环境科学与技术最新文献

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In Vivo Bioavailability and In Vitro Bioaccessibility of Iodine in Edible Seaweeds: Method Development and Health Implications
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-12 DOI: 10.1021/acs.est.4c08990
Shuo Zhou, Dengke Zhang, Yi Kong, Qian Zhang, Xinyi Cui
{"title":"In Vivo Bioavailability and In Vitro Bioaccessibility of Iodine in Edible Seaweeds: Method Development and Health Implications","authors":"Shuo Zhou, Dengke Zhang, Yi Kong, Qian Zhang, Xinyi Cui","doi":"10.1021/acs.est.4c08990","DOIUrl":"https://doi.org/10.1021/acs.est.4c08990","url":null,"abstract":"Both iodine (I) deficiency and I excess can adversely affect human health. Seaweed consumption is one of the most important natural sources for I. This study assessed I relative bioavailability (RBA) in seaweed using an <i>in vivo</i> mouse model and compared it with I bioaccessibility measured by three <i>in vitro</i> methods (Physiologically Based Extraction Test (PBET), the Solubility Bioaccessibility Research Consortium (SBRC), and the Unified Bioaccessibility Research Group of Europe Method (UBM)). Total I concentrations in 26 seaweed samples from four species ranged from 52.4 to 1322 mg/kg of dry weight. The I RBA varied from 18.5% to 89.0%, significantly influenced by inorganic I percentage (<i>r</i> = 0.50, <i>p</i> &lt; 0.01) and total dietary fiber contents (<i>r</i> = −0.28, <i>p</i> &lt; 0.05) in seaweeds. The I bioaccessibility varied among species and methods and were affected by the pH of gastric solution, as well as the structural changes in seaweed during <i>in vitro</i> extraction. Correlation analysis demonstrated that PBET was the best predictor for I RBA (<i>R</i><sup>2</sup> = 0.64). These results developed an appropriate <i>in vitro</i> method for predicting I bioavailability in seaweeds, which is highly beneficial for the accurate assessment for I dietary intake.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"21 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142809843","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}
引用次数: 0
Aristolochic Acids and Aristoloxazines Are Widespread in the Soil of Aristolochiaceae Herb Cultivation Fields
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-12 DOI: 10.1021/acs.est.4c09559
Man-Lung Chin, Haoyu Zhang, Chun-Kit Au, Wing-Laam Luk, Zongwei Cai, Wan Chan
{"title":"Aristolochic Acids and Aristoloxazines Are Widespread in the Soil of Aristolochiaceae Herb Cultivation Fields","authors":"Man-Lung Chin, Haoyu Zhang, Chun-Kit Au, Wing-Laam Luk, Zongwei Cai, Wan Chan","doi":"10.1021/acs.est.4c09559","DOIUrl":"https://doi.org/10.1021/acs.est.4c09559","url":null,"abstract":"The cancer risk associated with aristolochic acid (AA) exposure through the consumption of AA-containing herbal medicine has received tremendous attention in the past decades. However, environmental exposure routes from the associated medicinal herb cultivation fields have received little attention. We reveal through liquid chromatography-tandem mass spectrometry analysis of over 400 soil samples collected from three different Aristolochiaceae herb cultivation fields that AAs, which are nephrotoxic and carcinogenic, and aristoloxazines (AXs), a family of recently identified neurotoxic and genotoxic AA analogues, are widespread pollutants in these areas. In particular, aristoloxazine C was detected for the first time in the environment and was found in 318 out of 320 soil samples, at concentrations as high as 2.8 mg/kg, from an <i>Asarum heterotropoides</i> cultivation field. We show that in fact AXs are ecotoxic, inhibiting plant growth and significantly reducing the soil microorganism population. With the extensive cultivation of Aristolochiaceae herbs in order to meet their market demand, we believe our study points to an important environmental hazard that may place food crops and non-AA/AX-producing medicinal herbs at risk of AA/AX contamination. While previous research focused primarily on the health risks associated with exposure to AAs, this study uncovers environmental exposure as a new human exposure pathway that warrants the attention of both the general public and regulatory agencies.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"41 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142809844","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}
引用次数: 0
Occurrence, Transport, and Full-Scale Adsorptive Removal of PFAS in Electroplating Parks in China
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-11 DOI: 10.1021/acs.est.4c08065
Xiangzhe Jiang, Ziming Zhou, Zhiqiang Qin, Tao Ou, Qianxin Zhang, Huiyi Zhang, Xuan Wu, Shanshan He, Bojiang Meng, Yuxi Ge, Jun Huang, Yang Zhang, Zheng Peng, Gang Yu, Shubo Deng
{"title":"Occurrence, Transport, and Full-Scale Adsorptive Removal of PFAS in Electroplating Parks in China","authors":"Xiangzhe Jiang, Ziming Zhou, Zhiqiang Qin, Tao Ou, Qianxin Zhang, Huiyi Zhang, Xuan Wu, Shanshan He, Bojiang Meng, Yuxi Ge, Jun Huang, Yang Zhang, Zheng Peng, Gang Yu, Shubo Deng","doi":"10.1021/acs.est.4c08065","DOIUrl":"https://doi.org/10.1021/acs.est.4c08065","url":null,"abstract":"The electroplating industry is an important source of per- and polyfluoroalkyl substances (PFAS) contamination, but there is a lack of comprehensive studies on the occurrence, transport, and removal of PFAS in electroplating parks. In this study, we investigated typical electroplating parks in China and conducted the first full-scale removal of PFAS from chromium-plating wastewater using pore-enlarged granular activated carbon (GAC) and hydrophobic anion exchange resin (AER). The results showed that 6:2 fluorotelomer sulfonate (6:2 FTS) gradually replaced perfluorooctanesulfonate (PFOS) in China’s electroplating industry. The conventional reduction-sedimentation process hardly removed 6:2 FTS from chromium-plating wastewater, while the special air flotation process resulted in over 60% of PFOS entering the chromium sludge cake. Based on the full-scale evaluation, GAC and AER adsorption were feasible technologies for removing PFAS from chromium-plating wastewater, among which AER had higher adsorption capacity and removal efficiency for PFAS but poorer selectivity for 6:2 FTS than for PFOS. It is estimated that GAC and AER adsorption have the potential to reduce the discharge of PFAS by 5030–8000 kg/year in China. This study reveals the current status of PFAS contamination in China’s electroplating industry and provides feasible technologies for PFAS control.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"37 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142804587","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}
引用次数: 0
Multistage Generation Mechanisms of Reactive Oxygen Species and Reactive Chlorine Species in a Synergistic System of Anodic Oxidation Coupled with in Situ Free Chlorine and H2O2 Production
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-11 DOI: 10.1021/acs.est.4c09855
Na Ren, Chao Qu, Ao Zhang, Chen Yu, Xiaohu Li, Shujuan Meng, Jingyun Fang, Dawei Liang
{"title":"Multistage Generation Mechanisms of Reactive Oxygen Species and Reactive Chlorine Species in a Synergistic System of Anodic Oxidation Coupled with in Situ Free Chlorine and H2O2 Production","authors":"Na Ren, Chao Qu, Ao Zhang, Chen Yu, Xiaohu Li, Shujuan Meng, Jingyun Fang, Dawei Liang","doi":"10.1021/acs.est.4c09855","DOIUrl":"https://doi.org/10.1021/acs.est.4c09855","url":null,"abstract":"Electro-oxidation (EO) is an efficient approach to removing refractory organics in wastewater. However, the interference from chlorine ions (Cl<sup>–</sup>) can generate reactive chlorine species (RCS), potentially leading to the production of undesirable chlorinated byproducts. A novel approach involving the cathodic oxygen reduction reaction (ORR) for in situ H<sub>2</sub>O<sub>2</sub> production has emerged as a promising strategy to counteract this issue. This study systematically investigated the dynamics and transformation of RCS and reactive oxygen species (ROS) in an ORR/chloride-containing EO (EO-Cl) system, elucidating their respective roles in organic removal and chlorinated byproduct minimization. Distinct generation rates and patterns were observed for free chlorine and H<sub>2</sub>O<sub>2</sub> in the ORR/EO-Cl system. The rapid generation of free chlorine at the anode quickly reached a dynamic equilibrium, which contrasted with the moderate, continuous cathodic production of H<sub>2</sub>O<sub>2</sub>, resulting in considerable H<sub>2</sub>O<sub>2</sub> accumulation over time. This difference established kinetics-driven ROS and RCS formation and distribution, influencing the subsequent organic degradation process. Three distinct stages were identified in the degradation process. In stage I, free chlorine was the primary species, along with reactive species including Cl<sub>2</sub><sup>•–</sup>, <sup>1</sup>O<sub>2</sub>, ClO<sup>•</sup>, HO<sup>•</sup>, and Cl<sup>•</sup>. In stage II, the gradual accumulation of H<sub>2</sub>O<sub>2</sub> consumed free chlorine, favoring the formation of <sup>1</sup>O<sub>2</sub> and HO<sup>•</sup>. In stage III, excessive H<sub>2</sub>O<sub>2</sub> quenched the free radicals. Insights into these multistage mechanisms reveal that the rapid degradation of chlorinated byproducts by <sup>1</sup>O<sub>2</sub> and HO<sup>•</sup> occurs in stage II of the ORR/EO-Cl system.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"14 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142809848","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}
引用次数: 0
A Critical Review of an Environmental Risk Substance Induced by Aging Microplastics: Insights into Environmentally Persistent Free Radicals
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-11 DOI: 10.1021/acs.est.4c09107
Linyang Xie, Kecheng Zhu, Na Chen, Yongxi Deng, Wenjun Jiang, Hanzhong Jia
{"title":"A Critical Review of an Environmental Risk Substance Induced by Aging Microplastics: Insights into Environmentally Persistent Free Radicals","authors":"Linyang Xie, Kecheng Zhu, Na Chen, Yongxi Deng, Wenjun Jiang, Hanzhong Jia","doi":"10.1021/acs.est.4c09107","DOIUrl":"https://doi.org/10.1021/acs.est.4c09107","url":null,"abstract":"Microplastics (MPs), as an emerging contaminants category, can undergo complex aging in a variety of environmental matrices in which the chemical bonds of polymer molecules can be broken to form free radicals. While the existence of free radicals in aged plastics has been known for over half a century, only recently has significant research on a new type of environmentally risky substance, namely environmentally persistent free radicals (EPFRs), present in aged MPs and their environmental effects, been started, but it is still in its infancy. To address these issues, this work examines EPFR generation on MPs and their environmental effect by reviewing publications from 2012 to 2023. The aging processes and mechanisms of MPs in the environment are first summarized. Then, the occurrence and formation mechanisms of EPFRs on aged MPs are specifically discussed. Additionally, the reactivity of EPFRs on aging MPs and their influencing factors are comprehensively considered, such as their physicochemical properties, oxygen content, and coexisting substances. Due to their reactivity, EPFRs can interact directly with some substances (e.g., <i>p</i>-nitrophenol and proteins, etc.) or induce the generation of reactive oxygen species, leading to diverse environmental effects, including pollutant transformation, biotoxicity, and health risks. Finally, research challenges and perspectives for EPFRs formation on aging MPs and related environmental implications are presented. Given the environmental fate and risk of MPs-EPFRs, our urgent call for a better understanding of the potential hazards of aged MPs is to help develop a sustainable path for plastics management.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"233 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142804578","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}
引用次数: 0
Crop-Specific Emission Projection Suggests Peaking of Agricultural N2O by the Middle Century
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-11 DOI: 10.1021/acs.est.4c06592
Tianyuan Zhang, Xudong Wu, Chaohui Li, Changxiu Cheng
{"title":"Crop-Specific Emission Projection Suggests Peaking of Agricultural N2O by the Middle Century","authors":"Tianyuan Zhang, Xudong Wu, Chaohui Li, Changxiu Cheng","doi":"10.1021/acs.est.4c06592","DOIUrl":"https://doi.org/10.1021/acs.est.4c06592","url":null,"abstract":"Agriculture is the largest anthropogenic source of N<sub>2</sub>O emissions and plays a crucial role in global greenhouse gas mitigation. In an increasingly populated world with growing food demands, a precise and high-resolution spatial prediction of agricultural N<sub>2</sub>O emissions becomes essential in reducing global emissions. In this study, an integrated assessment model coupled with the land cover downscaling module is employed to predict crop-specific N<sub>2</sub>O emissions at a 0.05° resolution under various SSP-RCP scenarios from 2025 to 2100. Our findings show that global agricultural N<sub>2</sub>O emissions will peak around 2065, ranging from 5.2 to 6.6 Tg N a<sup>–1</sup>. Corn cultivation is the primary N<sub>2</sub>O contributor, while rice production will produce fewer emissions and peak before 2025. The emission hotspots are concentrated in western Europe, India, eastern China, and the west coast and east-central region of the USA. By 2100, the crop-specific N<sub>2</sub>O emissions in China are predicted to decrease below the levels observed in 2015, while the emissions in the USA and India may double in some socio-economic pathways. Our projection of N<sub>2</sub>O emission patterns is supportive of implementing targeted policies and strategies to achieve global emission reduction targets.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"10 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142804635","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}
引用次数: 0
Satellite-Based Monitoring of Methane Emissions from China’s Rice Hub
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-11 DOI: 10.1021/acs.est.4c09822
Ruosi Liang, Yuzhong Zhang, Qiwen Hu, Tingting Li, Shihua Li, Wenping Yuan, Jialu Xu, Yujia Zhao, Peixuan Zhang, Wei Chen, Minghao Zhuang, Guofeng Shen, Zichong Chen
{"title":"Satellite-Based Monitoring of Methane Emissions from China’s Rice Hub","authors":"Ruosi Liang, Yuzhong Zhang, Qiwen Hu, Tingting Li, Shihua Li, Wenping Yuan, Jialu Xu, Yujia Zhao, Peixuan Zhang, Wei Chen, Minghao Zhuang, Guofeng Shen, Zichong Chen","doi":"10.1021/acs.est.4c09822","DOIUrl":"https://doi.org/10.1021/acs.est.4c09822","url":null,"abstract":"Rice cultivation is one of the major anthropogenic methane sources in China and globally. However, accurately quantifying regional rice methane emissions is often challenging due to highly heterogeneous emission fluxes and limited measurement data. This study attempts to address this issue by quantifying regional methane emissions from rice cultivation with a high-resolution inversion of satellite methane observations from the Tropospheric Monitoring Instrument (TROPOMI). We apply the method to the largest rice-producing province (Heilongjiang) in China for 2021. Our satellite-based estimation finds a rice methane emission of 0.85 (0.69–1.03) Tg a<sup>–1</sup> from the province or an average emission factor of 22.0 (17.8–26.6) g m<sup>–2</sup> a<sup>–1</sup> when normalized by rice paddy areas. The satellite-based analysis reveals a 2 to 4 times lower bias in widely used global and national inventories, which lack up-to-date regional information. The inversion reduces the uncertainty of regional rice emissions by 73% relative to bottom-up estimates based on field flux measurements. The satellite inversion also shows that the highest rice methane emissions occur in June during the tillering stage of rice, decreasing toward ripening, indicating that the predominant water management practice in the region involves drainage and intermittent flooding after initial flooding. Process-based modeling further suggests that this practice can lead to a reduction of methane emissions by more than 50% compared to continuous flooding of rice paddies and natural wetlands.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"15 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810013","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}
引用次数: 0
Unveiling the Beneficial Effects of N2 as a CO2 Impurity on Fluid-Rock Reactions during Carbon Sequestration in Carbonate Reservoir Aquifers: Challenging the Notion of Purer Is Always Better
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-11 DOI: 10.1021/acs.est.4c07453
Chao Zhang, Pengfei Li, Zengmin Lun, Zihan Gu, Zhaomin Li
{"title":"Unveiling the Beneficial Effects of N2 as a CO2 Impurity on Fluid-Rock Reactions during Carbon Sequestration in Carbonate Reservoir Aquifers: Challenging the Notion of Purer Is Always Better","authors":"Chao Zhang, Pengfei Li, Zengmin Lun, Zihan Gu, Zhaomin Li","doi":"10.1021/acs.est.4c07453","DOIUrl":"https://doi.org/10.1021/acs.est.4c07453","url":null,"abstract":"CO<sub>2</sub>-enhanced oil recovery (CO<sub>2</sub>-EOR) is widely used in reservoir development, but its implementation is often limited by scarce pure CO<sub>2</sub> sources and high carbon capture costs. Flue gas from steam injection boilers typically contains 10–15% CO<sub>2</sub> and 80–85% N<sub>2</sub>, both of which serve as effective gas displacement agents. Injecting flue gas or CO<sub>2</sub>/N<sub>2</sub> mixtures into reservoirs can reduce carbon emissions, sequester CO<sub>2</sub>, and enhance recovery. Therefore, this study proposes a concept of enriching rather than capturing flue gas for storage, with a focus on how N<sub>2</sub> as an impurity affects the safety of CO<sub>2</sub> storage. This study examines interactions between gas mixtures with varying CO<sub>2</sub> enrichment rates (with N<sub>2</sub> impurities) and minerals. It performs microarea analyses of aged rocks using ultradepth-of-field microscope and atomic force microscopy (AFM), assesses calcite wettability via contact angle tests, and evaluates CO<sub>2</sub> storage column height under experimental conditions. Results indicate that with a CO<sub>2</sub> enrichment of at least 50%, adding N<sub>2</sub> creates additional dissolution pits on calcite surfaces. The calcite matrix exhibits optimal water-wettability at 50–75% CO<sub>2</sub> enrichment, facilitating greater CO<sub>2</sub> storage column heights. This suggests coinjecting N<sub>2</sub> and CO<sub>2</sub> can enhance long-term CO<sub>2</sub> storage safety and reduce capture costs.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"21 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142810010","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}
引用次数: 0
ChemNTP: Advanced Prediction of Neurotoxicity Targets for Environmental Chemicals Using a Siamese Neural Network
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-11 DOI: 10.1021/acs.est.4c10081
Lingjing Zhang, Tingji Yao, Jiaqi Luo, Hang Yi, Xiaoxiao Han, Wenxiao Pan, Qiao Xue, Xian Liu, Jianjie Fu, Aiqian Zhang
{"title":"ChemNTP: Advanced Prediction of Neurotoxicity Targets for Environmental Chemicals Using a Siamese Neural Network","authors":"Lingjing Zhang, Tingji Yao, Jiaqi Luo, Hang Yi, Xiaoxiao Han, Wenxiao Pan, Qiao Xue, Xian Liu, Jianjie Fu, Aiqian Zhang","doi":"10.1021/acs.est.4c10081","DOIUrl":"https://doi.org/10.1021/acs.est.4c10081","url":null,"abstract":"Environmental chemicals can enter the human body through various exposure pathways, potentially leading to neurotoxic effects that pose significant health risks. Many such chemicals have been identified as neurotoxic, but the molecular mechanisms underlying their toxicity, including specific binding targets, remain unclear. To address this, we developed ChemNTP, a predictive model for identifying neurotoxicity targets of environmental chemicals. ChemNTP integrates a comprehensive representation of chemical structures and biological targets, improving upon traditional methods that are limited to single targets and mechanisms. By leveraging these structural representations, ChemNTP enables rapid screening across 199 potential neurotoxic targets or key molecular initiating events (MIEs). The model demonstrates robust predictive performance, achieving an area under the receiver operating characteristic curve (<i>AUC</i><sub>ROC</sub>) of 0.923 on the test set. Additionally, ChemNTP’s attention mechanism highlights critical residues in binding targets and key functional groups or atoms in molecules, offering insights into the structural basis of interactions. Experimental validation through <i>in vitro</i> enzyme activity assays and molecular docking confirmed the binding of eight polybrominated diphenyl ethers (PBDEs) to acetylcholinesterase (AChE). We also provide a user-friendly software interface to facilitate the rapid identification of neurotoxicity targets for emerging environmental pollutants, with potential applications in studying MIEs for more types of toxicity.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"12 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2024-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142809849","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}
引用次数: 0
Photothermal Upcycling of Waste Polyvinyl Chloride Plastics. 废聚氯乙烯塑料的光热再循环。
IF 10.8 1区 环境科学与生态学
环境科学与技术 Pub Date : 2024-12-10 Epub Date: 2024-11-27 DOI: 10.1021/acs.est.4c07350
Hao Han, Penglei Yan, Qingye Li, Shuyi Zhang, Binglei Jiao, Gaolei Wei, Zhao Wang, Muhan Cao, Panpan Xu, Qiao Zhang, Jinxing Chen
{"title":"Photothermal Upcycling of Waste Polyvinyl Chloride Plastics.","authors":"Hao Han, Penglei Yan, Qingye Li, Shuyi Zhang, Binglei Jiao, Gaolei Wei, Zhao Wang, Muhan Cao, Panpan Xu, Qiao Zhang, Jinxing Chen","doi":"10.1021/acs.est.4c07350","DOIUrl":"10.1021/acs.est.4c07350","url":null,"abstract":"<p><p>Upgrading the most difficult-to-recycle waste polyvinyl chloride remains a significant challenge due to the potential formation of highly toxic substances, such as polychlorinated biphenyls. Here, we introduce a paradigm shift with a mild photothermal dechlorination-carbonization process that converts waste polyvinyl chloride plastics into valuable carbon materials. Through detailed techno-economic assessment (TEA) process modeling, based on recycling 96,000 tons of plastics, we demonstrate that utilizing clean solar energy for photothermal conversion can save approximately 2.34 × 10<sup>12</sup> kJ electricity and reduce the carbon footprint by 261,912.2 tons compared to traditional thermal-driven methods, offering clear environmental benefits. Notably, this photothermal recycling method can process more than 10 types of postconsumer and mixed waste polyvinyl chloride plastics, yielding carbon materials that exhibit excellent performance as components in sodium-ion energy storage batteries. Photothermal catalytic recycling of plastics thus emerges as a green and sustainable technology with promising applications.</p>","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":" ","pages":"21861-21870"},"PeriodicalIF":10.8,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142737785","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}
引用次数: 0
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