学成分,研究了洛杉矶细颗粒物(PM2.5)成分和氧化潜能的长期趋势。虽然监管干预措施降低了 PM2.5 的质量浓度和与燃烧相关的主要成分,但我们的研究结果揭示了一种更为复杂的毒性模式。从 2001 年到 2008 年,在严格的尾气控制措施下,通过二硫苏糖醇(DTT)测定法测量的 PM2.5 氧化潜能值从约 0.84 nmol/min/m3 下降到约 0.16 nmol/min/m3。然而,在最初的下降之后,PM2.5 的 DTT 趋于稳定,并从 2012 年的 ~0.35 逐步上升到 2024 年的 ~0.97 nmol/min/m3,这反映了制动/轮胎磨损等非尾气排放的影响越来越大。铁(Fe,约 150 纳克/立方米)和锌(Zn,约 10 纳克/立方米)等金属保持相对稳定,而有机碳和元素碳(OC 和 EC)则有所下降,这导致非尾气排放在 PM2.5 毒性中占主导地位。虽然 PM2.5 的质量浓度得到了有效降低,但非尾气排放(如制动/轮胎磨损和二次有机气溶胶)的贡献越来越大,这凸显了基于质量的标准和以尾气为重点的策略的局限性。我们的研究结果强调,有必要拓宽监管策略,针对影响 PM2.5 成分和毒性的新兴来源,确保公共卫生成果得到更多改善。
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引用次数: 0
Ambient Air Pollution and Parkinson's Disease and Alzheimer's Disease: An Updated Meta-Analysis. 环境空气污染与帕金森病和阿尔茨海默病:最新的 Meta 分析。
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-15 DOI: 10.3390/toxics13020139
Cuiyao Xie, Xi Xia, Kai Wang, Jie Yan, Lijun Bai, Liqiong Guo, Xiaoxue Li, Shaowei Wu

Background: Previous epidemiological evidence regarding the associations between ambient air pollution and two major neurodegenerative diseases, Alzheimer's disease (AD) and Parkinson's disease (PD), remains inconclusive.

Objective: This study aimed to evaluate the associations between long-term and short-term exposure to PM2.5 and PM10 (i.e., particulate matter with an aerodynamic diameter of, or smaller than, 2.5 μm or 10 μm), nitrogen dioxide (NO2), ozone, sulfur dioxide, and carbon monoxide and the risks of AD and PD.

Methods: A random-effects model was used to summarize individual effect estimates in the meta-analysis. A subgroup meta-analysis was further conducted to explore the potential sources of heterogeneity.

Results: In total, 42 eligible studies were included. For each 5 μg/m3 increase in long-term PM2.5 exposure, the odds ratios (ORs) were 1.16 (95% CI: 1.04, 1.30; I2 = 95%) and 1.10 (95% CI: 1.03, 1.17; I2 = 95%) for AD and PD, respectively. For each 5 μg/m3 increase in short-term PM2.5 exposure, the OR was 1.01 (95% CI: 1.002, 1.01; I2 = 77%) for PD. For each 1 ppb increase in long-term NO2 exposure, the OR was 1.01 (95% CI: 1.0002, 1.02; I2 = 79%) for PD.

Conclusion: Ambient air pollution, particularly PM2.5, may contribute to the increased risks of neurodegenerative diseases including AD and PD.

背景:以往的流行病学证据表明,环境空气污染与阿尔茨海默病(AD)和帕金森病(PD)这两种主要的神经退行性疾病之间存在关联,但目前仍无定论:本研究旨在评估长期和短期暴露于 PM2.5 和 PM10(即空气动力直径大于或小于 2.5 μm 或 10 μm 的颗粒物)、二氧化氮(NO2)、臭氧、二氧化硫和一氧化碳与阿尔茨海默病和帕金森病风险之间的关系:方法: 在荟萃分析中采用随机效应模型总结个体效应估计值。结果:共纳入了42项符合条件的研究:共纳入了 42 项符合条件的研究。PM2.5长期暴露量每增加5微克/立方米,AD和PD的几率比(ORs)分别为1.16(95% CI:1.04,1.30;I2 = 95%)和1.10(95% CI:1.03,1.17;I2 = 95%)。PM2.5短期暴露量每增加5微克/立方米,PD的OR值为1.01(95% CI:1.002,1.01;I2 = 77%)。二氧化氮长期暴露量每增加 1 ppb,PD 的 OR 值为 1.01(95% CI:1.0002,1.02;I2 = 79%):结论:环境空气污染,尤其是 PM2.5,可能会导致包括注意力缺失症和注意力缺失症在内的神经退行性疾病的风险增加。
{"title":"Ambient Air Pollution and Parkinson's Disease and Alzheimer's Disease: An Updated Meta-Analysis.","authors":"Cuiyao Xie, Xi Xia, Kai Wang, Jie Yan, Lijun Bai, Liqiong Guo, Xiaoxue Li, Shaowei Wu","doi":"10.3390/toxics13020139","DOIUrl":"https://doi.org/10.3390/toxics13020139","url":null,"abstract":"<p><strong>Background: </strong>Previous epidemiological evidence regarding the associations between ambient air pollution and two major neurodegenerative diseases, Alzheimer's disease (AD) and Parkinson's disease (PD), remains inconclusive.</p><p><strong>Objective: </strong>This study aimed to evaluate the associations between long-term and short-term exposure to PM<sub>2.5</sub> and PM<sub>10</sub> (i.e., particulate matter with an aerodynamic diameter of, or smaller than, 2.5 μm or 10 μm), nitrogen dioxide (NO<sub>2</sub>), ozone, sulfur dioxide, and carbon monoxide and the risks of AD and PD.</p><p><strong>Methods: </strong>A random-effects model was used to summarize individual effect estimates in the meta-analysis. A subgroup meta-analysis was further conducted to explore the potential sources of heterogeneity.</p><p><strong>Results: </strong>In total, 42 eligible studies were included. For each 5 μg/m<sup>3</sup> increase in long-term PM<sub>2.5</sub> exposure, the odds ratios (ORs) were 1.16 (95% CI: 1.04, 1.30; <i>I</i><sup>2</sup> = 95%) and 1.10 (95% CI: 1.03, 1.17; <i>I</i><sup>2</sup> = 95%) for AD and PD, respectively. For each 5 μg/m<sup>3</sup> increase in short-term PM<sub>2.5</sub> exposure, the OR was 1.01 (95% CI: 1.002, 1.01; <i>I</i><sup>2</sup> = 77%) for PD. For each 1 ppb increase in long-term NO<sub>2</sub> exposure, the OR was 1.01 (95% CI: 1.0002, 1.02; <i>I</i><sup>2</sup> = 79%) for PD.</p><p><strong>Conclusion: </strong>Ambient air pollution, particularly PM<sub>2.5</sub>, may contribute to the increased risks of neurodegenerative diseases including AD and PD.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493666","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
Network Pharmacology to Unveil the Mechanism of Berberine in the Treatment of Streptococcus suis Meningitis in Humans and Pigs.
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-15 DOI: 10.3390/toxics13020138
Pu Guo, Yunda Xue, Dan Zhang, Qirong Lu, Yu Liu, Jianglin Xiong, Chun Ye, Shulin Fu, Zhongyuan Wu, Xu Wang, Yinsheng Qiu

Streptococcus suis (S. suis) is a major swine pathogen throughout the world as well as an emerging zoonotic agent. Among the symptoms caused by S. suis, including septicemia, pneumonia, endo-carditis, arthritis, and meningitis, the latter is the most overlooked. In the present study, we explored the mechanism of action of berberine against S. suis meningitis by obtaining berberine-related action targets, porcine S. suis meningitis targets, and human S. suis meningitis targets from open databases. We constructed a protein-protein interaction (PPI) network by using the STRING database and employed Cytoscape 3.8.0 to screen for core targets. We performed Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses through DAVID. We identified 31 potential targets of berberine, of which Toll-like receptor 4 (TLR4), fibronectin 1 (FN1), superoxide dismutase (SOD1), and catalase (CAT) were the four most critical targets. GO analysis revealed the enrichment of terms related to the response to oxidative stress and the inflammatory response. KEGG analysis revealed the enrichment of the interleukin 17 (IL-17), phosphoinositide 3-kinase (PI3K)-Akt, TLR, tumor necrosis factor (TNF), and mitogen-activated protein kinase (MAPK) signaling pathways. In addition, the admetSAR results showed that berberine can cross the blood-brain barrier. The molecular docking results indicated key binding activity between TLR4-berberine and FN1-berberine. In summary, berberine protects against Streptococcus suis meningitis by regulating inflammatory response and oxidative stress in humans and pigs. Our study updates the current knowledge of the targets of S. suis meningitis to exploit new drugs in humans and pigs, to develop environmentally friendly and antibiotic-free animal-derived food products, and to improve the farming industry and economic development.

{"title":"Network Pharmacology to Unveil the Mechanism of Berberine in the Treatment of <i>Streptococcus suis</i> Meningitis in Humans and Pigs.","authors":"Pu Guo, Yunda Xue, Dan Zhang, Qirong Lu, Yu Liu, Jianglin Xiong, Chun Ye, Shulin Fu, Zhongyuan Wu, Xu Wang, Yinsheng Qiu","doi":"10.3390/toxics13020138","DOIUrl":"https://doi.org/10.3390/toxics13020138","url":null,"abstract":"<p><p><i>Streptococcus suis</i> (<i>S. suis</i>) is a major swine pathogen throughout the world as well as an emerging zoonotic agent. Among the symptoms caused by <i>S. suis</i>, including septicemia, pneumonia, endo-carditis, arthritis, and meningitis, the latter is the most overlooked. In the present study, we explored the mechanism of action of berberine against <i>S. suis</i> meningitis by obtaining berberine-related action targets, porcine <i>S. suis</i> meningitis targets, and human <i>S. suis</i> meningitis targets from open databases. We constructed a protein-protein interaction (PPI) network by using the STRING database and employed Cytoscape 3.8.0 to screen for core targets. We performed Gene Ontology (GO) and Kyoto Encyclopedia of Genes and Genomes (KEGG) enrichment analyses through DAVID. We identified 31 potential targets of berberine, of which Toll-like receptor 4 (TLR4), fibronectin 1 (FN1), superoxide dismutase (SOD1), and catalase (CAT) were the four most critical targets. GO analysis revealed the enrichment of terms related to the response to oxidative stress and the inflammatory response. KEGG analysis revealed the enrichment of the interleukin 17 (IL-17), phosphoinositide 3-kinase (PI3K)-Akt, TLR, tumor necrosis factor (TNF), and mitogen-activated protein kinase (MAPK) signaling pathways. In addition, the admetSAR results showed that berberine can cross the blood-brain barrier. The molecular docking results indicated key binding activity between TLR4-berberine and FN1-berberine. In summary, berberine protects against <i>Streptococcus suis</i> meningitis by regulating inflammatory response and oxidative stress in humans and pigs. Our study updates the current knowledge of the targets of <i>S. suis</i> meningitis to exploit new drugs in humans and pigs, to develop environmentally friendly and antibiotic-free animal-derived food products, and to improve the farming industry and economic development.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493712","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
Toxicity Evaluation of Sulfobetainized Branched Polyethyleneimine via Antibacterial and Biocompatibility Assays. 通过抗菌和生物相容性试验评估磺基乙叉化支链聚乙烯亚胺的毒性。
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-14 DOI: 10.3390/toxics13020136
Mehtap Sahiner, Selin S Suner, Sahin Demirci, Ramesh S Ayyala, Nurettin Sahiner

Branched polyethyleneimine (PEI), possessing different types of amines-e.g., primary, secondary, and tertiary-in the polymer chains are well known for their antibacterial properties and DNA condensing ability, affording substantial advantages in many biomedical uses, including gene therapy. However, because of PEI's toxicity, depending on the molecular weight, its widespread biomedical use is hindered. Therefore, in this study, PEIs with different molecular weights-i.e., 600, 1200, and 1800 g/mol-were modified with 1,3-propane sultone, undergoing a sulfobetainization reaction in a single step to attain a zwitterionic structure: sulfobetainized PEI (b-PEI). The sulfobetainization reaction was carried out twice to increase the zwitterionic repeating unit on PEI chains. The increasing number of SO3- groups on the PEI chains was confirmed by the increased peak intensities around 1160 and 1035 cm-1 on the FT-IR spectrum, which are assigned to symmetric and asymmetric S=O peaks. The elemental analysis results for first- and second- betainization PEIs, abbreviated as b1-PEI and b2-PEI, respectively, were revealedthe increased wt% of S confirming the successful multiple-sulfobetainization of the PEI chains. Thermal stability analyses of PEIs and their corresponding multiple-sulfobetainized forms showed that multiple-sulfobetainization reactions increased the thermal stability of bare PEI chains. PEIs with lower molecular weights exhibited more antimicrobial properties. As PEI is sulfobetainated, its antimicrobial properties can be further adjusted via sulfobetainization (once or twice), or by adjusting the corresponding solution pH, or by protonating them with different acids with different counter anions. The cell toxicity of PEI on L929 fibroblast cells was slightly increased by increasing the molecular weight of the PEI, but all forms of sulfobetainized PEIs were found to be safe (no toxicity), even at 1000 µg/mL concentrations.

{"title":"Toxicity Evaluation of Sulfobetainized Branched Polyethyleneimine via Antibacterial and Biocompatibility Assays.","authors":"Mehtap Sahiner, Selin S Suner, Sahin Demirci, Ramesh S Ayyala, Nurettin Sahiner","doi":"10.3390/toxics13020136","DOIUrl":"https://doi.org/10.3390/toxics13020136","url":null,"abstract":"<p><p>Branched polyethyleneimine (PEI), possessing different types of amines-e.g., primary, secondary, and tertiary-in the polymer chains are well known for their antibacterial properties and DNA condensing ability, affording substantial advantages in many biomedical uses, including gene therapy. However, because of PEI's toxicity, depending on the molecular weight, its widespread biomedical use is hindered. Therefore, in this study, PEIs with different molecular weights-i.e., 600, 1200, and 1800 g/mol-were modified with 1,3-propane sultone, undergoing a sulfobetainization reaction in a single step to attain a zwitterionic structure: sulfobetainized PEI (b-PEI). The sulfobetainization reaction was carried out twice to increase the zwitterionic repeating unit on PEI chains. The increasing number of SO<sub>3</sub><sup>-</sup> groups on the PEI chains was confirmed by the increased peak intensities around 1160 and 1035 cm<sup>-1</sup> on the FT-IR spectrum, which are assigned to symmetric and asymmetric S=O peaks. The elemental analysis results for first- and second- betainization PEIs, abbreviated as b<sup>1</sup>-PEI and b<sup>2</sup>-PEI, respectively, were revealedthe increased wt% of S confirming the successful multiple-sulfobetainization of the PEI chains. Thermal stability analyses of PEIs and their corresponding multiple-sulfobetainized forms showed that multiple-sulfobetainization reactions increased the thermal stability of bare PEI chains. PEIs with lower molecular weights exhibited more antimicrobial properties. As PEI is sulfobetainated, its antimicrobial properties can be further adjusted via sulfobetainization (once or twice), or by adjusting the corresponding solution pH, or by protonating them with different acids with different counter anions. The cell toxicity of PEI on L929 fibroblast cells was slightly increased by increasing the molecular weight of the PEI, but all forms of sulfobetainized PEIs were found to be safe (no toxicity), even at 1000 µg/mL concentrations.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493704","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
Disentangling Multiannual Air Quality Profiles Aided by Self-Organizing Map and Positive Matrix Factorization.
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-14 DOI: 10.3390/toxics13020137
Stefano Fornasaro, Aleksander Astel, Pierluigi Barbieri, Sabina Licen

The evaluation of air pollution is a critical concern due to its potential severe impacts on human health. Currently, vast quantities of data are collected at high frequencies, and researchers must navigate multiannual, multisite datasets trying to identify possible pollutant sources while addressing the presence of noise and sparse missing data. To address this challenge, multivariate data analysis is widely used with an increasing interest in neural networks and deep learning networks along with well-established chemometrics methods and receptor models. Here, we report a combined approach involving the Self-Organizing Map (SOM) algorithm, Hierarchical Clustering Analysis (HCA), and Positive Matrix Factorization (PMF) to disentangle multiannual, multisite data in a single elaboration without previously separating the sites and years. The approach proved to be valid, allowing us to detect the site peculiarities in terms of pollutant sources, the variation in pollutant profiles during years and the outliers, affording a reliable interpretation.

{"title":"Disentangling Multiannual Air Quality Profiles Aided by Self-Organizing Map and Positive Matrix Factorization.","authors":"Stefano Fornasaro, Aleksander Astel, Pierluigi Barbieri, Sabina Licen","doi":"10.3390/toxics13020137","DOIUrl":"https://doi.org/10.3390/toxics13020137","url":null,"abstract":"<p><p>The evaluation of air pollution is a critical concern due to its potential severe impacts on human health. Currently, vast quantities of data are collected at high frequencies, and researchers must navigate multiannual, multisite datasets trying to identify possible pollutant sources while addressing the presence of noise and sparse missing data. To address this challenge, multivariate data analysis is widely used with an increasing interest in neural networks and deep learning networks along with well-established chemometrics methods and receptor models. Here, we report a combined approach involving the Self-Organizing Map (SOM) algorithm, Hierarchical Clustering Analysis (HCA), and Positive Matrix Factorization (PMF) to disentangle multiannual, multisite data in a single elaboration without previously separating the sites and years. The approach proved to be valid, allowing us to detect the site peculiarities in terms of pollutant sources, the variation in pollutant profiles during years and the outliers, affording a reliable interpretation.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493558","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
Prevalent Per- and Polyfluoroalkyl Substances (PFASs) Pollution in Freshwater Basins in China: A Short Review.
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-13 DOI: 10.3390/toxics13020135
Jingjing Zhang, Jiaoqin Liu, Riya Jin, Yina Qiao, Jipeng Mao, Zunyao Wang

Organic pollutants like per- and polyfluoroalkyl substances (PFASs) exhibit persistence, bioaccumulation, resistance to degradation, and high toxicity, garnering significant attention from scholars worldwide. To better address and mitigate the environmental risks posed by PFASs, this paper employs bibliometric analysis to examine the literature on PFASs' concentrations collected in the Web of Science (WoS) database between 2019 and 2024. The results show that the overall trend of PFASs' pollution research is relatively stable and increasing. In addition, this study also summarizes the pollution status of traditional PFASs across different environmental media in typical freshwater basins. It analyzes PFASs' concentrations in surface water, sediment, and aquatic organisms, elucidating their distribution characteristics and potential sources. While perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) levels in water environments are declining annually, short-chain PFASs and their substitutes are emerging as primary pollutants. Short-chain PFASs are frequently detected in surface water, whereas long-chain PFASs tend to accumulate in sediments. In aquatic organisms, PFASs are more likely to concentrate in protein-rich organs and tissues. The environmental presence of PFASs is largely influenced by human activities, such as metal plating, fluoride industry development, and industrial wastewater discharge. Currently, the development of PFASs in China faces a complex dilemma, entangled by policy and legal constraints, industrial production demands, the production and use of new alternatives, and their regulation and restriction, creating a vicious cycle. Breaking this deadlock necessitates continuous and active scientific research on PFASs, particularly PFOS, with an emphasis on detailed investigations of environmental sources and sinks. Furthermore, ecological and health risk assessments were conducted using Risk Quotient (RQ) and Hazard Quotient (HQ) methods. Comprehensive comparison indicates that PFASs (such as PFOA) in the majority of freshwater basins are at a low-risk level (RQ < 0.1 or HQ < 0.2), PFOS in some freshwater basins is at a medium-risk level (0.1 < RQ < 1), and no freshwater basin is at a high-risk level. The adsorption and removal approaches of PFASs were also analyzed, revealing that the combination of multiple treatment technologies as a novel integrated treatment technology holds excellent prospects for the removal of PFASs.

{"title":"Prevalent Per- and Polyfluoroalkyl Substances (PFASs) Pollution in Freshwater Basins in China: A Short Review.","authors":"Jingjing Zhang, Jiaoqin Liu, Riya Jin, Yina Qiao, Jipeng Mao, Zunyao Wang","doi":"10.3390/toxics13020135","DOIUrl":"https://doi.org/10.3390/toxics13020135","url":null,"abstract":"<p><p>Organic pollutants like per- and polyfluoroalkyl substances (PFASs) exhibit persistence, bioaccumulation, resistance to degradation, and high toxicity, garnering significant attention from scholars worldwide. To better address and mitigate the environmental risks posed by PFASs, this paper employs bibliometric analysis to examine the literature on PFASs' concentrations collected in the Web of Science (WoS) database between 2019 and 2024. The results show that the overall trend of PFASs' pollution research is relatively stable and increasing. In addition, this study also summarizes the pollution status of traditional PFASs across different environmental media in typical freshwater basins. It analyzes PFASs' concentrations in surface water, sediment, and aquatic organisms, elucidating their distribution characteristics and potential sources. While perfluorooctanoic acid (PFOA) and perfluorooctane sulfonic acid (PFOS) levels in water environments are declining annually, short-chain PFASs and their substitutes are emerging as primary pollutants. Short-chain PFASs are frequently detected in surface water, whereas long-chain PFASs tend to accumulate in sediments. In aquatic organisms, PFASs are more likely to concentrate in protein-rich organs and tissues. The environmental presence of PFASs is largely influenced by human activities, such as metal plating, fluoride industry development, and industrial wastewater discharge. Currently, the development of PFASs in China faces a complex dilemma, entangled by policy and legal constraints, industrial production demands, the production and use of new alternatives, and their regulation and restriction, creating a vicious cycle. Breaking this deadlock necessitates continuous and active scientific research on PFASs, particularly PFOS, with an emphasis on detailed investigations of environmental sources and sinks. Furthermore, ecological and health risk assessments were conducted using Risk Quotient (RQ) and Hazard Quotient (HQ) methods. Comprehensive comparison indicates that PFASs (such as PFOA) in the majority of freshwater basins are at a low-risk level (RQ < 0.1 or HQ < 0.2), PFOS in some freshwater basins is at a medium-risk level (0.1 < RQ < 1), and no freshwater basin is at a high-risk level. The adsorption and removal approaches of PFASs were also analyzed, revealing that the combination of multiple treatment technologies as a novel integrated treatment technology holds excellent prospects for the removal of PFASs.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493728","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
Evaluation of Passive Silicone Samplers Compared to Active Sampling Methods for Polycyclic Aromatic Hydrocarbons During Fire Training.
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-12 DOI: 10.3390/toxics13020132
Paro Sen, Miriam Calkins, Keith Stakes, Danielle L Neumann, I-Chen Chen, Gavin P Horn

Firefighters are occupationally exposed to many chemicals, including polycyclic aromatic hydrocarbons (PAHs), which are formed by the incomplete combustion of organic matter during fire response and training activities. However, due to the harsh environments in which firefighters work, as well as consideration for time and physical safety while wearing bulky equipment, traditional active sampling methods may not be feasible to measure PAH exposures. Silicone passive samplers offer an alternative approach to assess exposure during fire responses and live fire training due to their heat resistance and ease of deployment in remote or time-limited environments. In this study, the primary objective was to investigate and determine the statistical strength of the relationship between active air sampling methods and passive silicone samplers for PAHs. In this study, silicone wristbands were paired with active sampling devices in a series of burn experiments to compare PAH measurements. Silicone-based measurements correlated strongly with active air samples for the dominant PAHs found, naphthalene and phenanthrene; however, detection was limited in the wristbands when air concentrations were low in active samples. In situations where PAH levels are expected to be high and the potential for contaminant loss via off-gassing is low, silicone samplers may be a useful tool for industrial hygienists to measure PAHs in fire and other emergency responses in extreme environments.

{"title":"Evaluation of Passive Silicone Samplers Compared to Active Sampling Methods for Polycyclic Aromatic Hydrocarbons During Fire Training.","authors":"Paro Sen, Miriam Calkins, Keith Stakes, Danielle L Neumann, I-Chen Chen, Gavin P Horn","doi":"10.3390/toxics13020132","DOIUrl":"https://doi.org/10.3390/toxics13020132","url":null,"abstract":"<p><p>Firefighters are occupationally exposed to many chemicals, including polycyclic aromatic hydrocarbons (PAHs), which are formed by the incomplete combustion of organic matter during fire response and training activities. However, due to the harsh environments in which firefighters work, as well as consideration for time and physical safety while wearing bulky equipment, traditional active sampling methods may not be feasible to measure PAH exposures. Silicone passive samplers offer an alternative approach to assess exposure during fire responses and live fire training due to their heat resistance and ease of deployment in remote or time-limited environments. In this study, the primary objective was to investigate and determine the statistical strength of the relationship between active air sampling methods and passive silicone samplers for PAHs. In this study, silicone wristbands were paired with active sampling devices in a series of burn experiments to compare PAH measurements. Silicone-based measurements correlated strongly with active air samples for the dominant PAHs found, naphthalene and phenanthrene; however, detection was limited in the wristbands when air concentrations were low in active samples. In situations where PAH levels are expected to be high and the potential for contaminant loss via off-gassing is low, silicone samplers may be a useful tool for industrial hygienists to measure PAHs in fire and other emergency responses in extreme environments.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493696","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
Non-Invasive Matrices for the Human Biomonitoring of PFAS: An Updated Review of the Scientific Literature. 用于全氟辛烷磺酸人体生物监测的非侵入性基质:最新科学文献综述。
IF 3.9 3区 环境科学与生态学 Q2 ENVIRONMENTAL SCIENCES Pub Date : 2025-02-12 DOI: 10.3390/toxics13020134
Martí Nadal, José L Domingo

Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals widely used in consumer and industrial products due to their unique physicochemical properties. However, their persistence and bioaccumulative potential pose significant environmental and human health risks. This review focuses on the use of non-invasive matrices-urine, hair, and nails-for the human biomonitoring of PFAS, highlighting key findings from scientific studies. While urine offers a non-invasive and practical option, its limited sensitivity for long-chain PFAS requires further analytical advances. Hair and nails have demonstrated potential for use in biomonitoring, with higher detection frequencies and concentrations for certain PFAS compared to urine. The variability in PFAS levels across studies reflects differences in population characteristics, exposure sources, and geographic regions. This review emphasizes the need for standardized analytical methods, expanded population studies, and the use of complementary matrices to enhance the accuracy and reliability of PFAS exposure assessment.

{"title":"Non-Invasive Matrices for the Human Biomonitoring of PFAS: An Updated Review of the Scientific Literature.","authors":"Martí Nadal, José L Domingo","doi":"10.3390/toxics13020134","DOIUrl":"https://doi.org/10.3390/toxics13020134","url":null,"abstract":"<p><p>Per- and polyfluoroalkyl substances (PFAS) are synthetic chemicals widely used in consumer and industrial products due to their unique physicochemical properties. However, their persistence and bioaccumulative potential pose significant environmental and human health risks. This review focuses on the use of non-invasive matrices-urine, hair, and nails-for the human biomonitoring of PFAS, highlighting key findings from scientific studies. While urine offers a non-invasive and practical option, its limited sensitivity for long-chain PFAS requires further analytical advances. Hair and nails have demonstrated potential for use in biomonitoring, with higher detection frequencies and concentrations for certain PFAS compared to urine. The variability in PFAS levels across studies reflects differences in population characteristics, exposure sources, and geographic regions. This review emphasizes the need for standardized analytical methods, expanded population studies, and the use of complementary matrices to enhance the accuracy and reliability of PFAS exposure assessment.</p>","PeriodicalId":23195,"journal":{"name":"Toxics","volume":"13 2","pages":""},"PeriodicalIF":3.9,"publicationDate":"2025-02-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493719","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
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Toxics
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