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Multiscale Analysis of Deep Learning and Machine Learning: New Insights into the Adsorption Mechanism of VOCs Gas-Sensitive Materials 深度学习和机器学习的多尺度分析:对VOCs气敏材料吸附机理的新见解
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-02-02 DOI: 10.1021/acssensors.5c03820
Yujie Chen, Zexuan Wang, Xiao Wei, Wenhao Jiang, Yiyi Zhang, Xianfu Lin, Zengxi Wei, Pengfei Jia
Volatile organic compounds (VOCs) associated with lung cancer are key biomarkers for early noninvasive diagnosis, yet their adsorption behaviors on sensing materials remain highly complex and material-dependent. Efficient screening and accurate prediction of adsorption performance are therefore essential for designing next-generation gas sensors. Nanocomposites, with their superior surface reactivity and tunable properties, show great potential but lack a universal predictive framework that integrates computational simulations with intelligent algorithms. To overcome this limitation, this work constructs a comprehensive dataset of 336 adsorption cases and integrates first-principles calculations with machine learning to systematically predict VOC adsorption energies on nanocomposites. Eight algorithmsincluding SVR, GBR, GPR, XGBoost, MLP, KRR, and a small-sample Transformer modelwere benchmarked to identify the optimal predictive strategy. Among them, the KRR model achieved the best performance with an R2 of 0.8997 on the test set, exhibiting excellent generalization capability. This study provides the first comparative evaluation of deep learning and traditional ML methods for VOC adsorption prediction on nanocomposites based on first-principles data, revealing their respective strengths and limitations in gas-sensing research. The established universal predictive model offers a powerful tool for rapid screening of lung-cancer-related VOC biomarkers and lays a solid theoretical foundation for the rational design of high-performance gas sensors in medical diagnostics and health monitoring.
与肺癌相关的挥发性有机化合物(VOCs)是早期无创诊断的关键生物标志物,但其在传感材料上的吸附行为仍然高度复杂且依赖于材料。因此,高效筛选和准确预测吸附性能对于设计下一代气体传感器至关重要。纳米复合材料具有优异的表面反应性和可调性能,显示出巨大的潜力,但缺乏将计算模拟与智能算法相结合的通用预测框架。为了克服这一限制,本研究构建了一个包含336个吸附案例的综合数据集,并将第一性原理计算与机器学习相结合,系统地预测了VOC在纳米复合材料上的吸附能。通过对SVR、GBR、GPR、XGBoost、MLP、KRR等8种算法和小样本Transformer模型进行基准测试,确定最优预测策略。其中,KRR模型在测试集上的R2为0.8997,表现出优异的泛化能力。本研究首次对基于第一性原理数据的纳米复合材料VOC吸附预测的深度学习和传统ML方法进行了比较评价,揭示了它们各自在气敏研究中的优势和局限性。所建立的通用预测模型为肺癌相关VOC生物标志物的快速筛选提供了有力的工具,为合理设计医疗诊断和健康监测领域的高性能气体传感器奠定了坚实的理论基础。
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引用次数: 0
Spatially Programmable Electromechanical Response Enabled by Designed Island-Bridge Conductive Fibers for Motion-Sensing Textiles. 设计岛桥导电纤维用于运动感应纺织品的空间可编程机电响应。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-30 DOI: 10.1021/acssensors.5c03440
Xiaoqiu Zhong,Longxiang Zhu,Xin Zhang,Zhu-Bao Shao,Jianhui Qiu,Yu-Zhong Wang
Integrating high conductivity, stretchability, and mechanical and electrical performance in fibers remains challenging for wearables. This study develops highly stretchable, recyclable composite conductive fibers with exceptional electromechanical stability. Fibers were fabricated via wet-spinning by uniformly dispersing liquid metal particles (LMPs) and carboxylated carbon nanotubes (CNT-COOH) within a polyurethane matrix, forming an initial LMP-CNTNet island-bridge network. Subsequent ultrasound activation induced the assembly of a continuous LMP-dominated network (LMPNet), creating a hierarchical dual-network structure (LMPNet-CNTNet). This design achieves a conductivity of 3.22 × 103 S·m-1, a tensile strength of 6.6 MPa, strain-insensitive charge transport (ΔR < 1.3 Ω·cm-1 at 100% strain), and near-zero resistance drift (1.6% change over 2000 cycles). Programmatic modulation of the fiber spatial structure via ultrasonic activation enables the integration of high-power transmission, precision Joule heating, and real-time motion sensing. Moreover, the system enables closed-loop recycling via dissolution/respinning, retaining >80% original performance after five cycles. This work provides a sustainable and robust platform for next-generation multimodal smart textiles.
将高导电性、可拉伸性、机械和电气性能集成到纤维中,对于可穿戴设备来说仍然是一个挑战。本研究开发了具有优异机电稳定性的高拉伸、可回收的复合导电纤维。将液态金属颗粒(LMPs)和羧化碳纳米管(CNT-COOH)均匀分散在聚氨酯基体中,通过湿纺丝制备纤维,形成初始的LMP-CNTNet岛桥网络。随后的超声激活诱导了一个连续的lmp主导网络(LMPNet)的组装,创造了一个分层的双网络结构(LMPNet- cntnet)。该设计实现了电导率为3.22 × 103 S·m-1,抗拉强度为6.6 MPa,应变不敏感电荷输运(100%应变时ΔR < 1.3 Ω·cm-1)和接近零的电阻漂移(2000次循环变化1.6%)。通过超声波激活对光纤空间结构进行程序化调制,实现了高功率传输、精确焦耳加热和实时运动传感的集成。此外,该系统通过溶解/再生实现闭环循环,在5个循环后仍能保持80%的原始性能。这项工作为下一代多式联运智能纺织品提供了一个可持续和强大的平台。
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引用次数: 0
MXene-Au@Ag Hydrogel Patch as a Wearable SERS Sensor for Multiplexed Sweat Analysis of Uric Acid, Creatinine, and pH. MXene-Au@Ag水凝胶贴片作为可穿戴式SERS传感器,用于尿酸、肌酐和pH值的多路汗液分析。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-30 DOI: 10.1021/acssensors.5c03960
Yuliang Zhao,Yanqiu Zou,Weidan Zhao,Changqing Huang,Yadong Zhou,Gang Li,Ming Li,Shangzhong Jin,Li Jiang
Sweat, as a byproduct of human metabolism, can offer valuable insights for individual health monitoring and disease diagnosis. Traditional sweat detection devices face limitations including poor mechanical performance and low sensitivity. To overcome these challenges, we report a wearable surface-enhanced Raman scattering (SERS) sensor based on MXene-Au@Ag NPs core-shell structures integrated with a polyvinyl alcohol (PVA) hydrogel. The uniform deposition of Au@Ag NPs on MXene nanosheets generated high-density electromagnetic "hot spots," significantly enhancing SERS activity. The PVA hydrogel substrate not only endowed the sensor with excellent flexibility and mechanical stability but also facilitated efficient sweat collection and analyte enrichment. This sensor demonstrated ultrasensitive detection of creatinine (2.7 × 10-9 M) and uric acid (3.6 × 10-8 M), with strong linear correlations (R2 = 0.993 and 0.997), and could simultaneously monitor sweat pH. Practical trials with human volunteers confirmed the sensor's reliable, real-time quantification of biomarker concentrations and dynamic pH in sweat during exercise, validated using a portable Raman spectrometer. With its high uniformity (RSD = 7.02%), mechanical durability, and stable performance under repeated deformation, this wearable SERS sensor platform holds significant promise for point-of-care testing and continuous health monitoring.
汗液作为人体代谢的副产品,可以为个体健康监测和疾病诊断提供有价值的见解。传统的汗液检测设备存在机械性能差、灵敏度低等局限性。为了克服这些挑战,我们报告了一种基于MXene-Au@Ag NPs核壳结构与聚乙烯醇(PVA)水凝胶集成的可穿戴表面增强拉曼散射(SERS)传感器。Au@Ag NPs均匀沉积在MXene纳米片上,产生高密度的电磁“热点”,显著增强SERS活性。PVA水凝胶衬底不仅赋予传感器良好的灵活性和机械稳定性,而且有助于高效的汗液收集和分析物富集。该传感器对肌酐(2.7 × 10-9 M)和尿酸(3.6 × 10-8 M)具有超灵敏的检测,具有很强的线性相关性(R2 = 0.993和0.997),并且可以同时监测汗液pH。人体志愿者的实际试验证实了该传感器可靠,实时量化运动时汗液中生物标志物浓度和动态pH,并使用便携式拉曼光谱仪进行验证。该可穿戴SERS传感器平台具有高均匀性(RSD = 7.02%)、机械耐用性和反复变形下的稳定性能,在护理点检测和连续健康监测方面具有重要前景。
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引用次数: 0
Light-Addressable Photoelectrochemical Sensors for High-Throughput and Multiplex Detection: Principles, Applications, and Future Perspectives. 用于高通量和多路检测的光寻址光电化学传感器:原理、应用和未来展望。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-30 DOI: 10.1021/acssensors.5c03353
Yukun Yang,Fuguo Ge,Xiangyu Yao,Tao Bo,Jinhua Zhang,Xu Jing,Huilin Liu,Ying Zhang,Wenyan Yan,Baoqing Bai
Light-addressable photoelectrochemical sensors (LAPECS) have gained increasing attention as a promising platform for multiplexed detection owing to their integration of photo-addressing and photoelectrochemical techniques. By using programmable illumination to confine photoinduced electron transfer to specific electrode regions, this straightforward strategy enables high-throughput and multiplexed detection and has shown promise in biomedical diagnostics, environmental monitoring, and food safety analysis. In this review, we provide a comprehensive overview of the fundamental principles and the structural and functional components of LAPECS. This review also summarizes three representative operational modes: multi-electrode parallel, single-electrode multi-channel partitioning, and microarray chip-based modes. We further discuss emerging solutions, including advanced recognition interfaces, miniaturized designs, and machine learning-assisted data processing, to address current challenges in LAPECS, such as limited specificity, signal interference, and integration complexity. Finally, the current research challenges and future prospects of LAPECS are discussed.
光寻址光电电化学传感器(LAPECS)由于其融合了光寻址和光电化学技术,作为一种有前途的多路检测平台而受到越来越多的关注。通过使用可编程照明来限制光致电子转移到特定的电极区域,这种简单的策略可以实现高通量和多路检测,并在生物医学诊断,环境监测和食品安全分析中显示出前景。在这篇综述中,我们提供了LAPECS的基本原理和结构和功能组成的全面概述。本文还总结了三种典型的工作模式:多电极并行、单电极多通道划分和基于微阵列芯片的模式。我们进一步讨论了新兴的解决方案,包括先进的识别接口、小型化设计和机器学习辅助数据处理,以解决LAPECS当前面临的挑战,如有限的特异性、信号干扰和集成复杂性。最后,讨论了LAPECS目前的研究挑战和未来的发展前景。
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引用次数: 0
Sustainable Sensing Technologies toward a Greener Future 面向绿色未来的可持续传感技术
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-29 DOI: 10.1021/acssensors.6c00012
<styled-content style-type="dropcap">T</styled-content>he rapid proliferation of point-of-care diagnostics, wearable sensors, and continuous monitoring devices has revolutionized healthcare and environmental surveillance. However, advances in sensing technology come with an often-overlooked environmental cost. (1) Single-use plastic test strips, energy-intensive fabrication methods, and non-recyclable electronic components contribute significantly to global waste streams and carbon footprints. As the field of sensor technology expands, so too does our responsibility to address its ecological impact. <i>ACS Sensors</i>, as a leading journal at the forefront of diagnostic innovation, is uniquely positioned to promote the transition toward sustainable and green sensor technologies. This editorial will catalyze a critical dialogue and interdisciplinary collaboration on designing sensors or measurement systems that are not only sensitive and selective but also environmentally responsible, from material sourcing and fabrication to deployment and end-of-life management. The foundation of sustainable sensing lies in biodegradable substrates like cellulose, chitosan, and silk; (2) recyclable conductors like liquid metals and carbon-based inks; (3) and bio-sourced recognition elements. (4) Additionally, moving from energy-intensive cleanrooms to solar-powered 3D printing and roll-to-roll manufacturing using water-based inks or solvent-free processing can dramatically reduce the carbon footprint of sensor production, enabling scalable green fabrication. (5,6) To eliminate battery waste, next-generation sensors are expected to harvest energy from their environment by using triboelectric nanogenerators for wearables, biofuel cells for implants and environment monitors, or passive and Radio-frequency identification-enabled low-power systems. These green power systems enable the truly autonomous and sustainable sensing systems. (7) Beyond that, sustainability requires to sensor design with their entire lifecycle in mind. This includes creating modular sensors that can be easily taken apart, planning for what happens when they’re no longer used (like composting or recycling), and carefully evaluating their environmental impact from production to disposal to reduce harm as much as possible. (8,9) Green sensors also need to be accessible and capable of performing non-invasive detection, such as in saliva. Using locally sourced materials, solar-powered readouts, and community-based recycling models ensures sustainable diagnostics reach low-resource settings without compromising performance or planetary health. (10) Accelerating adoption requires clear standards for green sensor certification, regulatory pathways that incentivize sustainable design, and strong industry partnerships to translate lab innovations into commercially viable, planet-positive products. This Editorial supports the journal’s commitment to publishing high-impact, transformative sensor research
即时诊断、可穿戴传感器和连续监测设备的迅速普及彻底改变了医疗保健和环境监测。然而,传感技术的进步带来了经常被忽视的环境代价。(1)一次性塑料测试条、能源密集型制造方法和不可回收的电子元件对全球废物流和碳足迹贡献巨大。随着传感器技术领域的扩展,我们解决其生态影响的责任也在增加。ACS传感器,作为诊断创新前沿的领先期刊,在促进向可持续和绿色传感器技术的过渡方面具有独特的地位。这篇社论将促进在设计传感器或测量系统方面的关键对话和跨学科合作,这些传感器或测量系统不仅敏感和有选择性,而且对环境负责,从材料采购和制造到部署和报废管理。可持续传感的基础是可生物降解的基质,如纤维素、壳聚糖和丝绸;(2)可回收导体,如液态金属和碳基油墨;(3)生物源识别要素。(4)此外,从能源密集型洁净室转向太阳能3D打印和使用水性油墨或无溶剂加工的卷对卷制造,可以大大减少传感器生产的碳足迹,实现可扩展的绿色制造。(5,6)为了消除电池浪费,下一代传感器有望通过使用可穿戴设备的摩擦纳米发电机,植入物和环境监视器的生物燃料电池,或无源和射频识别的低功耗系统,从环境中收集能量。这些绿色电力系统使传感系统真正实现自主和可持续发展。(7)除此之外,可持续性要求传感器的设计要考虑到它们的整个生命周期。这包括创建易于拆卸的模块化传感器,规划不再使用时的情况(如堆肥或回收),并仔细评估其从生产到处置对环境的影响,以尽可能减少危害。(8,9)绿色传感器还需要易于使用,并且能够进行非侵入性检测,例如唾液检测。使用当地采购的材料,太阳能读数和基于社区的回收模式确保可持续诊断达到低资源环境,而不会影响性能或地球健康。(10)加速采用需要明确的绿色传感器认证标准,激励可持续设计的监管途径,以及强有力的行业合作伙伴关系,将实验室创新转化为商业上可行的、对地球有益的产品。本社论支持该杂志在解决紧迫的全球挑战的同时发表高影响力,变革性传感器研究的承诺。它将邀请在新兴的可持续传感器领域提交材料,以塑造一个更绿色、更负责任的传感器技术未来。强烈鼓励在可持续传感器设计的各个方面做出贡献。这包括但不限于对环保材料(如可生物降解或可回收部件)、创新识别元件和传感器(如生物兼容或低毒性检测系统)、节能电源解决方案(包括可再生能源集成或低功耗设计)、非侵入性检测和人工智能诊断的研究,以实现更可持续和更无障碍的世界。本文引用了其他10个出版物。这篇文章尚未被其他出版物引用。
{"title":"Sustainable Sensing Technologies toward a Greener Future","authors":"","doi":"10.1021/acssensors.6c00012","DOIUrl":"https://doi.org/10.1021/acssensors.6c00012","url":null,"abstract":"&lt;styled-content style-type=\"dropcap\"&gt;T&lt;/styled-content&gt;he rapid proliferation of point-of-care diagnostics, wearable sensors, and continuous monitoring devices has revolutionized healthcare and environmental surveillance. However, advances in sensing technology come with an often-overlooked environmental cost. (1) Single-use plastic test strips, energy-intensive fabrication methods, and non-recyclable electronic components contribute significantly to global waste streams and carbon footprints. As the field of sensor technology expands, so too does our responsibility to address its ecological impact. &lt;i&gt;ACS Sensors&lt;/i&gt;, as a leading journal at the forefront of diagnostic innovation, is uniquely positioned to promote the transition toward sustainable and green sensor technologies. This editorial will catalyze a critical dialogue and interdisciplinary collaboration on designing sensors or measurement systems that are not only sensitive and selective but also environmentally responsible, from material sourcing and fabrication to deployment and end-of-life management. The foundation of sustainable sensing lies in biodegradable substrates like cellulose, chitosan, and silk; (2) recyclable conductors like liquid metals and carbon-based inks; (3) and bio-sourced recognition elements. (4) Additionally, moving from energy-intensive cleanrooms to solar-powered 3D printing and roll-to-roll manufacturing using water-based inks or solvent-free processing can dramatically reduce the carbon footprint of sensor production, enabling scalable green fabrication. (5,6) To eliminate battery waste, next-generation sensors are expected to harvest energy from their environment by using triboelectric nanogenerators for wearables, biofuel cells for implants and environment monitors, or passive and Radio-frequency identification-enabled low-power systems. These green power systems enable the truly autonomous and sustainable sensing systems. (7) Beyond that, sustainability requires to sensor design with their entire lifecycle in mind. This includes creating modular sensors that can be easily taken apart, planning for what happens when they’re no longer used (like composting or recycling), and carefully evaluating their environmental impact from production to disposal to reduce harm as much as possible. (8,9) Green sensors also need to be accessible and capable of performing non-invasive detection, such as in saliva. Using locally sourced materials, solar-powered readouts, and community-based recycling models ensures sustainable diagnostics reach low-resource settings without compromising performance or planetary health. (10) Accelerating adoption requires clear standards for green sensor certification, regulatory pathways that incentivize sustainable design, and strong industry partnerships to translate lab innovations into commercially viable, planet-positive products. This Editorial supports the journal’s commitment to publishing high-impact, transformative sensor research","PeriodicalId":24,"journal":{"name":"ACS Sensors","volume":"388 1","pages":""},"PeriodicalIF":8.9,"publicationDate":"2026-01-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146070161","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
Dual Confinement-Enhanced Multiple Single Nucleotide Variant Detection at the Single-Particle Level. 双禁锢增强单粒子水平的多单核苷酸变异检测。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-29 DOI: 10.1021/acssensors.5c02891
Lin-Min Zhong,Chun-Min Li,Jing Zhang,Yi-Xin Li,Jiayi Zhuang,Xin-Yi Zhong,Fen-Ying Kong,Shan-Wen Hu
The efficacy of multiple single nucleotide variants (SNVs) analysis is far from ideal due to the limitations in identification. This study introduced a novel strategy for multiple SNVs analysis at the single particle level, integrating molecular and nanomaterial confinement to significantly accelerate the kinetics of multiplex recognition processes. Leveraging DNA tetrahedra to enhance sample background tolerance, we developed a nano self-assembly approach for the microscopic visualization and single-particle detection of mutations. The incorporation of X-shaped probes on DNA tetrahedra formed high-stability recognition units, which were interconnected via a long-chain confinement mechanism. Upon recognition, the release of the X-probe loop triggered a hybridization chain reaction (HCR) cascade, confined to the surface of gold nanoparticles (AuNPs) to achieve secondary confinement acceleration. Following electrostatic adsorption onto polystyrene (PS) microspheres, the fluorescence signal on AuNPs became microscopically visible. Machine learning algorithms were employed to further enhance the effective discrimination of multiple genomic sites. This work presents a promising and practical approach for multiple SNVs detection with potential applications in genomics and precision medicine.
由于鉴定的局限性,多单核苷酸变异(snv)分析的效果远不理想。本研究引入了一种在单粒子水平上进行多重snv分析的新策略,将分子和纳米限制结合起来,显著加快了多重识别过程的动力学。利用DNA四面体增强样品背景耐受性,我们开发了一种纳米自组装方法,用于显微镜可视化和单粒子突变检测。x型探针在DNA四面体上的结合形成了高稳定性的识别单元,并通过长链约束机制相互连接。识别后,x探针环的释放触发了杂交链式反应(HCR)级联,限制在金纳米颗粒(AuNPs)表面,以实现二次约束加速。在聚苯乙烯(PS)微球上静电吸附后,AuNPs上的荧光信号在显微镜下可见。采用机器学习算法进一步提高多基因组位点的有效区分。这项工作为多种snv检测提供了一种有前途和实用的方法,在基因组学和精准医学中具有潜在的应用前景。
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引用次数: 0
Fine-Core Highly Water-Retentive Hydrogel Flexible Optical Fiber for Long-Term Stable Sensing Application. 用于长期稳定传感应用的细芯高保水性水凝胶柔性光纤。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-29 DOI: 10.1021/acssensors.5c03604
Chunbiao Liu,Zhihai Liu,Yu Zhang,Yifan Qin,Mengyao Zhang,Wei Jin,Wenxuan Gu,Chen Shi,Libo Yuan
Hydrogel flexible optical fibers (HFOFs) have great potential in environmental monitoring and biomedical applications. However, current HFOFs face significant challenges, including the presence of large amounts of free water and low fiber crosslinking density, which result in poor water retention and environmental tolerance. These issues hinder the stable use of HFOFs as sensing waveguides. This study proposes for the first time a high-water-retention, fine-core HFOF. HFOFs are spun from a polyacrylamide hydrogel material containing glycerol using the drawing spinning method. During the drawing and stretching process, the fiber network porosity decreases, and self-assembly induced by water evaporation generates numerous hydrogen bonds. The hydroxyl groups in the glycerol molecules form hydrogen bonds with water molecules, while a large amount of bound water is generated, thereby enhancing the water retention performance of the HFOFs. HFOF demonstrates excellent water retention (water loss rate: <0.1%/day), stretching performance (500%), light-guiding ability (1.45 dB/cm), and recovery properties (1 min). The highly water-retentive HFOFs are applied in various scenarios, including bionic sensors for vibration detection and flexible sensors for monitoring human respiration and heartbeat. This work offers a new solution for improving the stable use of HFOFs and provides new inspiration for bionic monitoring and wearable human sensors.
水凝胶柔性光纤(hofs)在环境监测和生物医学方面具有巨大的应用潜力。然而,目前的hofs面临着巨大的挑战,包括存在大量的自由水和低纤维交联密度,这导致了较差的保水性和环境耐受性。这些问题阻碍了hofs作为传感波导的稳定使用。本研究首次提出了一种高保水、细芯的HFOF。用拉伸纺丝法从含有甘油的聚丙烯酰胺水凝胶材料中纺出hofs。在拉伸拉伸过程中,纤维网络孔隙率降低,水分蒸发引起的自组装产生大量氢键。甘油分子中的羟基与水分子形成氢键,生成大量结合水,从而增强了hofs的保水性。HFOF具有优异的保水性(失水率<0.1%/天)、拉伸性能(500%)、导光能力(1.45 dB/cm)和恢复性能(1 min)。高保水性hofs应用于各种场景,包括用于振动检测的仿生传感器和用于监测人体呼吸和心跳的柔性传感器。这项工作为提高hofs的稳定使用提供了新的解决方案,并为仿生监测和可穿戴人体传感器提供了新的灵感。
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引用次数: 0
A Near-Infrared Chemiluminescent Probe for Visualizing Norepinephrine in Parkinson's Disease. 用近红外化学发光探针观察帕金森病的去甲肾上腺素。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-29 DOI: 10.1021/acssensors.5c03087
Zhuang Lv,Jiayi Li,Pei Zhang,Zhennan Zhang,Hualong Zhou,Jiamei Liu,Yunsheng Xue,Ling Zhang
Norepinephrine (NE), a key neurotransmitter, plays a crucial role in Parkinson's disease (PD). However, precise tracking NE dynamics during PD pathology remains a significant challenge. Herein, we develop a novel near-infrared chemiluminescent probe (CL-NE) that can visualize the dynamic changes of NE levels in brains experiencing PD. Benefiting from its excellent sensitivity and selectivity, the CL-NE probe is applied to monitor NE dynamics in neuronal cells. Notably, CL-NE successfully observed aberrantly expressed NE in MPTP-induced Parkinson's mouse brains. Overall, our study provides a powerful tool for in vivo NE monitoring, offering valuable insights to improve the pathogenesis, diagnosis, and therapy of PD.
去甲肾上腺素是一种重要的神经递质,在帕金森病(PD)中起着至关重要的作用。然而,在PD病理过程中精确跟踪NE动态仍然是一个重大挑战。在此,我们开发了一种新型的近红外化学发光探针(CL-NE),可以可视化PD患者大脑中NE水平的动态变化。CL-NE探针具有良好的灵敏度和选择性,可用于神经细胞内NE动态监测。值得注意的是,CL-NE成功观察到mptp诱导的帕金森小鼠大脑中NE的异常表达。总之,我们的研究为体内NE监测提供了强有力的工具,为改善PD的发病机制、诊断和治疗提供了有价值的见解。
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引用次数: 0
Chemosensing of an Autism Biomarker, Gamma-Aminobutyric Acid, by Electropolymerized Molecularly Imprinted Polymers. 孤独症生物标志物γ -氨基丁酸的电聚合分子印迹聚合物化学感应。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-29 DOI: 10.1021/acssensors.5c02424
Nabila Yasmeen,Piyush Sindhu Sharma,Joanna Piechowska,Wojciech Lisowski,Krzysztof Noworyta,Francis D'Souza,Wlodzimierz Kutner
We electrochemically synthesized molecularly imprinted polymer (MIP) films and simultaneously deposited them onto an interdigitated electrode array (IDEA) and a classical Pt disk electrode to devise chemosensors for the selective determination of gamma-aminobutyric acid (GABA), a biomarker of autism spectrum disorder. p-Bis(2,2'-bithien-5-yl)methyl phenol 2-hydroxy acetamide ether was used as the functional monomer due to its ability to form a stable prepolymerization complex with the GABA template in solution. The highest stability of the prepolymerization complex of GABA with different functional monomers directed the choice of the above functional monomer. The structures of these complexes were optimized using DFT calculations. Potentiodynamic electropolymerization was performed to deposit prepolymerization template and functional monomer complexes on different electrodes. After removing template molecules to generate selective molecular cavities in the resulting MIPs, we evaluated the analytical performance of these MIP films when integrated into electrochemical sensing platforms. We integrated differential pulse voltammetry (DPV) or electrochemical impedance spectroscopy (EIS) transductions with the MIP film-coated electrodes and identified EIS as the most effective for point-of-care GABA determinations. Using EIS, an MIP-film-coated platinum disk electrode detected GABA in a linear dynamic concentration range of 0.19-1.6 μM, with a limit of detection (LOD) of 0.13 μM. The MIP film deposited on the IDEA enabled GABA determination with EIS over a broader range of 8-240 μM, with an LOD of 0.39 μM, highlighting its potential for clinical applications. The EIS-determined imprinting factor was 2.7. The chemosensors were selective with respect to structural analogues of GABA. Finally, we successfully measured GABA concentrations in human serum samples, confirming the clinical applicability of the developed GABA determination method.
我们电化学合成了分子印迹聚合物(MIP)薄膜,并将其同时沉积在交叉指状电极阵列(IDEA)和经典铂盘电极上,设计了用于选择性测定γ -氨基丁酸(GABA)的化学传感器,GABA是自闭症谱系障碍的生物标志物。采用对双(2,2'-二硫-5-基)甲基苯酚2-羟基乙酰胺醚作为功能单体,因为它能够与GABA模板在溶液中形成稳定的预聚合配合物。GABA与不同功能单体的预聚合配合物的最高稳定性指导了上述功能单体的选择。利用DFT计算优化了这些配合物的结构。采用动电位电聚合方法在不同电极上沉积预聚合模板和功能单体配合物。在去除模板分子以在所得的MIP中产生选择性分子空腔后,我们评估了这些MIP薄膜在集成到电化学传感平台时的分析性能。我们将差分脉冲伏安法(DPV)或电化学阻抗谱(EIS)转导与MIP薄膜涂层电极相结合,并确定EIS是即时测定GABA最有效的方法。采用EIS技术,在0.19 ~ 1.6 μM的线性动态浓度范围内检测GABA,检测限(LOD)为0.13 μM。沉积在IDEA上的MIP膜可以在8-240 μM的更宽范围内使用EIS检测GABA, LOD为0.39 μM,突出了其临床应用潜力。eis测定印迹因子为2.7。化学传感器对GABA的结构类似物具有选择性。最后,我们成功地测量了人血清样品中的GABA浓度,证实了所建立的GABA测定方法的临床适用性。
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引用次数: 0
Molecule-Level Interpretable SERS Diagnosis of Prostate Cancer via Prostatic Fluid Metabolites and Extracellular Vesicles. 前列腺液代谢物和细胞外囊泡在分子水平上可解释的SERS诊断前列腺癌。
IF 8.9 1区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-01-28 DOI: 10.1021/acssensors.5c03331
Yang Cheng,Xinyuan Bi,Bo Liu,Zhou Chen,Linley Li Lin,Yuling Wang,Jiahua Pan,Jian Ye
Prostate cancer (PCa) remains a major global health burden, yet current screening tools often lead to overdiagnosis due to low specificity, highlighting the urgent need for more precise diagnostic approaches. Prostatic fluid (PSF) represents a promising but underexplored biofluid with exceptional diagnostic potential due to its direct contact with the PCa microenvironment. Here, we employed molecule-level interpretable surface-enhanced Raman spectroscopy (SERS) to comprehensively investigate PCa-associated alterations in two PSF components including metabolites and small extracellular vesicles (sEVs) and explored their potential interrelations via correlation analysis. Through molecule-resolvable SERS spectral set (MORE SERSome) technique, we identified ergothioneine and deoxyguanosine as differential metabolites between PCa and benign prostatic hyperplasia patients. We further constructed a fusion diagnostic model by integrating metabolites and sEVs information. The fusion model significantly outperformed the diagnostic accuracy by applying any single component, suggesting diagnostic complementarity between PSF metabolites and sEVs. Integration with clinical variables such as age and plasma prostate-specific antigen concentration further enhanced performance with the area under the curve as high as 0.93 for PCa diagnosis, substantially surpassing existing screening methods. These findings strengthen the importance of in-depth analysis of specific PSF components and further promise the potential of SERS-based PSF profiling as a noninvasive strategy for PCa diagnosis and biopsy guidance.
前列腺癌(PCa)仍然是一个主要的全球健康负担,但目前的筛查工具往往导致过度诊断,由于低特异性,突出了迫切需要更精确的诊断方法。前列腺液(PSF)是一种有前途但尚未开发的生物流体,由于其与前列腺癌微环境直接接触,具有特殊的诊断潜力。在这里,我们采用分子水平可解释的表面增强拉曼光谱(SERS)全面研究了两种PSF成分(包括代谢物和小细胞外囊泡(sev))与pca相关的变化,并通过相关分析探索了它们之间的潜在相互关系。通过分子可分辨的SERS谱集(MORE SERSome)技术,我们确定麦角硫因和脱氧鸟苷是前列腺癌与良性前列腺增生患者的差异代谢物。我们进一步通过整合代谢物和sev信息构建了融合诊断模型。融合模型通过应用任何单一成分显著优于诊断准确性,表明PSF代谢物和sev之间的诊断互补性。结合年龄、血浆前列腺特异性抗原浓度等临床变量,进一步提高了诊断效能,曲线下面积高达0.93,大大超过了现有的筛查方法。这些发现加强了深入分析特定PSF成分的重要性,并进一步保证了基于sers的PSF谱分析作为PCa诊断和活检指导的无创策略的潜力。
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