Small Methods最新文献_第8页

Confined Electrochemiluminescence Generation From Individual Molecular Crystals Assembled via the Coffee-Ring Effect. 通过咖啡环效应组装的单个分子晶体产生的受限电化学发光。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-08 DOI: 10.1002/smtd.71024

Chunyan Liu, Li Shen, Weiyu Qu, Jieping Li, Yu Liu, Zhihui Dai, Weiliang Guo

{"title":"Confined Electrochemiluminescence Generation From Individual Molecular Crystals Assembled via the Coffee-Ring Effect.","authors":"Chunyan Liu, Li Shen, Weiyu Qu, Jieping Li, Yu Liu, Zhihui Dai, Weiliang Guo","doi":"10.1002/smtd.71024","DOIUrl":"10.1002/smtd.71024","url":null,"abstract":"Molecular crystals (MCs) can confine and propagate self-generated electrochemiluminescence (ECL), yet the relationship between crystal morphology and ECL performance remains largely unexplored. The main challenge lies in achieving precise morphological control. Herein, we exploit the coffee-ring effect in evaporating droplets as a spatiotemporal confinement strategy to direct the self-assembly of 9,10-bis(phenylethynyl)anthracene (BPEA) MCs. Real-time optical microscopy reveals that the coffee-ring effect generates ring-shaped deposits on the electrode surface, where crystals exhibit three distinct distribution patterns from the edge to the center, namely orderly packing at the periphery, well-separated dispersion and clustered aggregation in the inner portion. The well-separated crystals in the intermediate zone enable in situ ECL imaging of four distinct morphologies, including rod-like, etched, needle-like, and branched, within a single assembly. Notably, rod-like crystals exhibit strong waveguiding behavior with enhanced ECL emission at their terminals, whereas branched crystals show no obvious waveguiding effect. This work provides new insights into the correlation between crystal morphology and ECL performance at the single entity level.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71024"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148910342","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Rational Design and Screening of Polyhydroxy Electrolyte Additives via Artificial Intelligence Framework for Ultrastable Zinc Anodes. 基于人工智能框架的超稳定锌阳极多羟基电解质添加剂的合理设计与筛选。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-11 DOI: 10.1002/smtd.71038

Shuyu Bi, Le Zhang, Lili You, Qiangchao Sun, Tao Hu, Xionggang Lu, Hongwei Cheng

{"title":"Rational Design and Screening of Polyhydroxy Electrolyte Additives via Artificial Intelligence Framework for Ultrastable Zinc Anodes.","authors":"Shuyu Bi, Le Zhang, Lili You, Qiangchao Sun, Tao Hu, Xionggang Lu, Hongwei Cheng","doi":"10.1002/smtd.71038","DOIUrl":"10.1002/smtd.71038","url":null,"abstract":"Electrolyte additives represent a cost-effective strategy to address Zn anode interfacial instability in aqueous zinc-ion batteries (AZIBs). However, conventional experimental trial-and-error is inherently inefficient, impeding commercialization progress. Herein, we propose an artificial intelligence-driven framework to rationally design and screen electrolyte additives. A graph neural network (GNN) is constructed to simultaneously predict multiple quantum chemical properties with high accuracy, eliminating costly calculations. Crucially, through systematic analysis of a series of cyclohexanol derivatives, we propose hydroxyl mass density (HMD) as a key structural descriptor. Unlike conventional approaches focusing solely on hydroxyl number while neglecting molecular weight, HMD captures the intrinsic density of functional groups, and we reveal its strong correlations with diverse molecular properties, elucidating the underlying theoretical mechanisms. Guided by HMD, inositol (INO), exhibiting the highest HMD and most balanced property profile, is identified as the optimal additive. INO synergistically reconstructs the Zn2 + solvation sheath, preferentially adsorbs on Zn facets, retards surface migration, lowers desolvation energy, and suppresses HER and corrosion. Consequently, the INO-modified electrolyte delivers ∼4000 h Zn||Zn cycling, 99.82% CE over 3200 cycles, and 1000-cycle full-cell stability. This work establishes a closed-loop paradigm from data-driven prediction to experimental validation, offering a transferable framework for rational electrolyte design.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71038"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148954544","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Rear-Side ZnS Passivation With Spontaneous Local Point Contacts for Boosting Efficiency and Bifaciality in Ultrathin Semitransparent CuInSe₂ Solar Cells. 采用自发局部点接触后侧ZnS钝化提高超薄半透明CuInSe2太阳能电池的效率和双面性。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 DOI: 10.1002/smtd.71092

Jin Gi An, Junseop Byeon, TaeWan Kim, Joo Hyung Park

{"title":"Rear-Side ZnS Passivation With Spontaneous Local Point Contacts for Boosting Efficiency and Bifaciality in Ultrathin Semitransparent CuInSe2 Solar Cells.","authors":"Jin Gi An, Junseop Byeon, TaeWan Kim, Joo Hyung Park","doi":"10.1002/smtd.71092","DOIUrl":"https://doi.org/10.1002/smtd.71092","url":null,"abstract":"Bifacial semitransparent (BST) solar cells utilizing transparent conducting oxides are advantageous in various applications because of their controllable transparency, ease of use, and potential in bifacial power generation using the albedo effect. However, their power conversion efficiency (PCE) is limited owing to the ultrathin absorber layer, where rear-side recombination may dominate. To suppress carrier recombination at the rear-interface in ultrathin BST CuInSe2 (CISe) solar cells, a direct passivation method is demonstrated, that is, a nanoscale ZnS layer is deposited between the rear-side of the CISe absorber and an indium tin oxide (ITO) back contact using atomic layer deposition. The ZnS layer spontaneously forms localized holes by recrystallization during CISe co-evaporation, which act as local direct conduction paths from the CISe to the ITO. The PCE of the BST-CISe solar cells increases dramatically from 5.29% to 9.79% after applying the optimal 20-nm ZnS layer. In addition, the passivation layer significantly reduces rear-side carrier recombination and increases the bifaciality factor. The bifacial power-generation density with rear-side ZnS passivation increases to 11.4% and 17.8% under total illumination of 1.2 and 2.0 sun (considering the albedo effect), respectively.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71092"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149101549","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Tetrathiafulvalene Based Covalent Organic Frameworks Interface Layer for Antimony Chalcogenide Solar Cells. 基于四硫代锑太阳能电池的共价有机框架界面层。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-10 DOI: 10.1002/smtd.71033

Fuling Guo, Jing Wu, Chao Wang, Yizhu Sun, Wangchao Chen, Chengwu Shi, Wenjun Wu

引用次数: 0

Single-Atom Defects Optimize Oxygen Evolution Performance of Monolayer NiFe-Layered Double Hydroxides. 单原子缺陷优化单层nife -层双氢氧化物的析氧性能。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-07 DOI: 10.1002/smtd.71026

Le Chen, Shihang Lu, Xin Tian, Miaosen Yang, Aijuan Han, Junfeng Liu

{"title":"Single-Atom Defects Optimize Oxygen Evolution Performance of Monolayer NiFe-Layered Double Hydroxides.","authors":"Le Chen, Shihang Lu, Xin Tian, Miaosen Yang, Aijuan Han, Junfeng Liu","doi":"10.1002/smtd.71026","DOIUrl":"10.1002/smtd.71026","url":null,"abstract":"Precise control over atomic-scale defects is crucial for elucidating structure-activity relationships but remains a formidable synthetic challenge. Benefiting from the ordered distribution of trivalent cations within their host layers, layered double hydroxides (LDHs) offer an ideal platform for atomic-scale defect engineering. Herein, we report an in situ Al3+-incorporation and selective etching strategy to introduce well-defined single-atom defects into monolayer NiFe-LDH (mLDH) nanosheets. Free from layered lattice interference, these single-atom-defected mLDH (SAD-mLDH) nanosheets serve as a well-defined model system to probe intrinsic catalytic behaviors. Electrocatalytic evaluations in 1.0 M KOH demonstrate that SAD-mLDH exhibits exceptional oxygen evolution reaction (OER) activity, requiring an overpotential of just 269 mV at 10 mA cm-2, significantly outperforming defect-free mLDH (300 mV) and commercial RuO2 (340 mV). Mechanistic investigations reveal that the isolated single-atom defects reconfigure the local coordination and electronic structure of the Ni and Fe centers. The upward shifts of the Ni and Fe d-band centers, together with the site-dependent redistribution of metal-oxygen covalency revealed by M-O ICOHP analysis, optimized the adsorption energetics of OER intermediates and reduced the thermodynamic free-energy requirement of the rate-determining *O-to-*OOH step. This work establishes a robust paradigm for designing high-performance electrocatalysts via atomic defect engineering in 2D systems.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71026"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148904656","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

High-Throughput Dual Resonance and Non-Resonance Mode Raman-Activated Cell Sorting With Low-Volume Harvesting. 高通量双共振和非共振模式拉曼激活细胞分选与小体积收获。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-12 DOI: 10.1002/smtd.71037

Teng Xu, Pengfei Zhu, Yukuan Wang, Cuiyun Jia, Xibao Hou, Yang Zhang, Huijie Liu, Jingyun Song, Min He, Fangzhou Li, Dongfang Hao, Yilong Zhao, Xuewen Zhang, Bi Chen, Jian Xu, Bo Ma

{"title":"High-Throughput Dual Resonance and Non-Resonance Mode Raman-Activated Cell Sorting With Low-Volume Harvesting.","authors":"Teng Xu, Pengfei Zhu, Yukuan Wang, Cuiyun Jia, Xibao Hou, Yang Zhang, Huijie Liu, Jingyun Song, Min He, Fangzhou Li, Dongfang Hao, Yilong Zhao, Xuewen Zhang, Bi Chen, Jian Xu, Bo Ma","doi":"10.1002/smtd.71037","DOIUrl":"10.1002/smtd.71037","url":null,"abstract":"Raman-activated cell sorting (RACS) platforms are limited by inflexibility in tackling different Raman signals and inability to export the sorted cells in a sufficiently low volume for downstream processing. Here, we present a generally applicable RACS platform that tackles these challenges. For adaptive dual-mode operation that supports diverse spontaneous Raman signals, microfluidic optical tweezers are designed with switchable capture strategies, with a high-throughput in-stream mode (up to 834 events/min) for resonance Raman signals with short exposures (<0.1 s) for resonance-Raman-based screening, and a high-precision out-stream mode (up to 50 events/min) for non-resonance Raman detection with extended exposures (>0.1 s). Moreover, to achieve low-volume concentrated harvesting, an on-chip storage and centralized harvesting mechanism delivers target cells in uniform 10 µL suspensions with >97% purity. Using the in-stream mode for resonance Raman screening, we isolated a Yarrowia lipolytica mutant with 77% increased β-carotene production in just one sorting round directly from a mutant library. Employing the out-stream mode for non-resonance Raman detection, we enriched phosphate-solubilizing bacteria from wastewater with nearly 100% recovery in concentrated 10 µL volumes, enabling direct function-targeted mini-metagenomics. This high-throughput dual-mode RACS platform with low-volume cell harvesting greatly expands the application of label-free live-cell sorting via metabolic phenome.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71037"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148954505","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

A Click-Derived Pyridine-Silane Molecular Adhesive for Dual Covalent and Coordination Bonding at Metal-Polymer Interfaces. 金属-聚合物界面双共价键和配位键的键衍生吡啶-硅烷分子粘合剂。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-07 DOI: 10.1002/smtd.71025

Hyunlee Kim, Do Hyeon Jung, Yejin Cho, Sung Kyu Jang, Yun Ah Kim, Hui Hun Cho, Jun Hyuk Heo, Sung Min Cho, Byungkwon Lim, Jung Heon Lee

{"title":"A Click-Derived Pyridine-Silane Molecular Adhesive for Dual Covalent and Coordination Bonding at Metal-Polymer Interfaces.","authors":"Hyunlee Kim, Do Hyeon Jung, Yejin Cho, Sung Kyu Jang, Yun Ah Kim, Hui Hun Cho, Jun Hyuk Heo, Sung Min Cho, Byungkwon Lim, Jung Heon Lee","doi":"10.1002/smtd.71025","DOIUrl":"10.1002/smtd.71025","url":null,"abstract":"Robust metal-polymer adhesion is critical for high-performance interconnects and substrates in next-generation electronics. Liquid crystal polymers (LCPs) and Cu are increasingly used owing to their thermal stability, chemical resistance, and electrical performance. However, weak interfacial adhesion limits reliable integration, particularly under mechanical or thermal stress. Conventional surface treatments, such as plasma etching and chemical modification, often require complex processing, cause surface damage, and lack scalability. Herein, a bifunctional adhesive with pyridine and silane terminals (PyAAc-SiOH) is synthesized via Cu-catalyzed azide-alkyne cycloaddition (CuAAC) to address this challenge. Silanol groups enabled covalent bonding with hydroxylated LCP surfaces, and the pyridine moiety formed coordination bonding with Cu. Interfacial adhesion is evaluated using peel tests (ASTM D3359-97) and shear tests (ISO 4587), supported by morphological and spectroscopic analyses. At 1 wt% PyAAc-SiOH, adhesion rating of 5B with 0.77% delamination was achieved, and optimal mechanical performance with lap shear strength of 3.84 MPa, ductility of 0.01, and toughness of 21.23 MJ/m3. Fracture surface analysis indicates a concentration-dependent transition from adhesive to cohesive and mixed failure modes, consistent with monolayer-like interfacial behavior. Therefore, PyAAc-SiOH enables efficient, damage-free enhancement of Cu-LCP adhesion through molecular-level control, offering a scalable strategy for flexible substrates, packaging, and heterogeneous electronic integration.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71025"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148899996","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Anchor-Reinforced Deep Eutectic Solvent Gel With Robust Skin Adhesion and Toughness for Stable Bio-interface. 锚增强深度共熔溶剂凝胶，具有强大的皮肤附着力和韧性，用于稳定的生物界面。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-07 DOI: 10.1002/smtd.71027

Shuo Li, Fu Tang, Yiping Li, Yue Hu, Bingxuan Wu, Yuqiao Li, Baoge Liu, Lidong Li

{"title":"Anchor-Reinforced Deep Eutectic Solvent Gel With Robust Skin Adhesion and Toughness for Stable Bio-interface.","authors":"Shuo Li, Fu Tang, Yiping Li, Yue Hu, Bingxuan Wu, Yuqiao Li, Baoge Liu, Lidong Li","doi":"10.1002/smtd.71027","DOIUrl":"10.1002/smtd.71027","url":null,"abstract":"Conventional tough hydrogels generally suffer from high Young's modulus, which severely weakens their mechanical compliance with human skin and further impairs the interfacial adhesion. Herein, a PDMAA-deep eutectic solvent (PDMAA-DES) gel is fabricated by anchoring polymerizable DES onto the network backbone during in-situ polymerization. The synergistic covalent and hydrogen bonding interactions between the solvent molecules and the polymeric matrix drastically boost the cohesive energy of the gel. In conjunction with dense polymer network and macromolecular crosslinking, it resolves the contradiction between high toughness and mechanical compliance (high toughness of 21.36 MJ/m3 and skin compatible low Young's modulus of 200.92 kPa). Combined with abundant surface groups, the gel realizes robust adhesive strength of 2.85 MPa on glass and 390 kPa on pigskin. Besides, doping with dimethyl diallyl ammonium chloride improves the gel's conductivity. This material also presents long-term anti-drying property and electrochemical stability after 10000 cycles. Coupled with its good biocompatibility, the gel is assembled into a wireless wearable sensor, which achieves high precision ECG/EOG signal collection (SNR of 30.09 dB), and outstanding resistance to motion artifacts over commercial hydrogel electrodes. This work offers a facile strategy to construct advanced interfacial materials for wearable dynamic physiological signal monitoring.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71027"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148904648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Nanosecond, Nanometer Movies of MEMS/NEMS Dynamics in a Standard SEM Using Time-Tagged Secondary Electrons. 利用时间标记二次电子在标准SEM中研究MEMS/NEMS动力学的纳秒、纳米电影。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-09 DOI: 10.1002/smtd.71029

Joel Rehmann, Constantin Schalast, Karsten Kunze, Jan Rhensius, Yves Acremann

{"title":"Nanosecond, Nanometer Movies of MEMS/NEMS Dynamics in a Standard SEM Using Time-Tagged Secondary Electrons.","authors":"Joel Rehmann, Constantin Schalast, Karsten Kunze, Jan Rhensius, Yves Acremann","doi":"10.1002/smtd.71029","DOIUrl":"10.1002/smtd.71029","url":null,"abstract":"Dynamic phenomena at the micro- and nanoscale underpin technologies ranging from micro- and nanoelectromechanical systems (MEMS/NEMS) actuators and sensors to quantum instrumentation and communication hardware. In this paper, we demonstrate that time-resolved full-field scanning electron microscopy (SEM) for periodically driven micro- and nanostructures offers access to their spatiotemporal dynamics. This is achieved using a conventional SEM operated with its continuous electron beam and combined with a multi-channel plate (MCP) with a time-to-digital converter (TDC) for time-resolved measurements. Effective frame rates from <math><mrow><mn>3.2</mn> <mo>×</mo> <msup><mn>10</mn> <mn>6</mn></msup> </mrow> </math> to <math><mrow><mn>1.2</mn> <mo>×</mo> <msup><mn>10</mn> <mn>9</mn></msup> </mrow> </math> frames per second are reached and motion tracking with <math><mrow><mo>≈</mo> <mn>3</mn></mrow> </math> nm spatial and <math><mrow><mo>≈</mo> <mn>3</mn></mrow> </math> ns temporal jitter is demonstrated, enabling access to both micrometer-scale and nanometer-scale motion. By bringing high temporal resolution to widely available electron microscopes without invasive column modifications, this approach enables a broad range of experiments on dynamic micro- and nanomechanical systems.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71029"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13646037/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148917644","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Parallelized 61-Sample Inhibition Screening Accelerated by ¹⁹F-MRI Compressed Sensing. 19F-MRI压缩感知加速并行61样品抑制筛选。

IF 8.7 2区材料科学

Small Methods Pub Date : 2026-10-01 Epub Date: 2026-09-06 DOI: 10.1002/smtd.71004

Dilara Faderl, Alvar D Gossert, Jan G Korvink, Neil MacKinnon

{"title":"Parallelized 61-Sample Inhibition Screening Accelerated by 19F-MRI Compressed Sensing.","authors":"Dilara Faderl, Alvar D Gossert, Jan G Korvink, Neil MacKinnon","doi":"10.1002/smtd.71004","DOIUrl":"10.1002/smtd.71004","url":null,"abstract":"19F NMR is a well-established technique for screening ligands in early drug discovery. However, conventional NMR measurements are inherently sequential, which limits experimental throughput. We recently demonstrated that 19F MR imaging (MRI) enables spatial parallelization of such measurements. In this study, we leverage the reporter assay format, where the transverse relaxation ( <math><msub><mi>T</mi> <mn>2</mn></msub> </math> ) of a fluorinated reporter ligand is monitored in the presence of potential competitors. Using <math><msub><mi>T</mi> <mn>2</mn></msub> </math> -weighted MR images, up to 61 miniaturized samples can be resolved simultaneously. The screening assay operates at microliter-scale volumes in a custom miniaturized honeycomb sample holder, providing a readily accessible and scalable quantitative binding assay. To further accelerate data acquisition, we developed optimized imaging protocols based on compressed sensing (CS), enabling substantial reductions in measurement time without compromising quantitative accuracy. This approach allows parallel screening of 55 potential ligands and efficient determination of relative binding affinities through simultaneous dose-response experiments. We demonstrate the method on the model protein trypsin and the antibiotic target PPAT, characterizing several ligands with distinct binding properties. This study highlights the potential of MRI to enhance throughput and efficiency in early-stage drug discovery markedly.","PeriodicalId":229,"journal":{"name":"Small Methods","volume":" ","pages":"e71004"},"PeriodicalIF":8.7,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13646067/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148899944","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0