ACS Nanoscience Au最新文献

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Direct Observation of Tantalum Nitride Photoelectrode Degradation by Environmental Transmission Electron Microscopy 环境透射电镜直接观察氮化钽光电极降解
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-09-26 DOI: 10.1021/acsnanoscienceau.6c00123
Annett Th⌀gersen, Shima Kadkhodazadeh, Michael Stanislaus Seifner, Monia Runge Nielsen, Ingvild J. T. Jensen, Martin Fleissner Sunding, Ingeborg-Helene Svenum, Mathieu Grandcolas, Øystein Dahl, Murat Nulati Yesibolati, Thomas Willum Hansen, Athanasios Chatzitakis
{"title":"Direct Observation of Tantalum Nitride Photoelectrode Degradation by Environmental Transmission Electron Microscopy","authors":"Annett Th⌀gersen,&nbsp;Shima Kadkhodazadeh,&nbsp;Michael Stanislaus Seifner,&nbsp;Monia Runge Nielsen,&nbsp;Ingvild J. T. Jensen,&nbsp;Martin Fleissner Sunding,&nbsp;Ingeborg-Helene Svenum,&nbsp;Mathieu Grandcolas,&nbsp;Øystein Dahl,&nbsp;Murat Nulati Yesibolati,&nbsp;Thomas Willum Hansen,&nbsp;Athanasios Chatzitakis","doi":"10.1021/acsnanoscienceau.6c00123","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00123","url":null,"abstract":"<p>Stabilityunder realisticoperating conditions remains a criticalchallenge for photoelectrochemical (PEC) materials in solar fuel production,where photocorrosion often leads to rapid performance degradation.In particular, the formation of insulating amorphous TaO<sub><em>x</em></sub>/Ta(O,N)<sub><em>x</em></sub> surface interphasesis widely recognized as a key factor limiting charge transfer andphotocurrent stability in Ta<sub>3</sub>N<sub>5</sub> photoanodes.Addressing this challenge requires experimental approaches capableof probing dynamic processes at the atomic level under relevant operatingconditions. Here, we develop an <em>in situ</em> environmentaltransmission electron microscopy (ETEM) platform that integrates simultaneouslight illumination, electrical biasing, and controlled water vaporexposure within a commercially available chip, supplemented with acustomized optical add-on. This multistimulus configuration enablesreal-time atomic-scale imaging of PEC materials under conditions closelyresembling operation. Applying this platform to Ta<sub>3</sub>N<sub>5</sub>, we directly capture its structural evolution under combinedstimuli and reveal a previously unresolved degradation pathway involvingnanocrystal detachment, migration, and inward-propagating amorphization.These processes lead to the growth of amorphous surface layers thatare directly associated with performance loss in operating photoanodes.More broadly, this work establishes a mechanistic framework linkingnanoscale structural transformations to macroscopic device degradation,providing concrete targets for stabilization strategies in Ta<sub>3</sub>N<sub>5</sub> and related metastable PEC materials. In addition,the results demonstrate the broader potential of multistimulus ETEMfor investigating complex degradation phenomena in functional energymaterials.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"1021–1028"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233435","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Electron-Beam-Conditioned Magnetic-Dipole Emission in Cathodoluminescence 阴极发光中的电子束条件磁偶极子发射
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-07-07 DOI: 10.1021/acsnanoscienceau.6c00074
Gour Mohan Das, Kameyab Raza Abidi, Govindan Vadivel
{"title":"Electron-Beam-Conditioned Magnetic-Dipole Emission in Cathodoluminescence","authors":"Gour Mohan Das,&nbsp;Kameyab Raza Abidi,&nbsp;Govindan Vadivel","doi":"10.1021/acsnanoscienceau.6c00074","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00074","url":null,"abstract":"<p>Accessing the magnetic-dipole(MD) optical response innanoscalestructures is a longstanding goal in photonics because magnetic modesenable low-loss and interference-rich control of light. In practice,MD signatures are often mixed with electric dipole and higher-orderradiation, making selective radiative emission difficult. Here weshow that aloof fast-electron cathodoluminescence (CL) provides anelectron-beam-conditioned route to MD-dominated emission from core–shellnanoparticles. Through multipolar CL analysis, guided synthetic indexdesign, and real-material refinement, we identify conditions underwhich the MD becomes the dominant radiative channel in CL. The beam-conditionedoptimum differs from the conventional optical plane-wave benchmark,showing that electron-beam excitation can access nanoparticle modestructure in a distinct way. These results connect ideal magnetic-dipolescattering concepts to aloof-electron cathodoluminescence and providea design route for identifying magnetic-dipole-favored radiative emissionfrom core–shell Mie resonators.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"903–912"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
In Situ TEM Observation of the Coalescence between Immiscible Au and Rh Nanoparticles to Form AuRh Heterostructures 不混溶的Au和Rh纳米颗粒聚结形成AuRh异质结构的原位透射电镜观察
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-09-02 DOI: 10.1021/acsnanoscienceau.6c00086
Yufan Zhou, Wenxin Wen, Shiqi Yang, Xianzhuo Lao, Jie Liu, Fan Zhu, Pengcheng Xu, Peng-Cheng Chen
{"title":"In Situ TEM Observation of the Coalescence between Immiscible Au and Rh Nanoparticles to Form AuRh Heterostructures","authors":"Yufan Zhou,&nbsp;Wenxin Wen,&nbsp;Shiqi Yang,&nbsp;Xianzhuo Lao,&nbsp;Jie Liu,&nbsp;Fan Zhu,&nbsp;Pengcheng Xu,&nbsp;Peng-Cheng Chen","doi":"10.1021/acsnanoscienceau.6c00086","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00086","url":null,"abstract":"<p>The performance of heterostructured nanoparticles acrossdiverseapplications is closely related to the structure of their interfaces,yet how lattice mismatch and thermodynamic miscibility dictate theassembly of monometallic nanoparticle to form bimetallic interfacesis not well understood. In this study, we combined in situ transmissionelectron microscopy and molecular dynamics simulations to investigatethe collision dynamics of immiscible Au and Rh nanoparticles. It isfound that the interfacial structure between Au and Rh is highly sensitiveto the local environment of nanoparticle collision. The collisionbetween individual Au and Rh nanoparticles favors the formation oflattice-coherent and defect-free interfaces through rotational alignmentof the nanoparticles. This oriented attachment, observed along (111),(100), or (110) facets, is thermodynamically driven by the minimizationof the interfacial energy. In particular, the coherent Au–Rhinterfaces show significantly lower energy and strain compared withthat of noncoherent Au–Rh interfaces, as confirmed by moleculardynamics simulations. In contrast, multinanoparticle collisions introducespatial constraints that suppress rotational freedom of the monometallicnanoparticles, creating kinetically trapped noncoherent heterostructureswith strains and rich defects at the interfaces. The results unravelthe thermodynamic and kinetic factors that dictate the growth pathwaysof bimetallic heterostructures, providing guidance for the constructionof nanoparticles with controlled phase boundaries.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"944–953"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233499","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Design Rules for Bimetallic and Multimetallic Nanocatalysts Harnessing Synergistic Effects for Alkaline Hydrogen Oxidation 利用协同效应的双金属和多金属纳米催化剂在碱性氢氧化中的设计规则
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-07-06 DOI: 10.1021/acsnanoscienceau.6c00055
Yun-Shan Tsai, Shang-Cheng Lin, Cheng-Yu Wu, Tung-Han Yang
{"title":"Design Rules for Bimetallic and Multimetallic Nanocatalysts Harnessing Synergistic Effects for Alkaline Hydrogen Oxidation","authors":"Yun-Shan Tsai,&nbsp;Shang-Cheng Lin,&nbsp;Cheng-Yu Wu,&nbsp;Tung-Han Yang","doi":"10.1021/acsnanoscienceau.6c00055","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00055","url":null,"abstract":"<p>Anion-exchange membrane fuel cells offer a promisingroute forhydrogen-to-electricity conversion under alkaline conditions, yetthe anode hydrogen oxidation reaction (HOR) remains kinetically sluggish.This Review summarizes key mechanistic views of alkaline HOR, includinghydrogen binding, hydroxyl binding, bifunctional effects, and emergingroles of interfacial water and solvation. We highlight experimentaltools, such as electrochemical adsorption probes and operando vibrationaland X-ray spectroscopies, that reveal potential-dependent surfacestates and interfacial species. We also discuss theoretical approaches,including density functional theory and data-driven models, for evaluatingensemble effects and elementary reaction barriers. Building on theseinsights, we outline catalyst design principles for bimetallic andmultimetallic nanocatalysts, including high-entropy alloys, emphasizingadsorption-strength tuning, ensemble control, and poisoning tolerance.These discussions provide a basis for rational catalyst optimizationunder practical alkaline fuel-cell conditions. Finally, we proposesix future directions to bridge mechanistic understanding and practicalcatalyst development for durable, device-relevant alkaline HOR catalysts.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"727–759"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233268","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Antibody Binding to Peptide Conjugated Gold Nanoparticles Preferring Dense Antigen Coating with Small Deflection Angle 抗体结合肽偶联金纳米颗粒倾向于小偏转角致密抗原包被
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-07-07 DOI: 10.1021/acsnanoscienceau.6c00049
Xinyu Ning, Yuan Guo, Dejian Zhou
{"title":"Antibody Binding to Peptide Conjugated Gold Nanoparticles Preferring Dense Antigen Coating with Small Deflection Angle","authors":"Xinyu Ning,&nbsp;Yuan Guo,&nbsp;Dejian Zhou","doi":"10.1021/acsnanoscienceau.6c00049","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00049","url":null,"abstract":"<p>Antibody–antigen interactions are fundamentalto immunedefenses against pathogen infection, where antibody binding affinityand mode control functional outcomes. While literature show optimalIgG binding on flat surfaces occurring at relatively large interantigendistances (<em>d</em> ≈ 10–16 nm), how nanoscalecurvature affects IgG binding remains unclear. Here, we present amodel antigen–nanoparticle system by displaying varying densitiesof His<sub>6</sub> peptides on gold nanoparticles (GNPs). Using GNPs’nanoscale size and strong fluorescence-quenching capability, we probetheir binding with anti-His antibody via dynamic light scattering(DLS) and GNP-based fluorescence quenching assays. We find that DLSdetects only stable, chelative complexes, whereas the GNP quenchingassay captures both stable and dynamic interactions and quantifiestheir affinities. We show that antibody binding is highly sensitiveto antigen density: reducing His<sub>6</sub> density from 10% to 2%(<em>d</em> increasing from ∼3.3 to ∼6.3 nm)weakens affinity by over 120-fold. For antigen–GNP conjugateswith <em>d</em> values within the antibody’s accessiblespacing range, the antigen deflection angle θ dominates bindingbehavior: θ ≤ 16° favors strong chelative binding,whereas θ ≥ 37° permits mainly weak monovalent binding.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"857–862"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233269","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Crystal Phase Engineering and Light Emission from 4H-SiGe Nanowires 4H-SiGe纳米线的晶体相位工程和光发射
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-08-19 DOI: 10.1021/acsnanoscienceau.6c00062
Riccardo Farina, Hafssa Ameziane, Victor van Lange, Pedro Borlido, Gilles Patriarche, Charles Renard, Erik P. A. M. Bakkers, Silvana Botti, Laetitia Vincent, Jos E. M. Haverkort
{"title":"Crystal Phase Engineering and Light Emission from 4H-SiGe Nanowires","authors":"Riccardo Farina,&nbsp;Hafssa Ameziane,&nbsp;Victor van Lange,&nbsp;Pedro Borlido,&nbsp;Gilles Patriarche,&nbsp;Charles Renard,&nbsp;Erik P. A. M. Bakkers,&nbsp;Silvana Botti,&nbsp;Laetitia Vincent,&nbsp;Jos E. M. Haverkort","doi":"10.1021/acsnanoscienceau.6c00062","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00062","url":null,"abstract":"<p>Silicon germanium (SiGe) semiconductors are driving ourmodernsociety based on electronic processing devices. However, the inherentindirect bandgap alignment of SiGe prohibits efficient light emission.Crystal phase engineering of SiGe semiconductors allows for directbandgap hexagonal 2H, 4H, and 6H polytypes. Here, we report the growthof 4H-Ge and 4H-SiGe nanowires with high crystal phase purity. Weexploit crystal structure transfer by epitaxial growth of 4H-SiGenanowires on a 4H-ZnS substrate. Although theory predicts that 4H-Geexhibits a parity-forbidden fundamental transition, we report directbandgap light emission from both 4H-Ge and 4H-SiGe nanowires, as wellas tunability of the emission wavelength with composition. We findeffective recombination lifetimes of 55 and 400 μs for 4H-Geand 4H-Si<sub>0.2</sub>Ge<sub>0.8</sub>, respectively. We finallyobserve excellent agreement between <em>ab initio</em> densityfunctional theory and experiment on the bandgap and the radiativelifetimes of the 4H-SiGe alloys.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"895–902"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Universal Computational Super-Resolution Framework for Imaging of Quantum Dots 量子点成像的通用计算超分辨率框架
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-08-05 DOI: 10.1021/acsnanoscienceau.5c00198
Dominik Vašinka, Jaewon Lee, Charlie Stalker, Victor Mitryakhin, Ivan Solovev, Sven Stephan, Sven Höfling, Falk Eilenberger, Seth Ariel Tongay, Christian Schneider, Miroslav Ježek, Ana Predojević
{"title":"Universal Computational Super-Resolution Framework for Imaging of Quantum Dots","authors":"Dominik Vašinka,&nbsp;Jaewon Lee,&nbsp;Charlie Stalker,&nbsp;Victor Mitryakhin,&nbsp;Ivan Solovev,&nbsp;Sven Stephan,&nbsp;Sven Höfling,&nbsp;Falk Eilenberger,&nbsp;Seth Ariel Tongay,&nbsp;Christian Schneider,&nbsp;Miroslav Ježek,&nbsp;Ana Predojević","doi":"10.1021/acsnanoscienceau.5c00198","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.5c00198","url":null,"abstract":"<p>We present a universal deep learning method that reconstructssuper-resolvedimages of quantum emitters from a single camera frame measurement.Trained on physics-based synthetic data spanning diverse point-spreadfunctions, aberrations, and noise, the network generalizes acrossexperimental conditions without system-specific retraining. We validatethe approach on low- and high-density In(Ga)As quantum dots and strain-induceddots in 2D monolayer WSe<sub>2</sub>, resolving overlapping emitterseven under low signal-to-noise ratios and inhomogeneous backgrounds.By eliminating calibration and iterative acquisitions, this single-shotstrategy enables rapid, robust computational super-resolution fornanoscale characterization and quantum-photonic device fabrication.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"842–849"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Lipid Nanoparticles at the Crossroads of Chemistry and Medicine: A Tutorial 脂质纳米颗粒在化学和医学的十字路口:教程
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-09-28 DOI: 10.1021/acsnanoscienceau.6c00096
Myxie Tana Rogado, Audrey Wang, Sophia Zeng, Zhenghe Wang, Clemens Burda
{"title":"Lipid Nanoparticles at the Crossroads of Chemistry and Medicine: A Tutorial","authors":"Myxie Tana Rogado,&nbsp;Audrey Wang,&nbsp;Sophia Zeng,&nbsp;Zhenghe Wang,&nbsp;Clemens Burda","doi":"10.1021/acsnanoscienceau.6c00096","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00096","url":null,"abstract":"<p>Lipid nanoparticles (LNPs) have risen to the forefrontof moderntherapeutics by enabling the clinical success of COVID-19 mRNA vaccines.In order for them to function as drug delivery vesicles, LNPs musthave scalable, tunable, and targeted nanoscale platforms whose strengthsin versatility, performance, and clinical relevance are driven bykey design parameters and formulation strategies. This Tutorial Reviewtraces the historical evolution of LNPs and examines the fundamentaldesign principles governing their structure, physicochemical properties,and biological behavior. It further highlights modern analytical characterizationtechniques that have advanced mechanistic understanding of LNP composition,morphology, and function as well as targeting strategies to improveLNP delivery to extrahepatic sites. Current translational challengesand emerging advances are also discussed. This Tutorial Review providesa framework for understanding the foundations, current landscape,and future directions of LNP research.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"821–841"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233452","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polymer-Directed Self-Assembly of BCNO Nanoparticles for Efficient Boron Utilization in Boron Neutron Capture Therapy 聚合物定向自组装BCNO纳米颗粒用于硼中子捕获治疗中硼的高效利用
IF 7.5
ACS Nanoscience Au Pub Date : 2026-10-21 Epub Date: 2026-09-26 DOI: 10.1021/acsnanoscienceau.6c00088
Wei-Hsin Chan, Lu-Ang Chen, Wei-Yuan Huang, Lin-Sheng Yu, Tzu-Chieh Sun, Fang-Hsin Chen, Chi-Shuo Chen, Tzu-Wei Wang, Pei-Yuin Keng
{"title":"Polymer-Directed Self-Assembly of BCNO Nanoparticles for Efficient Boron Utilization in Boron Neutron Capture Therapy","authors":"Wei-Hsin Chan,&nbsp;Lu-Ang Chen,&nbsp;Wei-Yuan Huang,&nbsp;Lin-Sheng Yu,&nbsp;Tzu-Chieh Sun,&nbsp;Fang-Hsin Chen,&nbsp;Chi-Shuo Chen,&nbsp;Tzu-Wei Wang,&nbsp;Pei-Yuin Keng","doi":"10.1021/acsnanoscienceau.6c00088","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00088","url":null,"abstract":"<p>Boron carbon oxynitride(BCNO) nanoparticles are attractive boron-richagents for boron neutron capture therapy (BNCT), yet their polymer-directedself-assembly, structural regulation, and delivery–functionrelationships remain insufficiently explored. Here, we report a stimuli-responsivepolymer–BCNO nanoassembly, mPEG/PS-<em>b</em>-PEI@BCNO,that integrates macromolecular self-assembly with efficient boronutilization for BNCT against pancreatic cancer. The amphiphilic mPEG/PS-<em>b</em>-PEI copolymer was constructed by coupling methoxy poly(ethyleneglycol) (mPEG), polystyrene (PS), and poly(ethylenimine) (PEI) throughacid-labile Schiff-base linkages. Electrostatic complexation betweennegatively charged BCNO nanoparticles and cationic PEI, combined withsolvent-driven amphiphilic assembly, generated spherical nanoassemblieswith tunable morphology, size, and surface charge. Systematic variationof the mPEG/PS ratio revealed that the hydrophobic–hydrophilicbalance of the copolymer governs BCNO packing and nanoassembly formation.The optimized mPEG/PS-<em>b</em>-PEI@BCNO nanoassemblies exhibiteda uniform diameter of approximately 61 nm, positive surface charge,PEG-mediated colloidal stabilization, and acid-triggered disassemblyinto smaller BCNO-containing fragments under tumor-relevant acidicconditions. Despite a relatively low BCNO content of approximately8 wt %, mPEG/PS-<em>b</em>-PEI@BCNO markedly improved borondelivery in UN-KC-6141 pancreatic cancer cells; the nanoassembliesachieved higher boron uptake efficiency than bare BCNO and boronophenylalanine(BPA). In 3D pancreatic tumor spheroids, mPEG/PS-<em>b</em>-PEI@BCNO delivered boron concentrations above the therapeutic thresholdfor BNCT and exhibited boron utilization efficiencies of 16.64% atpH 7.4 and 10.89% at pH 6.5. Under equivalent <sup>10</sup>B dosing,the nanoassemblies produced the strongest BNCT response in 3D spheroids,inducing approximately 52% cell death and significantly outperformingbare BCNO and BPA. These findings demonstrate that polymer-controllednanoassembly architecture enhances boron utilization without relyingsolely on high intrinsic boron loading, establishing a design frameworkfor the next-generation BNCT nanodrugs.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 5","pages":"954–975"},"PeriodicalIF":7.5,"publicationDate":"2026-10-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149233434","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Machine Learning-Enhanced Molecular Dynamics of 4,4′-Bipyridine in a Break Junction: A Supramolecular Origin of the High Conductance 机器学习增强的4,4 ' -联吡啶在断裂结中的分子动力学:高电导的超分子起源
IF 7.5
ACS Nanoscience Au Pub Date : 2026-08-19 Epub Date: 2026-05-26 DOI: 10.1021/acsnanoscienceau.6c00052
William Bro-Jørgensen, Junfeng Lin, Joseph M. Hamill, Gemma C. Solomon
{"title":"Machine Learning-Enhanced Molecular Dynamics of 4,4′-Bipyridine in a Break Junction: A Supramolecular Origin of the High Conductance","authors":"William Bro-Jørgensen,&nbsp;Junfeng Lin,&nbsp;Joseph M. Hamill,&nbsp;Gemma C. Solomon","doi":"10.1021/acsnanoscienceau.6c00052","DOIUrl":"https://doi.org/10.1021/acsnanoscienceau.6c00052","url":null,"abstract":"<p>In single-moleculeelectronics, 4,4′-bipyridine is a well-characterizedmolecule that serves both as a fundamental testbed for developingexperimental methodologies and showcases the complex behaviors expectedfrom molecular electronic components. In break junction experiments,it is generally understood to exhibit a high- and a low-conductancestate that are attributed to a tilted and stretched single-moleculeconfiguration. Despite this established view, we suggest a supramolecularorigin for these conductance states that has not previously been considered.Our findings indicate that the high- and low-conductance states mayarise from the presence of two molecules and one molecule, respectively,challenging the conventional interpretation. Using a state-of-the-artmachine learning force field called the neuroevolution potential,we find that the conventional interpretation of a tilted and stretchedconfiguration is inconsistent with our simulations. Instead, our resultssuggest that the presence of two molecules promotes junction geometriesand gold rearrangements that stabilize a high-conductance state whosetransmission exceeds twice that of the low-conductance state. Furthermore,we compare this interpretation to the existing literature of diverseexperimental data on 4,4′-bipyridine in break junctions andfind that it is consistent with the broader body of experimental evidence.Our results highlight the structural complexity of molecular behaviorwithin break junctions, suggesting even more complex dynamics thanoriginally anticipated. In this light, a broader examination of thedynamics of molecules in single-molecule break junctions with machinelearning-assisted molecular dynamics is warranted.</p>","PeriodicalId":29799,"journal":{"name":"ACS Nanoscience Au","volume":"6 4","pages":"662–673"},"PeriodicalIF":7.5,"publicationDate":"2026-08-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148769828","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","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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