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Ultrasensitive and Specific Detection of Neutralization-Correlated Serum Antibodies Via Secondary Antibody−DNA Linker-Mediated Magnetic Bead−Based Proximity Extension Assay 通过二抗体- DNA连接体介导的磁珠邻近扩展试验超灵敏和特异性检测中和相关血清抗体
IF 7.3 1区 化学
Analytical Chemistry Pub Date : 2026-11-10 Epub Date: 2026-10-14 DOI: 10.1021/acs.analchem.6c03485
Long Zhao, Yujue Wang, Lin Xiao, Shiyu Cao, Wei Wang, Feng Ye
{"title":"Ultrasensitive and Specific Detection of Neutralization-Correlated Serum Antibodies Via Secondary Antibody−DNA Linker-Mediated Magnetic Bead−Based Proximity Extension Assay","authors":"Long Zhao,&nbsp;Yujue Wang,&nbsp;Lin Xiao,&nbsp;Shiyu Cao,&nbsp;Wei Wang,&nbsp;Feng Ye","doi":"10.1021/acs.analchem.6c03485","DOIUrl":"10.1021/acs.analchem.6c03485","url":null,"abstract":"<p>Sensitive, accurate, and readily deployable detection of neutralizing antibody (NAb) titers is essential for evaluating vaccine efficacy and population-level immunity. Here, we report an Antibody-DNA Linker (AND Linker) comprising a fusion of Protein A/G, a G4S flexible peptide, and duck circovirus replication initiator protein (DCV). This design enables orthogonal, site-specific assembly: the N-terminal Protein A/G binds the IgG Fc region, while the C-terminal DCV covalently captures 5′ ssDNA at a defined 1:1 molar ratio. Unlike random chemical crosslinking, which suffers from heterogeneous attachment sites, variable stoichiometry, and poor reproducibility, the AND Linker ensures uniform functional orientation and minimal batch-to-batch variation. By optimizing ssDNA secondary structure, we further enhanced DCV recognition efficiency. Integrating this linker into a magnetic bead-based proximity extension assay (termed SADL-MPEA), we achieved femtomolar-level detection of serum antibodies highly correlated with neutralizing activity. For HPV16 and HPV18, SADL-MPEA demonstrated limits of detection (LOD) approximately three orders of magnitude lower than conventional PEA using random chemical conjugation. In clinical serum validation against the pseudovirus neutralization test (PBNT), SADL-MPEA showed strong concordance (Pearson’s <em>r</em> = 0.84−0.85), confirming its utility as a reliable surrogate for functional neutralization capacity. Diagnostic performance was exceptional, with sensitivities of 90.9% (HPV16) and 83.3% (HPV18), 100% specificity for both, and an area under the ROC curve of 0.99. Crucially, SADL-MPEA requires only antigen-coated magnetic beads to adapt to new targets, as the DNA-labeled secondary antibody remains universal. This platform offers a simple, high-throughput, and scalable solution for NAb-correlated antibody detection in research and clinical settings.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"98 44","pages":"30480–30491"},"PeriodicalIF":7.3,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209445","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
A Multiple Signal Amplification Strategy from the Cascade Reactions of Catalytic Hairpin Assembly and Hybridization Chain Reaction for a Novel Bioelectronic Sensor 一种新型生物电子传感器中催化发夹组装和杂交链反应级联反应的多重信号放大策略
IF 7.3 1区 化学
Analytical Chemistry Pub Date : 2026-11-10 Epub Date: 2026-10-14 DOI: 10.1021/acs.analchem.6c03093
Junyong Lou, Jiajun Zhan, Futing Wang, Yujin Li, Yifan Lyu, Hongfen Yang, Dan Yang, Ren Cai, Weihong Tan
{"title":"A Multiple Signal Amplification Strategy from the Cascade Reactions of Catalytic Hairpin Assembly and Hybridization Chain Reaction for a Novel Bioelectronic Sensor","authors":"Junyong Lou,&nbsp;Jiajun Zhan,&nbsp;Futing Wang,&nbsp;Yujin Li,&nbsp;Yifan Lyu,&nbsp;Hongfen Yang,&nbsp;Dan Yang,&nbsp;Ren Cai,&nbsp;Weihong Tan","doi":"10.1021/acs.analchem.6c03093","DOIUrl":"10.1021/acs.analchem.6c03093","url":null,"abstract":"<p>A highly sensitive bioelectronic sensor (BES) was developed to analyze miRNA-182, utilizing Ag@Au hexagonal nanoplates (Ag@Au HNPs) in conjunction with catalytic hairpin assembly (CHA) and hybridization chain reaction (HCR) cascade reactions. The Ag@Au HNPs improve the conductivity between glucose oxidase (GOD) and carbon paper (CP), thereby contributing to enhanced electron transport in the BES. In addition, the multi-amplification strategy of the BES integrates the CHA-HCR cascade reaction with a capacitor to efficiently amplify the detection signal and enhance the sensitivity. As a result, the BES enables highly sensitive detection of miRNA-182 with a low limit of detection (LOD) of 0.34 fM (S/N = 3) in a wide linear response range of 1∼10<sup>4</sup> fM. Furthermore, the BES exhibited significant applicability in the detection of miRNA-182 in real samples.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"98 44","pages":"30318–30326"},"PeriodicalIF":7.3,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209448","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
High-Performance 19F-Tags in Detecting Protein “Hot Spots” in Live Mammalian Cells 在活体哺乳动物细胞中检测蛋白质“热点”的高性能19f标签
IF 7.3 1区 化学
Analytical Chemistry Pub Date : 2026-11-10 Epub Date: 2026-10-14 DOI: 10.1021/acs.analchem.6c02561
Chao-Yu Cui, Xia-Yan Li, Mo-Han Li, Yu-Hao Xiao, Xun-Cheng Su
{"title":"High-Performance 19F-Tags in Detecting Protein “Hot Spots” in Live Mammalian Cells","authors":"Chao-Yu Cui,&nbsp;Xia-Yan Li,&nbsp;Mo-Han Li,&nbsp;Yu-Hao Xiao,&nbsp;Xun-Cheng Su","doi":"10.1021/acs.analchem.6c02561","DOIUrl":"10.1021/acs.analchem.6c02561","url":null,"abstract":"<p>The understanding of weak protein interactions in native intracellular environments remains challenging due to macromolecular crowding, transient associations, and the highly heterogeneous chemical and spatial landscape of live cells. In-cell <sup>19</sup>F NMR has been shown to be a promising tool for the characterization of intracellular interactions and dynamics of proteins, but the quality and sensitivity of <sup>19</sup>F-reporters in detecting intracellular protein interactions remain largely unexplored. Here, we systematically designed and synthesized ten <sup>19</sup>F-tags (<strong>T1</strong>−<strong>T10</strong>) with diverse hydrophobicity and rigidity. The <sup>19</sup>F-tag was site-specifically installed in ubiquitin via thiol conjugation chemistry. We then examined the protein−<sup>19</sup>F-tag conjugates across various crowding media including chemical reagents, proteins, and cell lysates. Our findings reveal that the chemical structure of <sup>19</sup>F-tags is critical for accurately reflecting the intrinsic behavior of the target protein. Unexpectedly, certain <sup>19</sup>F-tags themselves, despite their small sizes, tend to interact transiently with commonly used crowding media (such as BSA), thereby confounding authentic protein interactions. Crucially, the live-cell NMR assay demonstrated that the <sup>19</sup>F-tag <strong>T8</strong> (3-chloro-2-(phenylsulfonyl)-5-(trifluoromethyl)pyridine) (PSPy-m3F), featuring a shorter linker tether and a balanced amphiphilic profile, serves as an optimal <sup>19</sup>F NMR reporter. It effectively resolves ubiquitin “hot spots” that are highly sensitive to weak intracellular interactions, providing a useful high-resolution tool for in-cell structural biology.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"98 44","pages":"30247–30255"},"PeriodicalIF":7.3,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209449","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Isotope-Coded Click Chemistry-Enabled Enrichment for Reliable Profiling and Quantification of Carboxyl Metabolites 用于羧基代谢物可靠分析和定量的同位素编码点击化学富集
IF 7.3 1区 化学
Analytical Chemistry Pub Date : 2026-11-10 Epub Date: 2026-10-14 DOI: 10.1021/acs.analchem.6c05924
Xin Tao, Min Ren, Tao Zhang, Hou-Kai Li, Jian-Bo Wan
{"title":"Isotope-Coded Click Chemistry-Enabled Enrichment for Reliable Profiling and Quantification of Carboxyl Metabolites","authors":"Xin Tao,&nbsp;Min Ren,&nbsp;Tao Zhang,&nbsp;Hou-Kai Li,&nbsp;Jian-Bo Wan","doi":"10.1021/acs.analchem.6c05924","DOIUrl":"10.1021/acs.analchem.6c05924","url":null,"abstract":"<p>Carboxyl-containing metabolites are involved in diverse biological processes and are closely associated with metabolic diseases. However, their sensitive and reliable profiling by liquid chromatography−mass spectrometry (LC−MS) remains challenging because of low endogenous abundance, inefficient electrospray ionization, and substantial interference from complex biological matrices. Here, we developed a click chemistry-enabled enrichment (CCEE) strategy that integrates isotope-coded derivatization with chemoselective enrichment for sensitive and selective profiling and quantification of carboxyl-containing metabolites in biological samples. CCEE markedly improved detection sensitivity and chromatographic performance while effectively reducing matrix interference. The method also exhibited good linearity, reproducibility, and quantitative accuracy. Application of CCEE to human serum enabled broad profiling of the carboxyl submetabolome and revealed metabolic alterations associated with metabolic dysfunction-associated fatty liver disease (MAFLD). Targeted absolute quantification of representative metabolites further validated the observed alterations. Notably, serum bilirubin levels were significantly lower in individuals with MAFLD and strongly correlated with multiple clinical indicators. Overall, CCEE provides a sensitive and selective strategy for profiling and quantifying the carboxyl submetabolome, facilitating the investigation of metabolic dysregulation and the discovery of candidate biomarkers for metabolic diseases.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"98 44","pages":"31846–31854"},"PeriodicalIF":7.3,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209453","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
When Two Interfaces Meet: A Unified Theory for Thin-Membrane Voltammetric Ion Selective Electrodes 当两个界面相遇:薄膜伏安离子选择电极的统一理论
IF 7.3 1区 化学
Analytical Chemistry Pub Date : 2026-11-10 Epub Date: 2026-10-16 DOI: 10.1021/acs.analchem.6c03127
Javier López-Asanza, Edward Zamudio, Angela Molina, Gastón A. Crespo, María Cuartero, Eduardo Laborda
{"title":"When Two Interfaces Meet: A Unified Theory for Thin-Membrane Voltammetric Ion Selective Electrodes","authors":"Javier López-Asanza,&nbsp;Edward Zamudio,&nbsp;Angela Molina,&nbsp;Gastón A. Crespo,&nbsp;María Cuartero,&nbsp;Eduardo Laborda","doi":"10.1021/acs.analchem.6c03127","DOIUrl":"10.1021/acs.analchem.6c03127","url":null,"abstract":"<p>Voltammetric solid-contact ion-selective electrodes (SC-ISEs) exhibit electrochemical responses that arise from the coupling of heterogeneous electron transfer at the electrode−membrane interface with ion transfer at the membrane−sample boundary. In this work, a novel theoretical framework is developed for voltammetric SC-ISEs based on thin membranes, capturing the intrinsic consequences of coupling two polarized interfaces in series under markedly different mass-transport conditions in the membrane and solution phases. The theory describes the current/charge−potential−time responses and the corresponding interfacial potentials and dynamic ion and redox-species concentrations, accounting for the effects of membrane and solution composition, membrane thickness, and experimental timescale. Besides, the theory enables quantitative analysis of experimental voltammetric outcomes. A systematic classification of cyclic voltammetry (CV) responses is obtained in terms of three dimensionless parameters that quantify ion availability in the sample solution relative to the confined membrane. Simple relationships for peak positions and practical diagnostic criteria based on CV shape and scan-rate dependence are derived to verify thin-membrane conditions and the absence of kinetic or ohmic limitations, identifying indeed whether charge compensation proceeds via ion release or uptake.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"98 44","pages":"30348–30358"},"PeriodicalIF":7.3,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149209963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Synergistic Integration of Water-Stable 2D Perovskite Heterojunctions and Self-Priming DNA Walkers for Sensitive Photoelectrochemical Biosensing 水稳定的二维钙钛矿异质结和自吸DNA助行器的协同集成用于敏感的光电化学生物传感
IF 7.3 1区 化学
Analytical Chemistry Pub Date : 2026-11-10 Epub Date: 2026-10-16 DOI: 10.1021/acs.analchem.6c05016
Chaomin Gao, Haihan Yu, Shenguang Ge, Jinghua Yu
{"title":"Synergistic Integration of Water-Stable 2D Perovskite Heterojunctions and Self-Priming DNA Walkers for Sensitive Photoelectrochemical Biosensing","authors":"Chaomin Gao,&nbsp;Haihan Yu,&nbsp;Shenguang Ge,&nbsp;Jinghua Yu","doi":"10.1021/acs.analchem.6c05016","DOIUrl":"10.1021/acs.analchem.6c05016","url":null,"abstract":"<p>Two-dimensional Ruddlesden−Popper (2D RP) perovskites hold immense promise as light-harvesting photoactive materials for photoelectrochemical (PEC) bioanalysis, yet their poor aqueous durability and suboptimal charge-carrier dynamics severely restrict PEC sensing implementation. Herein, we report a dual-functional strategy that simultaneously addresses both challenges through the in-situ construction of a Z-scheme heterojunction, (BA)<sub>2</sub>PbI<sub>4</sub>−Pb(OH)<sub>2</sub> (BA = butylammonium), via Lewis base vapor diffusion. The Pb(OH)<sub>2</sub> barrier formed during synthesis acts as a robust protective shield that preserves the perovskite’s structural integrity, while the intimate Z-scheme heterointerface constructed in the heterojunction remains functional and continues to accelerate spatial charge separation even after three years of immersion in ultrapure water, as corroborated by electron paramagnetic resonance spectroscopy, photo-assisted Kelvin probe force microscopy, and density functional theory calculations. To further amplify the PEC signal, we engineer a circular DNA scaffold-supported tripedal DNA walker powered by self-priming polymerization, eliminating the requirement for exogenous primers in traditional polymerase-driven DNA nanomachines. Target-triggered autonomous walking of the tripedal DNA nanomachine continuously disassembles surface-tethered hairpin tracks, drastically mitigating interfacial steric hindrance and yielding prominent photocurrent enhancement. Synergizing the ultra-stable Z-scheme RP perovskite photoelectrode with the primer-free DNA walker, the integrated PEC sensing platform achieves ultrasensitive quantification of acetamiprid with a wide linear range spanning 10<sup>−13</sup> to 10<sup>−6</sup> M. This work establishes a new paradigm for rationally designing aqueous-stable perovskites and coupling them with intelligent molecular devices, paving the way for high-performance PEC sensing platforms.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"98 44","pages":"31328–31337"},"PeriodicalIF":7.3,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149210006","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Instrument-Agnostic Machine Learning Framework for Accurate Prediction of Functional Groups from Tandem Mass Spectrometry 从串联质谱准确预测官能团的仪器不可知机器学习框架
IF 7.3 1区 化学
Analytical Chemistry Pub Date : 2026-11-10 Epub Date: 2026-10-18 DOI: 10.1021/acs.analchem.5c05945
Connor Beveridge, Prageeth R. Wijewardhane, Matthew Muhoberac, Nicolás M. Morato, Andreas Kaerner, Li-Kang Zhang, Douglas Richardson, Ayanna Shoulds, Jeffrey R. Gilbert, Christopher J. Welch, Shane Tichy, Gaurav Chopra
{"title":"Instrument-Agnostic Machine Learning Framework for Accurate Prediction of Functional Groups from Tandem Mass Spectrometry","authors":"Connor Beveridge,&nbsp;Prageeth R. Wijewardhane,&nbsp;Matthew Muhoberac,&nbsp;Nicolás M. Morato,&nbsp;Andreas Kaerner,&nbsp;Li-Kang Zhang,&nbsp;Douglas Richardson,&nbsp;Ayanna Shoulds,&nbsp;Jeffrey R. Gilbert,&nbsp;Christopher J. Welch,&nbsp;Shane Tichy,&nbsp;Gaurav Chopra","doi":"10.1021/acs.analchem.5c05945","DOIUrl":"10.1021/acs.analchem.5c05945","url":null,"abstract":"<p>Structural elucidation of unknown compounds using tandem mass spectrometry (MS/MS) is an ongoing challenge. Expert chemists will often use common product ion peaks and neutral losses or peak matching software to predict structural aspects from MS/MS spectra, a process which is time consuming and limited by the molecular entries in the database. We introduce an instrument-agnostic machine learning (ML) framework that predicts functional groups directly from MS/MS spectra, eliminating the need for conventional database searches. The ML models are trained on data from different sources, the MassBank of North America (MONA), a public database, and a custom MS/MS database acquired using a single high throughput desorption electrospray ionization (DESI) MS/MS platform to showcase transferability of model predictions independent of instrument acquisition. Additionally, a novel spectral representation is developed for ML use by standardizing the spectra to the precursor ion <em>m/z</em>. We utilized molecular metrics, specifically, average molecular F1 score of 87% (MONA) and 76% (DESI) and average molecular accuracy of 94% (MONA) and 87% (DESI), indicating similar model performance when trained on different databases to validate the ML framework. To further illustrate the robustness and transferability of our ML framework, models trained on DESI-generated data successfully predicted functional groups, using spectral data generated from a blind test set of molecules using two different company laboratories using distinct mass spectrometry instruments (Orbitrap and TOF) operated in positive-ion mode electrospray ionization. We believe that such an approach, where models trained on data from one instrument can reliably make accurate predictions on spectra acquired using different instruments in a database-free manner, will significantly expand the practical applications of ML to mass spectrometry.</p>","PeriodicalId":27,"journal":{"name":"Analytical Chemistry","volume":"98 44","pages":"30122–30131"},"PeriodicalIF":7.3,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149210136","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Topology-Dependent Mechanical Failure of Knotted Polymer Chains from Reactive Molecular Dynamics 从反应分子动力学看结聚合物链拓扑相关的机械失效
IF 5.7 1区 化学
Macromolecules Pub Date : 2026-11-10 Epub Date: 2026-10-27 DOI: 10.1021/acs.macromol.6c01298
Zhirui Xiang, Tianhang Zhou, Francesco Zonta, Zhenghao Wu
{"title":"Topology-Dependent Mechanical Failure of Knotted Polymer Chains from Reactive Molecular Dynamics","authors":"Zhirui Xiang,&nbsp;Tianhang Zhou,&nbsp;Francesco Zonta,&nbsp;Zhenghao Wu","doi":"10.1021/acs.macromol.6c01298","DOIUrl":"10.1021/acs.macromol.6c01298","url":null,"abstract":"<p>Long polymer chains are inevitably tangled in knots that compromise their mechanical strength, yet how knot complexity governs the molecular rupture mechanism remains poorly understood. Here, we study the mechanical failure of single polyethylene chains bearing knots of varying complexity (3–7 crossings) using reactive molecular dynamics simulations across multiple pulling rates. We identify a consistent three-stage failure mechanism comprising entropy-driven tightening, enthalpy-driven tightening, and bond rupture. The breaking force follows a stretched exponential decay with knot complexity, while the elastic modulus grows exponentially; topological confinement therefore plays two competing roles. Analysis of bond-breaking locations indicates a gradual crossover in the failure mechanism: knots with lower minimum crossing number (3<sub>1</sub>, 4<sub>1</sub>) break predominantly at the knot entrance/exit, whereas knots with higher minimum crossing number (7<sub>1</sub>) rupture within the densely packed core. Bond angle analysis shows that the geometric distinction between entrance and core regions diminishes with increasing minimum crossing number, providing a structural rationale for the boundary-to-core shift and demonstrating that knot topology offers a tunable handle on both polymer strength and stiffness.</p>","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"59 21","pages":"12138–12146"},"PeriodicalIF":5.7,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149251045","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
Ordering Dynamics of Cylinder-Forming AB Diblock Copolymers under Triangular Confinement 三角形约束下AB双嵌段共聚物的有序动力学
IF 5.7 1区 化学
Macromolecules Pub Date : 2026-11-10 Epub Date: 2026-10-31 DOI: 10.1021/acs.macromol.6c01943
Lei Huang, Qiancheng Li, Tao Yang, Ruifang Cao, Qingliang Song, Weihua Li
{"title":"Ordering Dynamics of Cylinder-Forming AB Diblock Copolymers under Triangular Confinement","authors":"Lei Huang,&nbsp;Qiancheng Li,&nbsp;Tao Yang,&nbsp;Ruifang Cao,&nbsp;Qingliang Song,&nbsp;Weihua Li","doi":"10.1021/acs.macromol.6c01943","DOIUrl":"10.1021/acs.macromol.6c01943","url":null,"abstract":"<p>Previous studies have shown that the thermodynamic equilibrium structure of cylinder-forming AB diblock copolymer thin films under the lateral confinement of regular triangles with neutral top and bottom surfaces is always perfectly hexagonally arranged perpendicular cylinders. However, for practical applications, a more critical question is whether these perfect hexagonal patterns can be kinetically realized within a reasonably short annealing time. In this work, we employ coarse-grained dissipative particle dynamics simulations to investigate the self-assembly of cylinder-forming diblock copolymers under regular triangular confinement, aiming to determine the size window for achieving perfect hexagonal cylindrical patterns within a given short simulation time. Our results show that when the side length of the triangle, <em>L</em>, is small, with no more than 7 cylinders along each side, perfect hexagonal patterns are always obtained. As <em>L</em> increases such that the number of cylinders per side ranges from 8 to 15, the <em>L</em> window for each hexagonal pattern remains wide, and defects only emerge near the boundaries between two adjacent windows, primarily due to the formation of different numbers of cylinders along different triangular sides. For even larger <em>L</em>, with up to 19 cylinders per side, a notable <em>L</em> window for perfect hexagonal patterns still persists. By mapping the single-chain diffusion time between simulation and experiment, the simulation times chosen in our work are estimated to correspond to very short annealing times in experiments. Our work demonstrates that triangular confinement can rapidly direct cylinder-forming block copolymers to self-assemble into perfectly hexagonally arranged perpendicular cylinders over a wide range of <em>L</em>, providing a simple strategy for the fabrication of large-scale ordered hexagonal patterns.</p>","PeriodicalId":51,"journal":{"name":"Macromolecules","volume":"59 21","pages":"12577–12588"},"PeriodicalIF":5.7,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149304209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":1,"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
MXene–Transition Metal Dichalcogenide Hybrid Flexible Piezoelectric Nanogenerators for Self-Powered Systems: From Materials Engineering to Device Architectures 用于自供电系统的mxene -过渡金属二硫化物混合柔性压电纳米发电机:从材料工程到器件架构
IF 4.7 3区 材料科学
ACS Applied Electronic Materials Pub Date : 2026-11-10 Epub Date: 2026-10-27 DOI: 10.1021/acsaelm.6c01064
Abhay Singh Rana, Manisha Sharma, Deepak Kumar, Omkar Pawar, Binay Kumar, Sooman Lim, Sanjeev Kumar Sharma
{"title":"MXene–Transition Metal Dichalcogenide Hybrid Flexible Piezoelectric Nanogenerators for Self-Powered Systems: From Materials Engineering to Device Architectures","authors":"Abhay Singh Rana,&nbsp;Manisha Sharma,&nbsp;Deepak Kumar,&nbsp;Omkar Pawar,&nbsp;Binay Kumar,&nbsp;Sooman Lim,&nbsp;Sanjeev Kumar Sharma","doi":"10.1021/acsaelm.6c01064","DOIUrl":"https://doi.org/10.1021/acsaelm.6c01064","url":null,"abstract":"<p>Growing need for sustainable and autonomous energy solutions has accelerated the advancement of piezoelectric nanogenerator (PENG)-driven self-powered systems. Two-dimensional (2D) materials, particularly MXenes and transition metal dichalcogenides (TMDs), have gained considerable interest because their structural flexibility, tunable surface chemistry, and strong interfacial interactions collectively enhance piezoelectric performance under low-frequency mechanical stimuli. This review systematically discusses recent progress in MXene and TMD-based hybrid flexible PENGs, spanning materials engineering, device architecture, and application-oriented system integration. It emphasizes the correlation between material design and performance, highlighting strategies such as defect engineering, phase modulation, surface functionalization, and interface engineering to improve polarization behavior, charge transport, and energy conversion efficiency. The paper critically analyzes key limitations in practical operation, including oxidation instability, charge screening, leakage pathways, and long-term mechanical degradation. The review further examines advances in flexible architectures and system-level integration, highlighting the role of hybrid PENGs in wearable health monitoring, human-machine interfaces, smart sensors, industrial diagnostics, Internet of Things (IoT), and robotics. Future opportunities are outlined emphasizing scalable fabrication, environmental stability, power-management integration, and reliability validation to accelerate the transition of MXene–TMD flexible PENGs from laboratory prototypes to practical self-powered systems.</p>","PeriodicalId":3,"journal":{"name":"ACS Applied Electronic Materials","volume":"8 21","pages":"9200–9241"},"PeriodicalIF":4.7,"publicationDate":"2026-11-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149368437","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","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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