Chemosphere最新文献_第4页

PFAS (per- and polyfluorinated alkyl substances) as EDCs (endocrine-disrupting chemicals) - Identification of compounds with high potential to bind to selected terpenoids NHRs (nuclear hormone receptors). 作为内分泌干扰化学品的PFAS（全氟和多氟烷基物质）。与选定的萜类化合物nhr（核激素受体）结合的高潜力化合物的鉴定

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-20 DOI: 10.1016/j.chemosphere.2024.143967

Natalia Bulawska, Anita Sosnowska, Dominika Kowalska, Maciej Stępnik, Tomasz Puzyn

{"title":"PFAS (per- and polyfluorinated alkyl substances) as EDCs (endocrine-disrupting chemicals) - Identification of compounds with high potential to bind to selected terpenoids NHRs (nuclear hormone receptors).","authors":"Natalia Bulawska, Anita Sosnowska, Dominika Kowalska, Maciej Stępnik, Tomasz Puzyn","doi":"10.1016/j.chemosphere.2024.143967","DOIUrl":"10.1016/j.chemosphere.2024.143967","url":null,"abstract":"The objective of the subsequent study was to examine the probability of PFAS (per- and polyfluorinated alkyl substances) binding to various NHRs (nuclear hormone receptors) and to identify their structural features that contribute most to the binding score (BS). We evaluated the BS for PFAS in relation to 7 selected NHRs - 4 with additional antagonist forms (Retinoid X receptor alpha - RXRα, Liver X receptor alpha - LXRα, Liver X receptor beta - LXRβ, Estrogen receptor alpha - ERα, Estrogen receptor alpha antagonist - anti-ERα, Estrogen receptor beta - ERβ, Estrogen receptor beta antagonist - anti-ERβ, Glucocorticoid receptor - GR, Glucocorticoid receptor antagonist - anti-GR, Androgen receptor - AR, Androgen receptor antagonist - anti-AR). We based our study on the results of molecular docking, which we used to develop MLR-QSAR (Multiple Linear Regression - Quantitative Structure-Activity Relationship) models. The models we developed allowed us to predict the BS for an extensive set of PFAS compounds from the NORMAN database (more than 4000) - virtual screening. The probability of PFAS binding to selected receptors was determined by structural features such as particle size, branching, and fluorine content. These variables were also identified in the literature reports of experimental studies as the most important for this group of compounds. The research focused on receptors from the terpenoid group. The RXRα, LXRα and β, GR, and anti-GR receptors were shown to be the group less likely to be affected by PFAS. Sex hormones such as AR, anti-AR, ERα and ERβ with their antagonist forms are the most affected.","PeriodicalId":93933,"journal":{"name":"Chemosphere","volume":" ","pages":"143967"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857357","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Retraction notice to "Simultaneous determination of hydrochlorothiazide, amlodipine, and telmisartan with spectrophotometric and HPLC green chemistry applications"[Chemosphere 303 (2022) 135074]. 撤回通知。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-28 DOI: 10.1016/j.chemosphere.2024.143828

Gizem Tiris, Mohammad Mehmandoust, Hayam M Lotfy, Nevin Erk, Sang-Woo Joo, Elena-Niculina Dragoi, Yasser Vasseghian

引用次数: 0

Retraction notice to "MXenes based nano-heterojunctions and composites for advanced photocatalytic environmental detoxification and energy conversion: A review" [Chemosphere 291 (2022) 132923]. 基于 MXenes 的纳米超结和复合材料用于先进的光催化环境解毒和能量转换》的撤稿通知：综述" [Chemosphere 291 (2022) 132923]。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-13 DOI: 10.1016/j.chemosphere.2024.143839

Sunil Kumar Sharma, Amit Kumar, Gaurav Sharma, Dai-Viet N Vo, Alberto García-Peñas, Omid Moradi, Mika Sillanpää

引用次数: 0

Emerging threats in Сentral Asia: Comparative characterization of organic and elemental carbon in ambient PM_2.5 in urban cities of Kazakhstan. 中亚新出现的威胁：哈萨克斯坦城市环境PM2.5中有机碳和元素碳的比较特征。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-28 DOI: 10.1016/j.chemosphere.2024.143968

Anara Omarova, Olga P Ibragimova, Madina Tursumbayeva, Bauyrzhan Bukenov, Kazbek Tursun, Ravkat Mukhtarov, Ferhat Karaca, Nassiba Baimatova

{"title":"Emerging threats in Сentral Asia: Comparative characterization of organic and elemental carbon in ambient PM2.5 in urban cities of Kazakhstan.","authors":"Anara Omarova, Olga P Ibragimova, Madina Tursumbayeva, Bauyrzhan Bukenov, Kazbek Tursun, Ravkat Mukhtarov, Ferhat Karaca, Nassiba Baimatova","doi":"10.1016/j.chemosphere.2024.143968","DOIUrl":"10.1016/j.chemosphere.2024.143968","url":null,"abstract":"This study (June 2022-July 2023) investigates the atmospheric concentrations of carbonaceous species, including organic carbon (OC) and elemental carbon (EC), in PM2.5 in two major cities in Kazakhstan. Samples were collected from two sites in Almaty (Seifullin and KazNU) and one in Astana. The results showed that Almaty had significantly higher annual average concentrations of OC (10.8 and 10.5 μg/m3) and EC (1.68 and 1.87 μg/m3) compared to Astana (OC: 7.1 μg/m3, EC: 0.61 μg/m3). Both cities exhibited pronounced seasonal variations, with significantly elevated concentrations (1.5-3.4 times for OC, 2.1-4.8 times for EC) during the heating season compared to the non-heating season. This indicates a significant influence of coal and biomass combustion for heating on carbonaceous aerosol concentrations. Both cities' OC/EC ratios varied widely (2.6-39.4), showing strong positive correlations (0.61-0.94) across all seasons except summer, suggesting a common primary emission source. Primary organic carbon dominated OC levels in winter (71-74%), whereas secondary organic carbon contributed significantly to OC concentrations in summer (43-50%). Higher OC-EC concentrations correlated with lower atmospheric visibility values. The OC-EC contributions to the total light extinction coefficient were estimated to be 15.3-15.9% for Almaty and 12.0% for Astana stations.","PeriodicalId":93933,"journal":{"name":"Chemosphere","volume":" ","pages":"143968"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857329","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Retraction notice to "Microwave-assisted synthesis of Vulcan Carbon supported Palladium-Nickel (PdNi@VC) bimetallic nanoparticles, and investigation of antibacterial and Safranine dye removing effects" [Chemosphere 339 (2023) 139630]. “Vulcan碳负载的钯镍双金属纳米粒子（PdNi@VC）的微波辅助合成及抗菌和Safranine脱色效果的研究”[Chemosphere 339(2023) 139630]。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-28 DOI: 10.1016/j.chemosphere.2024.143869

Fuad Ameen, Rima Nour Elhouda Tiri, Muhammed Bekmezci, Fatemeh Karimi, Nihed Bennini, Fatih Sen

引用次数: 0

Retraction notice to "Modified poly(vinylidene fluoride) nanomembranes for dye removal from water - A review" [Chemosphere 322 (2023) 138152]. 关于“改性聚偏氟乙烯纳米膜去除水中染料——综述”的撤回通知[Chemosphere 322(2023) 138152]。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-28 DOI: 10.1016/j.chemosphere.2024.143867

R Suresh, Saravanan Rajendran, Lalitha Gnanasekaran, Pau Loke Show, Wei-Hsin Chen, Matias Soto-Moscoso

引用次数: 0

Corrigendum to 'Deciphering the toxicity of polyhexamethylene guanidine phosphate in lung carcinogenesis: Mutational profiles and molecular mechanisms' [Chemosphere Volume 368 (2024) 143785]. “破译聚六亚甲基胍磷酸在肺癌发生中的毒性：突变谱和分子机制”的勘误表[Chemosphere卷368(2024)143785]。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-31 DOI: 10.1016/j.chemosphere.2024.144045

Hong Lee, Sang Hoon Jeong, Yong-Wook Baek, Hyejin Lee, Jason K Sa, Ji Yoon Lee, Yu-Seon Lee, Yoon Jeong Nam, Jaeyoung Kim, Jonghoon Kim, Jin Young Choi, Su A Park, Je Hyeong Kim, Yoon Hee Park, Jungyun Lim, Young-Hee Kim, Eun-Kee Park, Cherry Kim, Ju-Han Lee

引用次数: 0

Nationwide monitoring of polychlorinated naphthalenes in soils across South Korea: Spatial distribution, source identification, and health risk assessment. 在韩国全国范围内监测土壤中的多氯化萘：空间分布、来源识别和健康风险评估。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-26 DOI: 10.1016/j.chemosphere.2024.143962

Jin-Woo Jeon, Chul-Su Kim, Ho-Joong Kim, Seung-Man Hwang, Chang-Ho Lee, Sung-Deuk Choi

{"title":"Nationwide monitoring of polychlorinated naphthalenes in soils across South Korea: Spatial distribution, source identification, and health risk assessment.","authors":"Jin-Woo Jeon, Chul-Su Kim, Ho-Joong Kim, Seung-Man Hwang, Chang-Ho Lee, Sung-Deuk Choi","doi":"10.1016/j.chemosphere.2024.143962","DOIUrl":"10.1016/j.chemosphere.2024.143962","url":null,"abstract":"The production and use of polychlorinated naphthalenes (PCNs) were banned several decades ago, but they continue to be detected due to their persistence in surface environments and ongoing emissions from combustion-related sources. This study presents the first nationwide monitoring data for PCNs in soils collected from 61 sites across South Korea. Industrial sites (mean: 127 pg/g, median: 91.4 pg/g) exhibited higher concentrations of Σ63 PCNs than urban (mean: 53.1 pg/g, median: 50.0 pg/g) and suburban (mean: 52.2 pg/g, median: 23.3 pg/g) sites. Tri- and tetra-CNs were the dominant homologues, with CN-14/24 being the most abundant congeners. The majority of PCN contamination at these sites was attributed to combustion sources and historical emissions from Halowax mixtures. Σ63 PCNs and toxic equivalencies (TEQs) were moderately correlated with the number of companies potentially emitting PCNs, industrial electricity usage, and SO2 concentrations, indicating a significant influence of anthropogenic sources on PCN contamination. The 95th percentile cancer risks for both adults and children across all sites were within the acceptable range (<10-6) set by the US EPA. However, the higher risks observed for children underscore the importance of ongoing PCN monitoring. This study provides valuable insights into the spatial distribution and human exposure to PCNs in soils across South Korea. Based on these initial nationwide findings, comprehensive monitoring of PCNs and other dioxin-like compounds in industrial areas is recommended.","PeriodicalId":93933,"journal":{"name":"Chemosphere","volume":" ","pages":"143962"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142848645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Organophosphate flame retardants and their metabolites in paired dog food and urine: Pet exposure through food consumption. 配对狗粮和尿液中的有机磷酸酯阻燃剂及其代谢物：宠物通过食物摄入暴露。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-19 DOI: 10.1016/j.chemosphere.2024.143960

So-Hwi Park, Pil Jun Yun, Youngmin Hong, Ki-Tae Kim, Gyojin Choo

{"title":"Organophosphate flame retardants and their metabolites in paired dog food and urine: Pet exposure through food consumption.","authors":"So-Hwi Park, Pil Jun Yun, Youngmin Hong, Ki-Tae Kim, Gyojin Choo","doi":"10.1016/j.chemosphere.2024.143960","DOIUrl":"10.1016/j.chemosphere.2024.143960","url":null,"abstract":"Companion dogs are exposed to various chemicals. However, our understanding of the sources and pathways of chemical exposure in pets remains limited. In this study, we collected urine samples from 47 dogs and corresponding samples of the food they consumed to analyze the concentrations and dietary exposure to organophosphate flame retardants (OPFRs) and their metabolites (mOPFRs). Triphenyl phosphate (TPHP) and its metabolite, diphenyl phosphate (DHPH), were the predominant compounds detected in dog food and urine samples. The concentration of mOPFRs in urine decreased as body weight increased; however, neither sex nor age significantly influenced mOPFR levels in dog urine. The estimated daily intake of OPFRs (343 ng/kg bw/day) through food consumption (EDIfood) was comparable to the previously reported levels of polycyclic aromatic hydrocarbons (324 ng/kg bw/day) and higher than those of pesticides (214 ng/kg bw/day), parabens (120 ng/kg bw/day), and polychlorinated biphenyls (103 ng/kg bw/day). By calculating the ratio of EDIfood to the cumulative daily intake based on urinary mOPFR concentrations, it was found that dietary sources contributed to 66% of the total TPHP exposure in dogs. This finding was further supported by Spearman's correlation analysis between parent OPFR concentrations in dog food and mOPFR levels in urine (p < 0.01), indicating that dietary intake may be one of the most significant exposure pathways for OPFRs in dogs. To the best of our knowledge, this is the first study to investigate the levels of OPFR exposure in paired dog food and urine samples.","PeriodicalId":93933,"journal":{"name":"Chemosphere","volume":" ","pages":"143960"},"PeriodicalIF":0.0,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142857343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Retraction notice to "Computational simulation associated with biological effects of alkyl organophosphate flame retardants with different carbon chain lengths on Chlorella pyrenoidosa"[Chemosphere 263 (2021) 127997]. 不同碳链长度的有机磷烷基阻燃剂对小球藻（Chlorella pyrenoidosa）生物效应的计算模拟 "的撤稿通知[Chemosphere 263 (2021) 127997]。

Chemosphere Pub Date : 2025-02-01 Epub Date: 2024-12-14 DOI: 10.1016/j.chemosphere.2024.143830

Yuhao Chu, Chaofan Zhang, Shih-Hsin Ho

引用次数: 0