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Enhanced Atomic Hydrogen Pathway for Contaminant Degradation in an S-nZVI/Epigallocatechin Gallate System: A Synergistic Enhancement Strategy. S-nZVI/表没食子儿茶素没食子酸酯体系中污染物降解的增强原子氢途径:协同增强策略。
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2025-10-20 DOI: 10.1021/acs.est.5c06437
Shuangjie Xiao,Siqi Zhang,Junmin Deng,Haoxuan Zhang,Long Li,Xiting Li,Irene M C Lo,Xiaohong Guan,Haoran Dong
{"title":"Enhanced Atomic Hydrogen Pathway for Contaminant Degradation in an S-nZVI/Epigallocatechin Gallate System: A Synergistic Enhancement Strategy.","authors":"Shuangjie Xiao,Siqi Zhang,Junmin Deng,Haoxuan Zhang,Long Li,Xiting Li,Irene M C Lo,Xiaohong Guan,Haoran Dong","doi":"10.1021/acs.est.5c06437","DOIUrl":"https://doi.org/10.1021/acs.est.5c06437","url":null,"abstract":"Sulfidized nanoscale zerovalent iron (S-nZVI) has been recognized as a promising reductant for treating trichloroethylene-contaminated groundwater. However, its superior reductive capacity appears to be contaminant-specific, showing limited efficacy toward other chlorinated and nitroaromatic compounds. In this study, epigallocatechin gallate (EGCG), a representative natural polyphenol, was combined with S-nZVI to amplify the atomic hydrogen (H*) pathway for decontamination. The S-nZVI/EGCG system demonstrated enhanced reduction reactivity for chloramphenicol (CAP) degradation, with the kobs value exhibiting obvious enhancement (4.9-10 times) compared with that of the control systems (i.e., nZVI, S-nZVI, and nZVI/EGCG). Mechanistic investigations using fluorescence spectroscopy and cyclic voltammetry substantiated the sustained generation of H* in the system. Scavenging experiments and kinetic isotope effect (KIE) analysis (KIE = 23.98) confirmed H* as the predominant reactive species. The enhanced performance originated from the synergistic mechanism that oxidized EGCG derivatives served as an electron shuttle, promoting electron transfer from Fe0 to accelerate water dissociation and the subsequent H* formation. Additionally, sulfidation played a crucial role in the retention of transient H*, effectively facilitating H* for contaminant reduction rather than the undesirable H2 evolution reaction. Herein, the S-nZVI/EGCG system exhibited great potential for reduction remediation, providing an environmentally sustainable strategy to broaden the applicability of S-nZVI in groundwater remediation.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"41 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145331880","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
Organophosphate Ester Migration Mechanisms and Environmental Impacts in the Western South China Sea. 南海西部有机磷酸酯迁移机制及其环境影响。
IF 9.028 1区 环境科学与生态学
环境科学与技术 Pub Date : 2025-10-20 DOI: 10.1021/acs.est.5c09148
Minwei Han,Kefu Yu,Ruijie Zhang,Biao Chen,Mei Xiong,Yaru Kang,Xiaopeng Yu,Zhenjun Qin,Xiangrong Xu
{"title":"Organophosphate Ester Migration Mechanisms and Environmental Impacts in the Western South China Sea.","authors":"Minwei Han,Kefu Yu,Ruijie Zhang,Biao Chen,Mei Xiong,Yaru Kang,Xiaopeng Yu,Zhenjun Qin,Xiangrong Xu","doi":"10.1021/acs.est.5c09148","DOIUrl":"https://doi.org/10.1021/acs.est.5c09148","url":null,"abstract":"Organophosphate esters (OPEs) are ubiquitous in various environmental media and are of concern because of their toxicity and potential ecological impacts. However, their transport mechanisms and ecological effects in marine environments remain poorly understood. Herein, we comprehensively investigated the occurrence and distribution of OPEs in multiple environmental media (atmosphere, rainwater, seawater, and sediments) in the western South China Sea (WSCS). Results show that OPEs are widespread in the WSCS. OPE concentrations in the atmosphere were higher than those reported in most other marine regions globally, whereas concentrations in seawater were either lower than or comparable to those in other oceanic regions. The biogeochemical cycling of OPEs is driven primarily by particulate matter (PM) and microbial activity. PM facilitates the transport of 65.3-98.4% of total OPEs and 60.5-100% of chlorinated OPEs from the atmosphere to the ocean. PM sinking strongly influences the vertical distribution of OPEs, while microorganisms contribute to OPE biodegradation through community succession, differentiation of ecological niches among key functional groups, and hydrolytic enzyme activity. Given the increasing concentrations of OPEs in the South China Sea, it is imperative to conduct comprehensive and continuous investigations of their migration mechanisms and impacts on marine ecosystems, particularly coral reefs.","PeriodicalId":36,"journal":{"name":"环境科学与技术","volume":"2 1","pages":""},"PeriodicalIF":9.028,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145331935","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
α-Olefination of Nitriles: Base-Promoted Ring-Opening Coupling of Nitriles and Chromone. 腈的α-烯烃化:碱促进的腈与色素开环偶联。
IF 4.354 2区 化学
Journal of Organic Chemistry Pub Date : 2025-10-20 DOI: 10.1021/acs.joc.5c01471
Di Wu,Sheng Tao,Tao Wang,Jun-Yuan Tang,Fei Chen,Zhi-Hong Du,Chun-Bo Bo,Min Li,Bin Dai,Ning Liu
{"title":"α-Olefination of Nitriles: Base-Promoted Ring-Opening Coupling of Nitriles and Chromone.","authors":"Di Wu,Sheng Tao,Tao Wang,Jun-Yuan Tang,Fei Chen,Zhi-Hong Du,Chun-Bo Bo,Min Li,Bin Dai,Ning Liu","doi":"10.1021/acs.joc.5c01471","DOIUrl":"https://doi.org/10.1021/acs.joc.5c01471","url":null,"abstract":"A new strategy for base-promoted ring-opening coupling reaction between nitriles and chromones for the synthesis of α-olefins was developed. This method demonstrates significant advantages, including high atomic economy, metal-free, air atmosphere, solvent-free, and room-temperature conditions. In this transformation process, the base promotes the progress of the Michael-type addition reaction, thereby initiating a ring-opening reaction between chromone and nitrile molecules. Two distinct types of α-olefination pathways for nitriles have been successfully established using a wide range of nitrile substrates. Most α-alkenylated products demonstrate notable antioxidant activity, revealing their potential applications in antioxidant development and promising prospects for pharmaceutical research.","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"71 1","pages":""},"PeriodicalIF":4.354,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145331886","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
1D MonSn Nanowires for Sustainable Hydrogen Evolution: Size and Fermi-Level Driven Catalysis 用于可持续析氢的一维蒙锡纳米线:尺寸和费米能级驱动催化
IF 4.126 3区 化学
The Journal of Physical Chemistry C Pub Date : 2025-10-20 DOI: 10.1021/acs.jpcc.5c05646
Xiaoxue Shang, Lingxiao Zhu, He Ma, Yue Liu, Yan Liu, Tian Cui, Da Li
{"title":"1D MonSn Nanowires for Sustainable Hydrogen Evolution: Size and Fermi-Level Driven Catalysis","authors":"Xiaoxue Shang, Lingxiao Zhu, He Ma, Yue Liu, Yan Liu, Tian Cui, Da Li","doi":"10.1021/acs.jpcc.5c05646","DOIUrl":"https://doi.org/10.1021/acs.jpcc.5c05646","url":null,"abstract":"Transition-metal chalcogenide nanowires are promising noble-metal-free catalysts. Their catalytic properties remain underexplored for size and electronic structure tuning. The Mo<sub>6</sub>S<sub>6</sub> nanowire shows well-documented environmental stability. Their structural analogs (Mo<sub><i>n</i></sub>S<sub><i>n</i></sub>, <i>n</i> = 6–11) lack systematic study. First-principles calculations reveal size-dependent hydrogen evolution reaction (HER) performance in the Mo<sub><i>n</i></sub>S<sub><i>n</i></sub> nanowires, comparable to platinum. The Mo<sub>6</sub>S<sub>6</sub> nanowire exhibits a hydrogen adsorption free energy of −0.16 eV, similar to Pt(111) at −0.17 eV. The Mo<sub>8</sub>S<sub>8</sub> nanowire, a semiconductor, shows unexpected HER activity despite its larger diameter. Electronic structure analysis indicates hydrogen adsorption triggers a semiconductor-to-metal transition. Strong Mo_4d–H_1s orbital coupling enables dynamic charge redistribution and interfacial conductivity. This metastability overcomes diameter-dependent activity limitations. HER performance in 1D chalcogenides depends on two factors: nanowire diameter affects active-site accessibility, and metal–adsorbate orbital hybridization drives electronic restructuring. The Mo<sub>8</sub>S<sub>8</sub> nanowire combines Pt-competitive activity, ambient stability, and scalable synthesis potential. These findings redefine design principles for low-dimensional HER electrocatalysts. They connect quantum confinement effects with orbital-level reactivity modulation. The results provide a universal strategy for tuning low-dimensional HER catalysts. This approach has implications for transition-metal-based energy conversion systems.","PeriodicalId":61,"journal":{"name":"The Journal of Physical Chemistry C","volume":"115 2 1","pages":""},"PeriodicalIF":4.126,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145332025","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ethylene Polymerization and Copolymerization Reactions with a Catalyst Based on the Ti(IV) Complex with a Diolate Ligand 钛(IV)配合物与二酸酯配体催化下的乙烯聚合与共聚反应
IF 1 4区 化学
Polymer Science, Series B Pub Date : 2025-10-20 DOI: 10.1134/S1560090425600871
L. A. Rishina, Y. V. Kissin, S. S. Lalayan, V. G. Krasheninnikov, S. S. Gusarov, A. S. Zabolotnov, A. A. Gulin, V. A. Tuskaev, S. Ch. Gagieva, B. M. Bulychev
{"title":"Ethylene Polymerization and Copolymerization Reactions with a Catalyst Based on the Ti(IV) Complex with a Diolate Ligand","authors":"L. A. Rishina,&nbsp;Y. V. Kissin,&nbsp;S. S. Lalayan,&nbsp;V. G. Krasheninnikov,&nbsp;S. S. Gusarov,&nbsp;A. S. Zabolotnov,&nbsp;A. A. Gulin,&nbsp;V. A. Tuskaev,&nbsp;S. Ch. Gagieva,&nbsp;B. M. Bulychev","doi":"10.1134/S1560090425600871","DOIUrl":"10.1134/S1560090425600871","url":null,"abstract":"<p>A novel catalyst system containing a complex of Ti(IV) with a bidentate diolate ligand and a binary Al(C<sub>2</sub>H<sub>5</sub>)<sub>2</sub>Cl/Mg(C<sub>4</sub>H<sub>9</sub>)<sub>2</sub> activator at a molar [Al]/[Mg] ratio of ~3 affords the synthesis of high-molecular weight polyethylene and ethylene copolymers with 1-hexene, 1-octene and 1-decene. Kinetic analysis shows that the catalyst contains two families of active centers, unstable and stable. The unstable centers, which dominate at the early stages of the polymerization reactions, produce polymers of high molecular weight and narrow molecular weight distribution (<i>M</i><sub>w</sub>/<i>M</i><sub>n</sub> ~ 2.5), similarly to alkene polymers prepared with several soluble metallocene and post-metallocene catalysts. The stable active centers produce polymers of lower molecular weight and broad molecular weight distribution, which is more typical for polymers produced with heterogeneous catalysts.</p>","PeriodicalId":739,"journal":{"name":"Polymer Science, Series B","volume":"67 2","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327522","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Novel Sulfonated Poly(arylene ether phosphine oxide)s Containing Bisphenol moieties as Proton Exchange Membrane 新型含双酚基磺化聚芳醚氧化膦作质子交换膜
IF 1 4区 化学
Polymer Science, Series B Pub Date : 2025-10-20 DOI: 10.1134/S156009042560086X
Runan Zu, Xiaomin Sun, Liqin Kang, Huiying Liao, Huiping Liu
{"title":"Novel Sulfonated Poly(arylene ether phosphine oxide)s Containing Bisphenol moieties as Proton Exchange Membrane","authors":"Runan Zu,&nbsp;Xiaomin Sun,&nbsp;Liqin Kang,&nbsp;Huiying Liao,&nbsp;Huiping Liu","doi":"10.1134/S156009042560086X","DOIUrl":"10.1134/S156009042560086X","url":null,"abstract":"<p>Two series of novel sulfonated poly(arylene ether phosphine oxide)s were synthesized by incorporating cheap bisphenol A or bisphenol AP into the backbone via direct polycondensation. Both sulfonated poly(arylene ether phosphine oxide)s could be cast into uniform and ductile membranes. Their properties as proton exchange membranes were investigated and compared in detail. As a result, the sulfonated poly(arylene ether phosphine oxide)s containing bisphenol AP units show better properties than polymer containing bisphenol A units with similar ion exchange capacity (IEC). For example, the former membrane shows a <i>XY</i> swelling ratio of 9.8%, a <i>Z</i> swelling ratio of 9.5%, a proton conductivity of 0.084 S/cm and 100% residual weight after immersing in Fentons’ reagent for 1 h at 80°C. Therefore, it is a promising proton exchange membrane for fuel cell due to cheap and high performance.</p>","PeriodicalId":739,"journal":{"name":"Polymer Science, Series B","volume":"67 2","pages":""},"PeriodicalIF":1.0,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327524","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Identifying the Cascade Carrier Transfer Processes in Quasi-2D Perovskite Films. 准二维钙钛矿薄膜中级联载流子转移过程的识别。
IF 6.475 2区 化学
The Journal of Physical Chemistry Letters Pub Date : 2025-10-20 DOI: 10.1021/acs.jpclett.5c02752
Xixi Xie,Qing Chang,Yaoyu Li,Wen Zeng,Shufeng Wang,Nanlin Wang,Cuncun Wu,Bohan Li
{"title":"Identifying the Cascade Carrier Transfer Processes in Quasi-2D Perovskite Films.","authors":"Xixi Xie,Qing Chang,Yaoyu Li,Wen Zeng,Shufeng Wang,Nanlin Wang,Cuncun Wu,Bohan Li","doi":"10.1021/acs.jpclett.5c02752","DOIUrl":"https://doi.org/10.1021/acs.jpclett.5c02752","url":null,"abstract":"Quasi-two-dimensional (2D) perovskites have garnered substantial research interest due to their remarkable stability and exceptional optoelectronic properties. It is well recognized that upon photoexcitation, electrons transfer from phases with narrower quantum well widths (small n) to those with wider ones (large n), ultimately reaching the three-dimensional (3D) phase. However, it remains difficult to distinguish whether charge carriers transfer directly to the 3D perovskite or undergo a cascade transfer through other 2D phases within the first picoseconds after excitation. In this work, we established a straightforward method to distinguish the cascade charge transfer processes by comparing the time resolution fitted from the rising edges of bleaching signals corresponding to different 2D phases. This deconvolution fitting method further enabled calibration of the time zeros on kinetic curves. The corrected results exhibit consistency with those derived from the optical Kerr effect measurements, thereby cross-validating the accuracy of this approach. The experimental results indicate that under low light intensity, no cascade transfer occurs between two different small n phases of the quasi-2D perovskite (BDA)FA3Pb4I13 thin films in the initial picoseconds following photoexcitation. Instead, electrons transfer directly from small n phases to the 3D phase. This work provides a method for identifying cascade carrier transfer processes accurately, potentially providing enhanced guidance and a deeper understanding of optoelectronic materials.","PeriodicalId":62,"journal":{"name":"The Journal of Physical Chemistry Letters","volume":"54 1","pages":"11215-11221"},"PeriodicalIF":6.475,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145331592","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanistic Insights into Chemoselectivity in Nickel-Catalyzed Arylation of Competitive Nucleophilic Systems: A DFT Perspective. 竞争性亲核体系中镍催化芳基化化学选择性的机理研究:DFT视角。
IF 2.8 2区 化学
The Journal of Physical Chemistry A Pub Date : 2025-10-20 DOI: 10.1021/acs.jpca.5c04513
Chao Shan, Zhiqiang Zhang, Wanli Cheng, Xuexiang Ma, Ranran Li
{"title":"Mechanistic Insights into Chemoselectivity in Nickel-Catalyzed Arylation of Competitive Nucleophilic Systems: A DFT Perspective.","authors":"Chao Shan, Zhiqiang Zhang, Wanli Cheng, Xuexiang Ma, Ranran Li","doi":"10.1021/acs.jpca.5c04513","DOIUrl":"https://doi.org/10.1021/acs.jpca.5c04513","url":null,"abstract":"<p><p>Nickel-catalyzed cross-coupling of alcohols or amines with aryl electrophiles enables the selective arylation of complex substrates bearing competing nucleophilic groups without resorting to protective groups. In this study, the mechanisms underlying such competitive arylation reactions are investigated using DFT calculations to elucidate the origins of chemoselectivity. The results identify reductive elimination as the rate-limiting step, with chemoselectivity primarily governed by kinetic control. The dominant factor influencing the selectivity in various contending alcohols is the steric hindrance around the hydroxyl O atom. Diols exhibit selective primary <i>O</i>-arylation due to stronger d-p interactions between the alkoxide and the nickel-bisphosphine fragment in both reactant intermediates and transition states. Steric hindrance predominantly dictates <i>O</i>- versus <i>N</i>-arylation selectivity when alcohols and arylamines compete, whereas both steric and electronic effects collectively determine the preference for <i>N</i>-arylation when alcohols compete with alkylamines. Moreover, the selective <i>O</i>-arylation of amino alcohols is attributed to stronger noncovalent interactions between C and O. These mechanistic insights facilitate developing selective arylation methodologies for competitive nucleophilic systems.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":""},"PeriodicalIF":2.8,"publicationDate":"2025-10-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Strategy for the Synthesis of the [7-5-7-6] Tetracyclic Core of Daphnipaxinin. Daphnipaxinin[7-5-7-6]四环核心的合成策略
IF 4.354 2区 化学
Journal of Organic Chemistry Pub Date : 2025-10-19 DOI: 10.1021/acs.joc.5c01906
Long Min,Lilin Zhao,Zhaoqi Li,Zichun Zhang
{"title":"Strategy for the Synthesis of the [7-5-7-6] Tetracyclic Core of Daphnipaxinin.","authors":"Long Min,Lilin Zhao,Zhaoqi Li,Zichun Zhang","doi":"10.1021/acs.joc.5c01906","DOIUrl":"https://doi.org/10.1021/acs.joc.5c01906","url":null,"abstract":"Herein, we report an efficient approach for the direct synthesis of the [7-5-7-6] tetracyclic framework of daphnipaxinin, which contains two synthetically challenging medium-sized rings. The acid-promoted type I [5 + 2] cycloaddition reaction was used as the key step, which directly constructed a synthetically challenging [7-7] fused A/D ring system and the desired all-carbon quaternary stereocenter diastereoselectively.","PeriodicalId":57,"journal":{"name":"Journal of Organic Chemistry","volume":"1 1","pages":""},"PeriodicalIF":4.354,"publicationDate":"2025-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145319234","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Mechanistic Insights into How Juxtamembrane Residue Modulation Leads To LAMP2A Inactivation in Chaperone-Mediated Autophagy. 在伴侣介导的自噬中,近膜残基调节如何导致LAMP2A失活的机制见解。
IF 2.9 2区 化学
The Journal of Physical Chemistry B Pub Date : 2025-10-19 DOI: 10.1021/acs.jpcb.5c06192
Ishwar Patel, Nidhi Malhotra
{"title":"Mechanistic Insights into How Juxtamembrane Residue Modulation Leads To LAMP2A Inactivation in Chaperone-Mediated Autophagy.","authors":"Ishwar Patel, Nidhi Malhotra","doi":"10.1021/acs.jpcb.5c06192","DOIUrl":"https://doi.org/10.1021/acs.jpcb.5c06192","url":null,"abstract":"<p><p>The lysosome-associated membrane protein type 2A (LAMP2A) is a critical mediator of chaperone-mediated autophagy (CMA), a selective degradation pathway essential for cellular homeostasis. The trimeric assembly of LAMP2A serves as an intermediate in forming higher-order oligomers that are responsible for substrate translocation and degradation. However, the molecular determinants of the trimeric stability remain poorly understood. We performed 30 μs of all-atom molecular dynamics simulations in a realistic lysosomal membrane environment to investigate how different protonation states of juxtamembrane histidine residues influence the structural dynamics of wild-type (WT) LAMP2A and compare these with an experimentally characterized inactive mutant, in which four charged residues were replaced by alanines. Comparative analyses reveal that in the WT protein, this region is stabilized through charged lipid nanoclusters and contributes to maintaining proper tilt angles and membrane anchoring of the monomeric and trimeric assemblies, while the mutant buries these residues within the lipid bilayer due to hydrophobic mismatch, leading to altered tilting, reduced dynamicity, disrupted oligomeric stability, altered lipid distribution, and membrane properties. We identified key interacting residues stabilizing the WT oligomeric state and demonstrated how their loss compromises trimeric assembly in the mutant. Our results offer mechanistic insights into how the disruption of juxtamembrane residues impairs CMA activity, with potential implications for CMA regulation.</p>","PeriodicalId":60,"journal":{"name":"The Journal of Physical Chemistry B","volume":" ","pages":""},"PeriodicalIF":2.9,"publicationDate":"2025-10-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145327861","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"化学","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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