Environment International最新文献

{"title":"Interaction between young fecal transplantation and perfluorobutanesulfonate endocrine disrupting toxicity in aged recipients: An estrobolome perspective","authors":"Baili Sun ,&nbsp;Chenyan Hu ,&nbsp;Jiali Li ,&nbsp;Zixie Yang ,&nbsp;Lianguo Chen","doi":"10.1016/j.envint.2024.109133","DOIUrl":"10.1016/j.envint.2024.109133","url":null,"abstract":"<div><div>Transplanting young feces into the aged was found to effectively counteract the endocrine disrupting effects of perfluorobutanesulfonate (PFBS) pollutant, showing promise in the maintenance of healthy aging. However, the interactive mechanisms between young fecal transplantation and PFBS endocrine disruption during aging remain unclear. In this follow-up study, aged zebrafish were administered young donor feces and then exposed to environmentally relevant concentrations of PFBS (0 and 100 μg/L). Alterations in the holistic estrobolome along gut-liver axis were investigated. The results showed that PFBS singular exposure significantly increased blood estradiol concentration in the aged, inducing an estrogenic activity. Concentrations of other estrogen forms, including estrone and estriol, were also disrupted by PFBS. Interestingly, young fecal transplant effectively mitigated the estrogenic toxicity of PFBS and largely restored estrogen equilibrium. After PFBS exposure, the transcriptions of estrogen metabolic genes were consistently upregulated in aged livers, causing the accumulation of 2-methoxyestradiol-3-methylether metabolite. In contrast, aged livers coexposed to young fecal transplant and PFBS enhanced the glucuronidation process, successfully facilitating the elimination and detoxification of estrogen metabolites. In aged gut, PFBS exposure inhibited β-glucuronidase enzyme activity, implying the suppression of estrogen deconjugation and recycle. However, in the combined group, β-glucuronidase activity was significantly stimulated, thus reestablishing estrobolome dynamics. Overall, current findings provide mechanistic insights into the antagonistic interaction between young fecal transplant and PFBS on reproductive endocrinology. Gut microbiota manipulation appears appealing to maintain healthy aging progression albeit the interruption of environmental xenobiotics.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109133"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594466","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Seasonal succession, host associations, and biochemical roles of aquatic viruses in a eutrophic lake plagued by cyanobacterial blooms","authors":"Ling Yuan ,&nbsp;Pingfeng Yu ,&nbsp;Xinyu Huang ,&nbsp;Ze Zhao ,&nbsp;Linxing Chen ,&nbsp;Feng Ju","doi":"10.1016/j.envint.2024.109125","DOIUrl":"10.1016/j.envint.2024.109125","url":null,"abstract":"<div><div>Viruses are implicated to play key roles as biogeochemical mediators and ecological drivers in freshwater ecosystems. However, the dynamics of viruses and host associations throughout the seasons and during blooming periods in eutrophic freshwater ecosystems remain poorly understood. From the water microbiomes of planktonic biomass from Lake Taihu, a large eutrophic freshwater lake in China that experiences annual <em>Microcystis</em>-dominated harmful algal blooms (HABs), we recovered 41,997 unique viral clusters spanning a wide taxonomic range, including 15,139 <em>Caudovirales</em> clusters targeting bacteria and 1,044 NCLDV clusters targeting eukaryotes. The viral community exhibited clear seasonal succession, driven primarily by microbial communities (particularly Cyanobacteria and Planctomycetes) and environmental factors (mainly nutrients and temperature). Host prediction revealed that viral infection had a more distinct impact on bacteria-driven nitrogen pathways than on phosphate cycling. HAB-induced variations in microbial composition and environmental conditions affected viral strategies including viral lifestyles, host range, and virus-encoded auxiliary metabolic genes (vAMGs) distributions. Viruses infecting Proteobacteria and Actinobacteria showed an enhanced lysogenic lifestyle and a narrower host range during HAB peak in summer, while viruses infecting Bacteroidota adopted an opposite strategy. Notably, vAMGs were most abundant before the HAB outbreak in spring, compensating for bacterial metabolic processes of their hosts such as carbohydrates metabolism, photosynthesis, and phosphate regulation. The findings highlight the intricate relationships between viruses, host microbes, and the bloom-associated environment, underscoring the important biochemical roles viruses play in eutrophic freshwater ecosystems.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109125"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142588486","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Risk-oriented source apportionment and implications for mitigation strategies of VOCs in industrial parks: Insights from odor pollution and health risks","authors":"Ling Li ,&nbsp;Fengwen Wang ,&nbsp;Wei Hu ,&nbsp;Dan Zhang ,&nbsp;Zhenliang Li ,&nbsp;Pingjiang Lv ,&nbsp;Qin Xu ,&nbsp;Rui Yuan ,&nbsp;Yunhuai Zhang ,&nbsp;Yong Zhang ,&nbsp;Hai Guo","doi":"10.1016/j.envint.2024.109137","DOIUrl":"10.1016/j.envint.2024.109137","url":null,"abstract":"<div><div>A typical industrial park in the upper reaches of the Yangtze River Economic Belt, which is 70 km from the Chongqing urban center, was used to investigate the occurrence and exposure of harmful volatile organic compounds (VOCs). An exposure risk method and a risk-oriented source apportionment approach were performed to assess the inhalation risks and apportion VOC sources, respectively. The quantitative relationships between risk factors and pollution sources were established, identifying key pathogenic and odorous VOCs. The quantitative emission reduction strategies were developed based on risk thresholds. Residents within the industrial parks face potential health risks due to pathogenic VOCs and nuisance odors, and workers in specific sectors experience two to six times higher risks than those in residential areas. Six risk sources were identified in the industrial park, ranked according to their contribution to VOC concentrations as follows: industrial sewage treatment (IST) (32.59 %), natural gas chemical industry (NGCI) (27.77 %), diesel vehicle exhaust (DVE) (12.04 %), pharmaceutical manufacturing industry (PMI) (11.14 %), chemical raw materials manufacturing (CRMM) (9.96 %), and iron and steel industry (ISI) (6.5 %). Among these, NGCI, IST, and CRMM were the top contributors to pathogenic risks, with contributions of 32.13 %, 29.71 %, and 21.71 % to non-carcinogenic risks, and 18.15 %, 19.87 %, and 27.99 % to carcinogenic risks, respectively. DVE produced significantly higher odor pollution compared to other sources, with intensities that were 3 to 10 times greater. The key pathogenic and odorous VOCs differ by source, resulting in varying control priorities for different VOC species. Reducing emissions from these six sources for 20 high-risk species (e.g., acrolein, 2-chlorotoluene, 1,2-dibromoethane, dichloromethane, and <em>p</em>-diethylbenzene) will simultaneously lower pathogenic and odor risks, with cumulative reduction rates ranging from 4.11 % to 93.75 %. This study provides quantitative control targets for VOCs from a health risk perspective, offering valuable guidance for developing risk management policies in industrial parks.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109137"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142594463","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Nationwide occurrence and prioritization of tire additives and their transformation products in lake sediments of China","authors":"Li-Jun Zhou ,&nbsp;Shan Liu ,&nbsp;Man Wang ,&nbsp;Nian-Nian Wu ,&nbsp;Ru Xu ,&nbsp;Li-Ni Wei ,&nbsp;Xiang-Rong Xu ,&nbsp;Jian-Liang Zhao ,&nbsp;Peng Xing ,&nbsp;Huabing Li ,&nbsp;Jin Zeng ,&nbsp;Qinglong L. Wu","doi":"10.1016/j.envint.2024.109139","DOIUrl":"10.1016/j.envint.2024.109139","url":null,"abstract":"<div><div>As a group of emerging contaminants of global concern, tire additives and their transformation products (TATPs) are causing a severe threat to aquatic ecosystems, particularly the highly lethal effects of <em>N</em>-(1,3-dimethylbutyl)-<em>N’</em>-phenyl-<em>p</em>-phenylenediamine quinone (6PPD-Q) on certain fish species. Yet, the contamination status of TATPs in the lake ecosystems remains largely uncharacterized. This study conducted the first nationwide monitoring of the distribution characteristics of TATPs in 208 lake sediments collected from five lake regions across China. All the 13 TATPs were identified in lake sediments, with the total levels varying between 1.4 and 1355 ng/g, and 4-hydroxydiphenylamine (4-OH-PPD) as the most dominant. The total levels of TATPs decreased in the following order: Yunnan-Guizhou Plateau &gt; Inner Mongolia-Xinjiang Region, Eastern Plain &gt; Qinghai-Tibet Plateau, and Northeast Plain (<em>p</em> &lt; 0.05). The geographical distribution of TATPs in lake sediments was significantly driven by total organic carbon content, temperature, and population density. <em>N,N’-</em>di-2-naphthyl-<em>p</em>-phenylenediamine, 6PPD-Q, <em>N,N′</em>-diphenyl-<em>p</em>-phenylenediamine, and 4-OH-PPD belonged to high-priority contaminants. Our study emphasizes that emerging pollutant TATPs place significant pressure on lake ecosystems and deserve urgent attention.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109139"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142597830","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Air pollution exposure in vitrified oocyte donors and male recipient partners in relation to fertilization and embryo quality","authors":"Sarah LaPointe ,&nbsp;Jaqueline C Lee ,&nbsp;Zsolt P Nagy ,&nbsp;Daniel B Shapiro ,&nbsp;Howard H Chang ,&nbsp;Yifeng Wang ,&nbsp;Armistead G Russell ,&nbsp;Heather S Hipp ,&nbsp;Audrey J Gaskins","doi":"10.1016/j.envint.2024.109147","DOIUrl":"10.1016/j.envint.2024.109147","url":null,"abstract":"<div><h3>Background</h3><div>Studies on air pollution and outcomes of <em>in vitro</em> fertilization (IVF) have focused on couples undergoing autologous IVF, in which it is challenging to disentangle maternal and paternal exposures during gametogenesis. We sought to evaluate the independent associations between air pollution exposure during oogenesis and spermatogenesis on fertilization and embryo quality in non-identified donor oocyte IVF cycles.</div></div><div><h3>Methods</h3><div>Our study included 500 oocyte donors and 915 male recipient partners who contributed 1,095 oocyte thaw cycles (2008–2019). Daily ambient air pollutant exposure was estimated using spatio-temporal models based on residential address and averaged over folliculogenesis (i.e., three months prior to initiation of controlled ovarian stimulation), controlled ovarian stimulation, and spermatogenesis (i.e., 72 days prior to oocyte thaw). We used multivariable generalized estimating equations to estimate the adjusted odds ratios (aOR) and 95 % confidence intervals (CI) for an interquartile range increase in pollutant exposure in relation to the proportion of oocytes surviving thaw, oocytes fertilized, and usable embryos.</div></div><div><h3>Results</h3><div>Oocyte donors with higher exposure to organic carbon (OC) (aOR = 0.86 95 %CI 0.79,0.94) and particulate matter &lt; 10 µm (aOR = 0.69 95 %CI 0.54,0.90) during folliculogenesis had a lower proportion of oocytes surviving thaw. During ovarian stimulation, higher particulate matter &lt; 2.5 µm (aOR = 0.78 95 %CI 0.66, 0.91), nitrate (aOR = 0.83 95 % CI 0.69,0.99), and OC (aOR = 0.86 95 % CI 0.80,0.93) exposure was associated with a lower proportion of surviving oocytes while nitrogen dioxide (aOR = 1.11 95 %CI 1.00,1.23) and ozone (aOR = 1.19 95 %CI 1.04,1.37) exposure was associated with a higher proportion of fertilized oocytes and usable embryos. Elemental carbon (aOR = 0.93 95 %CI 0.87,1.00) and OC (aOR = 0.95 95 %CI 0.90,1.00) exposure during spermatogenesis was associated with a slightly lower proportion of usable embryos. On the day of oocyte thaw, higher ambient OC at the IVF clinic was associated with lower oocyte survival and higher ozone was associated with lower fertilization.</div></div><div><h3>Conclusions</h3><div>Both maternal and paternal air pollution exposures during gametogenesis have independent, largely detrimental, effects on early embryological outcomes.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109147"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142601552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantitative measures of recent and lifetime agricultural pesticide use are associated with increased pesticide concentrations in house dust","authors":"Shuai Xie ,&nbsp;Jonathan N. Hofmann ,&nbsp;Joshua N. Sampson ,&nbsp;Pabitra R. Josse ,&nbsp;Jessica M. Madrigal ,&nbsp;Vicky C. Chang ,&nbsp;Nicole C. Deziel ,&nbsp;Gabriella Andreotti ,&nbsp;Alexander P. Keil ,&nbsp;Mary H. Ward ,&nbsp;Laura E. Beane Freeman ,&nbsp;Melissa C. Friesen","doi":"10.1016/j.envint.2024.109123","DOIUrl":"10.1016/j.envint.2024.109123","url":null,"abstract":"<div><h3>Objective</h3><div>Elevated pesticide concentrations have been found in dust from homes with residents who use agricultural pesticides, but few studies have compared these concentrations to quantitative measures of their use. We evaluated household pesticide dust concentrations in relation to quantitative, active ingredient-specific metrics of agricultural pesticide use in the Biomarkers of Exposure and Effect in Agriculture Study.</div></div><div><h3>Methods</h3><div>Participants provided vacuum dust samples (2013–2018) and information regarding recent (last 12 months) and lifetime pesticide use. Thirty-two pesticide analytes were measured in 295 dust samples from 213 participants; 54 had repeated measurements (median = 96 days between visits). We used mixed-effects quantile regression models to estimate relative differences in pesticide concentrations for recent and lifetime agricultural use (number of days, intensity-weighted days), recent home/garden use (yes/no), and household characteristics. Only household characteristics were examined for dacthal because of no use information. We calculated intraclass correlation coefficients (ICCs) to evaluate temporal variability. We report only descriptive statistics for pesticides with detection rates &lt;25 %.</div></div><div><h3>Results</h3><div>For currently used pesticides, quantitative measures of recent agricultural use were associated with significantly increased household pesticide dust concentrations for malathion, metolachlor, acetochlor, cyfluthrin, and atrazine (p-trends &lt; 0.001), but not permethrin. Similarly, quantitative measures of lifetime use were associated with increased concentrations of malathion, metolachlor, carbaryl, diazinon, and atrazine (p-trends &lt; 0.001), but not permethrin, chlorpyrifos, or chlorothalonil. For banned pesticides, ever agricultural use was associated with elevated chlordane and heptachlor concentrations and non-significantly elevated dieldrin concentrations, but not lindane, p,p-DDD, p,p-DDE, or p,p-DDT. Recent home/garden use predicted increased malathion, carbaryl, and cyfluthrin concentrations. ICCs (range = 0.57–0.90) suggested moderate to high correlation over 3–6 months. Detection rates were &lt;25 % for alachlor, butylate, EPTC, metribuzin, simazine, carbofuran, coumaphos, as well as for three banned pesticides (cyanazine, aldrin, endosulfan).</div></div><div><h3>Conclusions</h3><div>Household pesticide dust concentrations were strongly associated with the frequency of agricultural pesticide use.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109123"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142589015","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The mode of toxic action of ionic liquids: Narrowing down possibilities using high-throughput, in vitro cell-based bioassays","authors":"Eunhye Bae ,&nbsp;Stephan Beil ,&nbsp;Maria König ,&nbsp;Stefan Stolte ,&nbsp;Beate I. Escher ,&nbsp;Marta Markiewicz","doi":"10.1016/j.envint.2024.109089","DOIUrl":"10.1016/j.envint.2024.109089","url":null,"abstract":"<div><div>Growing concerns about the environmental impact of ionic liquids (ILs) have spurred research into their (eco)toxic effects, but studies on their mode of toxic action (MOA) still remain limited. However, understanding the MOA and identifying structural features responsible for enhanced toxicity is crucial for characterising the hazard and designing safer alternatives. Therefore, 45 ILs, with systematically varied chemical structures, were tested for cytotoxicity and two specific endpoints in reporter gene assays targeting the Nrf2-ARE mediated oxidative stress response (AREc32) and aryl hydrocarbon receptor activation (AhR-CALUX). While none of the ILs activated the reporter genes, cytotoxicity was high and markedly different between cell lines. Seven and 25 ILs proved more cytotoxic than predicted by baseline toxicity model in the AREc32 and the AhR-CALUX assays, respectively. The length of the side chain and headgroup structures of ILs altered the MOA of ILs. Cellular metabolism of the ILs, investigated by LC-MS/MS, showed side-chain oxidation of the long-chain quaternary ammonium compounds in AhR-CALUX cells and, to a lower extent, in AREc32 cells, however, this transformation could not explain the high cytotoxicity. Effect data for 72 ILs for ten endpoints retrieved from the Tox21 database identified the inhibition of aromatase activity and of mitochondrial membrane potential as potential MOAs. However, <em>in vitro</em> fluorimetric assays for these endpoints demonstrated that effects were activated in a non-specific manner, probably through cytotoxicity. Although many of the ILs tested induced cytotoxicity at concentrations lower than baseline toxicity, the specific MOAs responsible could not be identified. Alternatively, we suggest that the descriptors currently used may fail to define the affinity of ILs for cells. Testing of the affinity of ILs for a diverse range of biomolecules is needed to accurately describe their interactions with cells.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109089"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142451589","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Occurrence of bisphenol A analogues in the aquatic environment and their behaviors and toxicity effects in plants","authors":"Jiefeng Liang ,&nbsp;Chuanjie Li ,&nbsp;Yao Dang ,&nbsp;Xiaoxia Feng ,&nbsp;Xiaomeng Ji ,&nbsp;Xiaoyun Liu ,&nbsp;Xingchen Zhao ,&nbsp;Qingzhe Zhang ,&nbsp;Zhihua Ren ,&nbsp;Yingjun Wang ,&nbsp;Yiling Li ,&nbsp;Gunagbo Qu ,&nbsp;Runzeng Liu","doi":"10.1016/j.envint.2024.109105","DOIUrl":"10.1016/j.envint.2024.109105","url":null,"abstract":"<div><div>Continuous technological and economic development has led to the extensive use of bisphenol A analogues (BPs) in products, leading to their release to aquatic environments and posing threats to aquatic plants. However, few papers have systemically reviewed the interactions between BPs and aquatic plants. This review comprehensively summarizes the properties, occurrence, fate, and hazardous influences of BPs on aquatic plants. BPs have been widely detected in the global aquatic environment, with concentrations generally ranging from a lower range of ng/L or ng/g to an upper range of μg/L or μg/g in surface water, groundwater, seawater, and sediments. Aquatic plants effectively uptake and translocate BPs, and metabolize them into new compounds. Meanwhile, BPs exposures have diverse toxic effects on the growth, photosynthesis, antioxidant, phytohormones, and structural integrity of aquatic plants. High-throughput omics assays provide significant evidence showing how BPs disturb gene transcription, proteins, and metabolism in plants. This review highlights the need for increased attention on the effects of emerging BPA alternatives, joint treatment, long-term exposure with environmental relevant doses, and potential hazards posed by ingesting polluted plants.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109105"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142520008","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Elucidating impacts of partitioning and transmembrane permeability on absorption of chemicals in human gastrointestinal tract","authors":"Shenghong Wang,&nbsp;Zhizhen Zhang,&nbsp;Dingsheng Li,&nbsp;Li Li","doi":"10.1016/j.envint.2024.109108","DOIUrl":"10.1016/j.envint.2024.109108","url":null,"abstract":"<div><div>Estimating the fraction absorbed (<em>F</em>_abs) of orally ingested chemicals in the human gastrointestinal tract is pivotal for assessing chemical concentrations in the systemic circulation and informing potential toxicological impacts, especially in the era of “new approach methods” targeting chemical screening and prioritization. Here, we present an input-parsimonious and computationally efficient approach to support the screening-level estimation of <em>F</em>_abs from partitioning (characterized using the octanol–water partition coefficient at pH 7.4, <em>K</em>_OW) and transmembrane permeability (characterized using the Caco-2 apparent permeability, <em>P</em>_app,Caco-2), based on a mechanistic description of processes involved in chemical absorption:</div><div><span><math><mrow><msub><mi>F</mi><mrow><mi>a</mi><mi>b</mi><mi>s</mi></mrow></msub><mo>=</mo><mn>1</mn><mo>-</mo><msup><mrow><mi>e</mi></mrow><mfrac><mrow><mo>-</mo><mn>16457</mn></mrow><mrow><mfenced><mrow><mfenced><mrow><mn>1</mn><mo>-</mo><mn>2.40</mn><mo>×</mo><msup><mrow><mn>10</mn></mrow><mrow><mo>-</mo><mn>9</mn></mrow></msup></mrow></mfenced><mo>+</mo><mn>2.40</mn><mo>×</mo><msup><mrow><mn>10</mn></mrow><mrow><mo>-</mo><mn>9</mn></mrow></msup><mo>∙</mo><msub><mi>K</mi><mrow><mi>O</mi><mi>W</mi></mrow></msub></mrow></mfenced><mo>∙</mo><mfenced><mrow><mfrac><mn>1</mn><mrow><mn>0.0075</mn></mrow></mfrac><mo>∙</mo><msup><mrow><mfenced><mrow><mfrac><mn>1</mn><msub><mi>P</mi><mrow><mi>a</mi><mi>p</mi><mi>p</mi><mo>,</mo><mi>C</mi><mi>a</mi><mi>c</mi><mi>o</mi><mo>-</mo><mn>2</mn></mrow></msub></mfrac><mo>-</mo><mfrac><mn>1</mn><mrow><mn>0.00153</mn></mrow></mfrac></mrow></mfenced></mrow><mrow><mn>0.346</mn></mrow></msup><mo>+</mo><mfrac><mn>1</mn><mrow><mn>0.00115</mn></mrow></mfrac></mrow></mfenced></mrow></mfrac></msup></mrow></math></span></div><div>Our approach demonstrates satisfactory performance in predicting <em>F</em>_abs for 176 hydrophobic and hydrophilic organic chemicals, with a Pearson correlation coefficient greater than 0.75 and a root mean square error of approximately 15 % in absolute <em>F</em>_abs values between experimental measurements and predictions. Our results show that the <em>F</em>_abs of highly hydrophobic chemicals (<em>K</em>_OW &gt; 10⁸) are closely dependent on partitioning, whereas the <em>F</em>_abs of relatively hydrophilic chemicals (<em>K</em>_OW &lt; 10⁶) are sensitive to transmembrane permeability. We also demonstrate that transmembrane permeability and partitioning are not interdependent, and both should be treated as fundamental chemical properties in predicting <em>F</em>_abs.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109108"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142563189","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Metabolite identification of emerging disinfection byproduct dibromo-benzoquinone in vivo and in vitro: Multi-strategy mass-spectrometry annotation and toxicity characterization","authors":"Meijiao Zhou ,&nbsp;Yichao Qian ,&nbsp;Mine Du ,&nbsp;Jun Wang ,&nbsp;Jinhua Li ,&nbsp;Wei Wang","doi":"10.1016/j.envint.2024.109134","DOIUrl":"10.1016/j.envint.2024.109134","url":null,"abstract":"<div><div>Halobenzoquinones (HBQs) are emerging disinfection byproducts (DBPs) of high toxicity and also are shared active toxic intermediates of multiple halogenated organic pollutants. Due to the strong oxidizing property and electrophilicity, HBQs exhibit extremely diverse metabolism pathways in organisms. The identification of toxic-decisive metabolites is pivotal, albeit challenging, for understanding the toxicity mechanisms of HBQs. We employed dibromo-benzoquinone (DBBQ) as a representative HBQ, and established a systematic analytical strategy using high-resolution mass spectrometry, which collectively coupled suspect screening (SS), mass defect filtering (MDF), product ion filtering (PIF), isotopic signature filtering (ISF), and molecular networking (MN). As a result, 20 biotransformation products of DBBQ were identified <em>in vivo</em> and <em>in vitro</em>, involving metabolism reactions such as hydroxylation, methylation, methoxylation, acetylation, sulfonation, glucuronidation, glutathionylation, dimerization, and conjugation with amino acids or fatty acids. Quantitative structure-activity relationship (QSAR) analysis and cytotoxicity experiments consistently demonstrated the significantly high toxicity of the fatty acid conjugate compared to the parent compound DBBQ and other metabolites, pinpointing the important role of the fatty acid conjugation in determining the metabolism and toxicity of HBQs. The research conducted a comprehensive evaluation of the metabolism of a typical HBQ with the combination of multiple analytical and toxicity characterization methods, therefore screen out the most important metabolism pathway of HBQs.</div></div>","PeriodicalId":308,"journal":{"name":"Environment International","volume":"193 ","pages":"Article 109134"},"PeriodicalIF":10.3,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142598244","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"RegionCategory":"环境科学与生态学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}