环境科学与技术最新文献_第10页

Hepatotoxicity of Three Common Liquid Crystal Monomers in Mus musculus: Differentiation of Actions Across Different Receptors and Pathways 三种常见液晶单体对小家鼠的肝毒性：在不同受体和途径上的分化作用

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-13 DOI: 10.1021/acs.est.4c08945

Zhichao Zhang, Shengjie Yuan, Zhongchao Yang, Yafeng Liu, Su Liu, Ling Chen, Bing Wu

{"title":"Hepatotoxicity of Three Common Liquid Crystal Monomers in Mus musculus: Differentiation of Actions Across Different Receptors and Pathways","authors":"Zhichao Zhang, Shengjie Yuan, Zhongchao Yang, Yafeng Liu, Su Liu, Ling Chen, Bing Wu","doi":"10.1021/acs.est.4c08945","DOIUrl":"https://doi.org/10.1021/acs.est.4c08945","url":null,"abstract":"Liquid crystal monomers (LCMs) of different chemical structures were widely detected in various environmental matrices. However, their health risk evaluation is lacking. Herein, three representative LCMs were selected from 74 LCM candidates upon literature review and acute cytotoxicity evaluation, then Mus musculus were exposed to the three LCMs for 42 days at doses of 0.5 and 50 μg/kg/d to investigate hepatotoxicity and mechanisms. Phenotypic and histopathological results showed that the three LCMs (DTMDPB, MeO3bcH, and 5OCB) induced hepatomegaly, and only 5OCB induced fatty liver. DTMDPB and MeO3bcH decreased the total cholesterol (TCHO) and triglyceride (TG) content, whereas 5OCB increased the TCHO, TG, and alanine aminotransferase levels. Transcriptome and molecular docking analysis revealed that DTMDPB induced hepatotoxicity by agonizing the farnesoid X receptor, resulting in the disruption of unsaturated fatty acid biosynthesis, ascorbic acid and antioxidant pathways, and circadian clock homeostasis. MeO3bcH promoted inflammation and altered unsaturated fatty acid, primary bile acid biosynthesis, and circadian rhythm by antagonizing the aryl hydrocarbon receptor. 5OCB antagonized peroxisome proliferator-activated receptors, leading to fatty liver caused by the disruption of steroid, cholesterol, and terpenoid backbone biosynthesis pathways. This study provides references for understanding the hepatotoxicity of LCMs with different structures and the selection of priority control LCMs.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"29 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968582","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

Safe Production of Rice (Oryza sativa L.) in Arsenic-Contaminated Soil: a Remedial Strategy using Micro-Nanostructured Bone Biochar 水稻（Oryza sativa L.）在砷污染土壤中的安全生产：微纳米结构骨生物炭的修复策略

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-13 DOI: 10.1021/acs.est.4c05040

Yi Hao, Chuanxin Ma, Zeyu Cai, Lanfang Han, Weili Jia, Yini Cao, Jason C. White, Anqi Liang, Xinxin Xu, Hao Li, Guangcai Chen, Jiang Xiao, Wenfu Zheng, Luca Pagano, Elena Maestri, Marta Marmiroli, Nelson Marmiroli, Jian Zhao, Baoshan Xing

{"title":"Safe Production of Rice (Oryza sativa L.) in Arsenic-Contaminated Soil: a Remedial Strategy using Micro-Nanostructured Bone Biochar","authors":"Yi Hao, Chuanxin Ma, Zeyu Cai, Lanfang Han, Weili Jia, Yini Cao, Jason C. White, Anqi Liang, Xinxin Xu, Hao Li, Guangcai Chen, Jiang Xiao, Wenfu Zheng, Luca Pagano, Elena Maestri, Marta Marmiroli, Nelson Marmiroli, Jian Zhao, Baoshan Xing","doi":"10.1021/acs.est.4c05040","DOIUrl":"https://doi.org/10.1021/acs.est.4c05040","url":null,"abstract":"This study investigated the effects of fine-sized pork bone biochar particles on remediating As-contaminated soil and alleviating associated phytotoxicity to rice in 50-day short-term and 120-day full-life-cycle pot experiments. The addition of micro-nanostructured pork bone biochar (BC) pyrolyzed at 400 and 600 °C (BC400 and BC600) significantly increased the As-treated shoot and root fresh weight by 24.4–77.6%, while simultaneously reducing tissue As accumulation by 26.7–64.1% and increasing soil As content by 17.1–27.1% as compared to As treatment. Microbial community analysis demonstrated that BC600 and BC400 treatments increased the proportion of plant growth-promoting microbes such as Ceratobasidium and Achromobacter by 33–81.6% in the roots and As adsorption-associated Bacillus by 1.15–1.59-fold in the rhizosphere soil. Metabolomic profiling suggests that BC and As coexposure triggered differentially expressed metabolites (DEMs) enriched in lipid, carbohydrate, and amino acid metabolic pathways, all of which could alleviate As-induced phytotoxicity and promote plant As tolerance. Importantly, the quality of As-treated rice grains was improved by the BC amendments. This study demonstrates the significant potential of BC for enhancing crop growth and minimizing the As-induced phytotoxicity to rice and provides a framework for a promising strategy for remediating heavy metal(loid)-contaminated soil while simultaneously promoting food safety.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"204 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968312","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

Implications of Pyrolytic Gas Dynamic Evolution on Dissolved Black Carbon Formed During Production of Biochar from Nitrogen-Rich Feedstock 富氮原料生产生物炭过程中热解气体动态演化对溶解黑碳的影响

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-12 DOI: 10.1021/acs.est.4c08231

Xiaoxiao Zhang, Zibo Xu, Yuqing Sun, Sanjay K. Mohanty, Hanwu Lei, Eakalak Khan, Daniel C. W. Tsang

{"title":"Implications of Pyrolytic Gas Dynamic Evolution on Dissolved Black Carbon Formed During Production of Biochar from Nitrogen-Rich Feedstock","authors":"Xiaoxiao Zhang, Zibo Xu, Yuqing Sun, Sanjay K. Mohanty, Hanwu Lei, Eakalak Khan, Daniel C. W. Tsang","doi":"10.1021/acs.est.4c08231","DOIUrl":"https://doi.org/10.1021/acs.est.4c08231","url":null,"abstract":"Gases and dissolved black carbon (DBC) formed during pyrolysis of nitrogen-rich feedstock would affect atmospheric and aquatic environments. Yet, the mechanisms driving biomass gas evolution and DBC formation are poorly understood. Using thermogravimetric-Fourier transform infrared spectrometry and two-dimensional correlation spectroscopy, we correlated the temperature-dependent primary noncondensable gas release sequence (H2O → CO2 → HCN, NH3 → CH4 → CO) with specific defunctionalization stages in the order: dehydration, decarboxylation, denitrogenation, demethylation, and decarbonylation. Our results revealed that proteins in feedstock mainly contributed to gas releases, and low-volatile pyrolytic products contributed to DBC. Combining mass difference analysis with Fourier transform ion cyclotron resonance mass spectrometry, we showed that 44–60% of DBC molecular compositions were correlated with primary gas-releasing reactions. Dehydration (−H2O), with lower reaction energy barrier, contributed to DBC formation most at 350 and 450 °C, whereas decarboxylation (−CO2) and deamidization (−HCNO) prevailed in contributing to DBC formation at 550 °C. The aromaticity changes of DBC products formed via gas emissions were deduced. Compared to their precursors, dehydration increased DBC aromaticity, while deamidization reduced the aromaticity of DBC products. These insights on pyrolytic byproducts help predict and tune DBC properties via changing gas formed during biochar production, minimizing their negative environmental impacts.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"87 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968584","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

Engineering Subnanometric Electronic Interaction between Ru and Mn in Zeolite Boosts Catalytic Oxidation of Dichloromethane 沸石中 Ru 和 Mn 之间的亚纳米电子相互作用工程可促进二氯甲烷的催化氧化

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-12 DOI: 10.1021/acs.est.4c09264

Yanfei Zheng, Rui Han, Zongxiang Yang, Weinuo Xu, Qingling Liu

{"title":"Engineering Subnanometric Electronic Interaction between Ru and Mn in Zeolite Boosts Catalytic Oxidation of Dichloromethane","authors":"Yanfei Zheng, Rui Han, Zongxiang Yang, Weinuo Xu, Qingling Liu","doi":"10.1021/acs.est.4c09264","DOIUrl":"https://doi.org/10.1021/acs.est.4c09264","url":null,"abstract":"Designing catalysts with both activity and stability remains a grand challenge for the removal of chlorinated volatile organic compounds (CVOCs) by catalytic oxidation. Herein, the Ru–Mn subnanometric species encapsulated in ZSM-5 zeolite (RuMn@Z) was synthesized. It shows that the 90% conversion of dichloromethane is as low as 320 °C, which is significantly lower than that of Ru@Z (350 °C) and the impregnation catalyst (RuMn/Z, 355 °C). Importantly, the RuMn@Z catalyst exhibits excellent high-temperature resistance (800 °C for 10 h), water resistance, long-term stability, and cyclic stability. Different from the RuMn/Z with nanoscale metal interaction, Ru and Mn species in RuMn@Z have strong electronic interaction on the subnanometric scale due to the confinement effect of zeolite. As the electronic structure regulator, the Mn species keeps the Ru species in an electron-deficient state through the Ru–O–Mn bonds, which effectively activates lattice oxygen species and molecular oxygen to participate in the reaction. Moreover, the confinement effect also makes the acid tightly coupled with the redox site, which promotes the rapid conversion of dechlorination products, formates, and other intermediate products. Therefore, this study provides valuable insights into the design of high-performance catalysts for CVOCs removal and other environmental fields.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"48 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968583","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 Contribution of Hydrogen Radicals to Per- and Polyfluoroalkyl Substances (PFASs) Defluorination: Applicability and Degradation Mechanisms 揭示氢自由基对全氟和多氟烷基物质 (PFAS) 脱氟的贡献：适用性和降解机制

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-12 DOI: 10.1021/acs.est.4c10411

Yuwen Qi, Yinbo Yang, Xue Yu, Sai Wu, Weicheng Wang, Qin Yu, Cuiping Wang, Yanna Liang, Hongwen Sun

{"title":"Unveiling the Contribution of Hydrogen Radicals to Per- and Polyfluoroalkyl Substances (PFASs) Defluorination: Applicability and Degradation Mechanisms","authors":"Yuwen Qi, Yinbo Yang, Xue Yu, Sai Wu, Weicheng Wang, Qin Yu, Cuiping Wang, Yanna Liang, Hongwen Sun","doi":"10.1021/acs.est.4c10411","DOIUrl":"https://doi.org/10.1021/acs.est.4c10411","url":null,"abstract":"At present, the defluorination of per- and polyfluoroalkyl substances (PFASs), including perfluoroether compounds as substitutes of perfluorooctanoic acid (PFOA) and perfluorooctanesulfonate, is limited by the effective active species produced during the oxidation–reduction process. The contribution of the hydrogen radical (•H) as a companion active substance in the photoreduction and electrocatalytic degradation of PFASs has been neglected. Herein, we demonstrate that perfluorocarboxylic acids and perfluoroether compounds such as PFOA and hexafluoropropylene oxide dimer acid (GenX) underwent near-complete photodegradation and effective defluorination by continuously generating •H through perfluoroalkyl radical activation of water under UV irradiation without any reagents and catalysts. Importantly, the initial dissolved oxygen, H+, and impurities in surface water scarcely inhibited the defluorination of the PFASs. The difference in the defluorination mechanism between PFOA and GenX under the action of •H was elucidated by combining theoretical calculations with targeted and nontargeted analysis methods. The investigation of the photodegradation of different PFASs indicates that perfluoroether compounds were not easily photodegraded via reduction of •H compared with other compounds, whereas polyfluorinated compounds in which some F atoms were replaced with Cl were more prone to elimination. However, the UV/•H system was ineffective against perfluorosulfonic acids. This study provides an unprecedented perspective for further development of the removal technology of PFASs and the design of alternative PFASs that are easy to eliminate.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"26 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142968587","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

Data-Driven Approach for Designing Eco-Friendly Heterocyclic Compounds for the Soil Microbiome 数据驱动的土壤微生物群生态友好型杂环化合物设计方法

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-11 DOI: 10.1021/acs.est.4c09664

Bingfeng Chen, Meng Liu, Zhenyan Zhang, Binghai Lv, Yitian Yu, Qi Zhang, Nuohan Xu, Zhihan Yang, Tao Lu, Shengjie Xia, Jun Chen, Haifeng Qian

{"title":"Data-Driven Approach for Designing Eco-Friendly Heterocyclic Compounds for the Soil Microbiome","authors":"Bingfeng Chen, Meng Liu, Zhenyan Zhang, Binghai Lv, Yitian Yu, Qi Zhang, Nuohan Xu, Zhihan Yang, Tao Lu, Shengjie Xia, Jun Chen, Haifeng Qian","doi":"10.1021/acs.est.4c09664","DOIUrl":"https://doi.org/10.1021/acs.est.4c09664","url":null,"abstract":"Soil microbiota plays crucial roles in maintaining the health, productivity, and nutrient cycling of terrestrial ecosystems. The persistence and prevalence of heterocyclic compounds in soil pose significant risks to soil health. However, understanding the links between heterocyclic compounds and microbial responses remains challenging due to the complexity of microbial communities and their various chemical structures. This study developed a machine-learning approach that integrates the properties of chemical structures with the diversity of soil bacteria and functions to predict the impact of heterocyclic compounds on the microbial community and improve the design of eco-friendly heterocyclic compounds. We screened the key chemical structures of heterocyclic compounds─particularly those with topological polar surface areas (<74.2 Å2 or 111.3–154.1 Å2), carboxyl groups, and dissociation constant, which maintained high soil bacterial diversity and functions, revealing threshold effects where specific structural parameters dictated microbial responses. These eco-friendly compounds stabilize communities and increase beneficial carbon and nitrogen cycle functions. By applying these design parameters, we quantitatively assessed the eco-friendliness scores of 811 heterocyclic compounds, providing a robust foundation for guiding future applications. Our study disentangles the critical chemical structure-related properties that influence the soil microbial community and establishes a computational framework for designing eco-friendly compounds with ecological benefits from an ecological perspective.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"40 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142961178","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

Arginine Metabolism Reprogramming in Perfluorooctanoic Acid (PFOA)-Induced Liver Injury 全氟辛酸（PFOA）诱导的肝损伤中精氨酸代谢重编程

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-10 DOI: 10.1021/acs.est.4c07971

Jie Gao, Tiantian Li, Wei Guo, Meilin Yan, Junran Liu, Xiaolong Yao, Meilin Lv, Yun Ding, Hua Qin, Minghao Wang, Runzeng Liu, Jun Liu, Chunzhen Shi, Jianbo Shi, Guangbo Qu, Guibin Jiang

{"title":"Arginine Metabolism Reprogramming in Perfluorooctanoic Acid (PFOA)-Induced Liver Injury","authors":"Jie Gao, Tiantian Li, Wei Guo, Meilin Yan, Junran Liu, Xiaolong Yao, Meilin Lv, Yun Ding, Hua Qin, Minghao Wang, Runzeng Liu, Jun Liu, Chunzhen Shi, Jianbo Shi, Guangbo Qu, Guibin Jiang","doi":"10.1021/acs.est.4c07971","DOIUrl":"https://doi.org/10.1021/acs.est.4c07971","url":null,"abstract":"Perfluorooctanoic acid (PFOA) is a persistent pollutant that has gained worldwide attention, owing to its widespread presence in the environment. Previous studies have reported that PFOA upregulates lipid metabolism and is associated with liver injury in humans. However, when the fatty acid degradation pathway is activated, lipid accumulation still occurs, suggesting the presence of unknown pathways and mechanisms that remain to be elucidated. In this study, adult C57BL/6N mice were exposed to PFOA at 0.1, 1, and 10 mg/kg/day. Using integrated metabolomics and transcriptomics, it was uncovered that arginine metabolism was differentially downregulated in all three groups. In vitro studies confirmed the downregulation of arginine metabolism in MIHA cell lines treated with PFOA. Supplementation of arginine could effectively rescue liver injury and downregulate the chemokine levels caused by PFOA. This finding highlights the contribution of arginine metabolism in maintaining liver health following PFOA exposure and suggests potential mechanisms of metabolic and immune modulation.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"36 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142961211","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

Investigation of Transformation Pathways of Polyfluoroalkyl Substances during Chlorine Disinfection 氯消毒过程中多氟烷基物质转化途径的研究

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-10 DOI: 10.1021/acs.est.4c05059

Runze Sun, Akash P. Bhat, William A. Arnold, Feng Xiao

{"title":"Investigation of Transformation Pathways of Polyfluoroalkyl Substances during Chlorine Disinfection","authors":"Runze Sun, Akash P. Bhat, William A. Arnold, Feng Xiao","doi":"10.1021/acs.est.4c05059","DOIUrl":"https://doi.org/10.1021/acs.est.4c05059","url":null,"abstract":"Recent regulations on perfluorinated compounds in drinking water underscore the need for a deeper understanding of the formation of perfluorinated compounds from polyfluoroalkyl substances during chlorine disinfection. Among the compounds investigated in this study, N-(3-(dimethylaminopropan-1-yl)perfluoro-1-hexanesulfonamide (N-AP-FHxSA) underwent rapid transformation during chlorination. Within an hour, it produced quantitative yields of various poly- and per-fluorinated products, including perfluorohexanoic acid (PFHxA). Sixteen reactions involving chlorine with N-AP-FHxSA and its quaternary ammonium analog were investigated; seven were confirmed, while the remainder were either disproved or found to be insignificant. The quaternary ammonium moiety did not determine a polyfluoroalkyl substance’s reactivity toward chlorine. For example, while 6:2 fluorotelomer sulfonamide betaine transformed rapidly to PFHxA, other quaternary-ammonium-containing polyfluoroalkyl substances, such as 5:1:2 and 5:3 fluorotelomer betaines, showed significant resistance to chlorination. Further investigation identified potential sites for electrophilic attacks near the amine region by examining the highest occupied molecular orbitals of the polyfluoroalkyl substances. Visualization techniques helped pinpoint electron-deficient and electron-rich sites as potential targets for nucleophilic and electrophilic attacks, respectively. Increasing the solution pH from 6 to 10 did not diminish the apparent degradation of the studied polyfluoroalkyl substances, likely due to the greater reactivity of the deprotonated forms compared to the conjugate acids. Finally, we also examined the hydrolysis of polyfluoroalkyl substances at pH 6 to 11 in the absence of chlorine.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"29 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142961210","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

Critical Structures of Bisphenol Analogues on Embryonic Toxicity Identified by a Computational Approach 用计算方法鉴定双酚类似物对胚胎毒性的关键结构

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-10 DOI: 10.1021/acs.est.4c10012

Pingping Wang, Pu Xia, Shixiang Gao, Wei Shi, Xiaowei Zhang

{"title":"Critical Structures of Bisphenol Analogues on Embryonic Toxicity Identified by a Computational Approach","authors":"Pingping Wang, Pu Xia, Shixiang Gao, Wei Shi, Xiaowei Zhang","doi":"10.1021/acs.est.4c10012","DOIUrl":"https://doi.org/10.1021/acs.est.4c10012","url":null,"abstract":"Safer chemical alternatives to bisphenol (BP) have been a major pursuit of modern green chemistry and toxicology. Using a chemical similarity-based approach, it is difficult to identify minor structural differences that contribute to the significant changes of toxicity. Here, we used omics and computational toxicology to identify chemical features associated with BP analogue-induced embryonic toxicity, offering valuable insights to inform the design of safer chemical alternatives. The zebrafish embryonic acute toxicity, behavioral effects, and concentration-dependent transcriptome analysis of 17 BP analogues were tested, and the chemical structure characteristics and key biological activities-induced embryonic toxicity were explored. BPE, BPF, BPP, BPBP, and BPS induced lower embryonic lethality than BPA. And, 8 BP analogues triggered hyperactive behavior at environmentally and human relevant concentrations. BP analogues with phenol rings linked via hydrophobic segments (“chain:alkaneBranch_neopentyl_C5”) disturbed stress response, leading to embryonic lethality, and introducing hydrophobic groups on the meta position of bisphenol structure augmented their embryonic lethality effects. “3DACorr_TotChg_3” of BP analogues is a key physicochemical feature for behavioral disorders, and BP analogues with 3DACorr_TotChg_3 value < 0.11 could induce hyperactive behavior by perturbing neurodevelopment relevant biological pathways. This study provides an integrated strategy, combining data-driven profiling and mechanism-based analysis for safer chemical alternatives.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"81 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142940308","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

Impact of On-Road U.S. Vehicle Electrification and Lightweighting on Critical Materials Demand 美国道路车辆电气化和轻量化对关键材料需求的影响

IF 9.028 1区环境科学与生态学

环境科学与技术 Pub Date : 2025-01-10 DOI: 10.1021/acs.est.4c08395

Thomas Maani, Christopher P. Kolodziej, Jarod C. Kelly, Rakesh K. Iyer, John W. Sutherland, Michael Wang

{"title":"Impact of On-Road U.S. Vehicle Electrification and Lightweighting on Critical Materials Demand","authors":"Thomas Maani, Christopher P. Kolodziej, Jarod C. Kelly, Rakesh K. Iyer, John W. Sutherland, Michael Wang","doi":"10.1021/acs.est.4c08395","DOIUrl":"https://doi.org/10.1021/acs.est.4c08395","url":null,"abstract":"The electrification of the transport sector is crucial for reducing greenhouse gas emissions and the reliance on fossil fuels. Battery electric vehicles (BEVs) depend on critical materials (CMs) for their batteries and electronic components, yet their widespread adoption may face constraints due to the limited availability of CMs. This study assesses the implications of vehicle electrification and lightweighting (material substitution) on the U.S. CM demand for light-duty vehicles (LDVs) and medium- and heavy-duty vehicles (MHDVs). Market sales scenarios of 100% internal combustion engine vehicles (ICEVs), 100% BEVs, and a 50%/50% mix are considered. The findings reveal that LDVs dominate the total CM demand despite MHDVs requiring more CMs per vehicle. Cobalt, graphite, lithium, neodymium, and nickel are critical for the 100% BEV adoption scenario, whereas palladium and rhodium are critical for ICEVs. LDV lightweighting increases total CM quantity per vehicle due to steel replacement with aluminum but reduces the vehicle’s mass, operational energy consumption, and reliance on high-concern battery-related CMs. Transitioning from nickel manganese cobalt (NMC622) to lithium iron phosphate (LFP) battery chemistry reduces CM use but increases demand for strategic materials such as copper and phosphorus. This study uniquely evaluates U.S. CM demand for LDVs and MHDVs across conventional and electric powertrains and investigates light-weighting and battery chemistry impacts.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"46 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-01-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142961217","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