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Solution-Based Biophysical Methods for Guiding Design of Aptamers into Electrochemical Biosensors 基于溶液的生物物理方法指导设计适体进入电化学生物传感器
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-09-08 DOI: 10.1002/anse.202500077
Minh-Dat Nguyen, Samin Tavakoli, Sofia Mittelstedt, Philip E. Johnson, Philippe Dauphin-Ducharme

Structure-switching aptamers are utilized in various applications and have increasingly been translated into electrochemical biosensors, largely thanks to post-SELEX sequence engineering through computational and enzymatic approaches. In the context of sequence engineering, it is envisioned that folding and binding thermodynamics could likewise contribute to accelerating translation of aptamers into sensors. Herein, this is explored by first characterizing a series of quinine-binding aptamers using the biophysical methods isothermal titration calorimetry and nano differential scanning calorimetry. The folding and binding thermodynamics obtained are compared with the resulting analytical performance when aptamers are adapted into sensors. The findings show that the magnitude of sensor response is strongly correlated with aspects of the binding and unfolding thermodynamics of the aptamer as measured in solution. Using a similar approach, a recently reported adenosine monophosphate aptamer is successfully engineered to support electrochemical sensing. It is envisioned that relying on solution-based biophysical methods will further improve post-SELEX sequence engineering.

结构开关适配体被用于各种应用,并越来越多地转化为电化学生物传感器,这在很大程度上要归功于通过计算和酶的方法进行后selex序列工程。在序列工程的背景下,可以设想折叠和结合热力学同样有助于加速适体转化为传感器。本文首先利用生物物理方法等温滴定量热法和纳米差示扫描量热法对一系列奎宁结合适体进行了表征。将所得的折叠和结合热力学与适配体应用于传感器时的分析性能进行了比较。研究结果表明,传感器响应的大小与在溶液中测量的适体的结合和展开热力学的各个方面密切相关。使用类似的方法,最近报道的一磷酸腺苷适体被成功地设计成支持电化学传感。预计依靠基于解决方案的生物物理方法将进一步改善selex后序列工程。
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引用次数: 0
Harnessing Machine Learning and Deep Learning Approaches for Laser-Induced Breakdown Spectroscopy Data Analysis: A Comprehensive Review 利用机器学习和深度学习方法进行激光诱导击穿光谱数据分析:综合综述
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-09-05 DOI: 10.1002/anse.202500106
Pegah Dehbozorgi, Ludovic Duponchel, Vincent Motto-Ros, Thomas Bocklitz

Laser-induced breakdown spectroscopy (LIBS) is a rapid, accurate technique for material analysis, offering real-time, minimally destructive, and in situ detection capabilities with broad application potential. LIBS extends its applications across various fields, from geology to biomedicine. However, barriers like matrix effects, reproducibility, self-absorption, and spectral noise often restrict the proper interpretation of the spectra. This review paper examines literature from 2015 to 2025, focusing on the evolution of machine learning (ML) and deep learning (DL) techniques, in LIBS analysis. It evaluates the advancement of these techniques, assessing both the qualitative and quantitative performance of LIBS analysis. These observations support the complementary roles of ML and DL methodologies. ML captures general patterns, while DL, through convolutional neural networks (CNNs), excels at identifying high-level features. This literature review reveals that no single ML or DL tool consistently provides optimal solutions for LIBS applications. The analysis pipeline needs to be tailored based on the LIBS data and the goal of the study. Designing such a framework requires the incorporation of preprocessing techniques to enhance the quality of raw signals. This step should then be followed by integrating the data into predictive models, whether ML or DL, to accomplish tasks like classification or concentration prediction.

激光诱导击穿光谱(LIBS)是一种快速、准确的材料分析技术,提供实时、最小破坏性和原位检测能力,具有广泛的应用潜力。LIBS将其应用扩展到各个领域,从地质学到生物医学。然而,诸如矩阵效应、再现性、自吸收和光谱噪声等障碍往往限制了光谱的正确解释。本文回顾了2015年至2025年的文献,重点关注LIBS分析中机器学习(ML)和深度学习(DL)技术的发展。它评估了这些技术的进步,评估了LIBS分析的定性和定量性能。这些观察结果支持ML和DL方法的互补作用。ML捕获一般模式,而DL通过卷积神经网络(cnn)擅长识别高级特征。本文献综述显示,没有单一的ML或DL工具始终如一地为LIBS应用提供最佳解决方案。分析管道需要根据LIBS数据和研究目标进行定制。设计这样的框架需要结合预处理技术来提高原始信号的质量。这一步之后,应该将数据集成到预测模型中,无论是ML还是DL,以完成分类或浓度预测等任务。
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引用次数: 0
A Smart Photoswitchable Sensor for Differential Detection of Multiple Nucleotides In Two Photoswitchable States using Machine Learning Techniques 一种基于机器学习技术的智能光开关传感器,用于两种光开关状态下的多个核苷酸的差异检测
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-09-02 DOI: 10.1002/anse.202500082
Md Sahanawaz, Manik Lal Maity, Sudeep Koppayithodi, Subhajit Bandyopadhyay

An azobenzene-based tripodal sensor leverages the photoswitching property by undergoing reversible cistrans photoisomerization where the two isomers of a sensor demonstrate differential binding affinities toward a series of biologically important nucleotides. This difference in binding behavior enables biologically important analytes, namely ATP, ADP, GTP, UMP, UTP, CTP, and inorganic phosphates to be detected and discriminated based on their interaction patterns with each isomeric form of the photoswitchable sensor, which can be reversibly tuned by light. The differential interactions of the two photoisomeric probes are clearly apparent based on their UV-vis spectral responses, followed by the multivariate analysis of the spectral data in two and three dimensions. These results showcase the potential of the azobenzene-based tripodal photoswitch that could double up as tunable molecular sensors upon photoisomerization, paving the way for their applications in biological sensing and analytical chemistry.

偶氮苯基三脚架传感器通过进行可逆的顺式-反式光异构化来利用光开关特性,其中传感器的两个异构体对一系列生物学上重要的核苷酸表现出不同的结合亲和力。这种结合行为的差异使得生物学上重要的分析物,即ATP, ADP, GTP, UMP, UTP, CTP和无机磷酸盐,可以根据它们与光开关传感器的每种异构体形式的相互作用模式进行检测和区分,这些传感器可以被光可逆地调谐。根据两种光异构体探针的紫外-可见光谱响应,可以清楚地看出两种光异构体探针之间的差异相互作用,然后对光谱数据进行二维和三维的多元分析。这些结果显示了偶氮苯基三脚架光开关的潜力,它可以在光异构化时作为可调分子传感器,为其在生物传感和分析化学中的应用铺平了道路。
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引用次数: 0
Chiral Recognition of L and D-Cysteine Via Spin Selection Using Photoluminescence and A Highly Spin-Polarized Ferromagnetic Substrate 利用光致发光和高自旋极化铁磁衬底的自旋选择手性识别L和d -半胱氨酸
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-09-02 DOI: 10.1002/anse.202500075
Mayank Tiwari,  Prince, Debabrata Mishra

Spin-resolved photoluminescence approach is employed for the enantioselective detection of L- and D-cysteine using quantum dot-functionalized ferromagnetic electrodes. The L-cysteine-functionalized system exhibited a spin polarization Ps of 21.5% and a quenching efficiency (QE) of 35.6%, while the D-cysteine system showed 9.2% Ps and 21.0% QE. The detection limits are determined to be 1.86 nM for L-cysteine and 20 nM for D-cysteine. These results demonstrate the validation of the chiral-induced spin selectivity effect and also establish a sensitive, spin-based fluorescence platform for enantioselective biosensing of amino acids.

利用量子点功能化铁磁电极,采用自旋分辨光致发光方法对L-和d -半胱氨酸进行了对映选择性检测。l -半胱氨酸功能化体系的自旋极化Ps为21.5%,猝灭效率(QE)为35.6%,而d -半胱氨酸功能化体系的自旋极化Ps为9.2%,QE为21.0%。l -半胱氨酸和d -半胱氨酸的检出限分别为1.86 nM和20 nM。这些结果验证了手性诱导的自旋选择性效应,也为氨基酸的对映选择性生物传感建立了一个敏感的、基于自旋的荧光平台。
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引用次数: 0
Combinatorial SiO2-Encapsulated Quantum Dot Nanoparticles and their Use in Spectral Unmixing Analysis 组合sio2包封量子点纳米粒子及其在光谱解混分析中的应用
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-08-28 DOI: 10.1002/anse.202500070
Yuwei Wang, Jennifer I. L. Chen

Linear unmixing spectral analysis is a technique where signals from tens of fluorophores can be deconvoluted to increase multiplexing by 4–5-fold. For the mathematical algorithm-driven analysis to be applied to analytical assays, there is a need to develop spectrally engineered nanoparticle probes. Herein, silica-encapsulated quantum dot (QD-SiO2) nanoparticles with tunable spectral emissions are presented. The mechanism and factors for incorporating hydrophobic quantum dots (QDs) in silica in the reverse microemulsion synthesis are investigated, including 1H NMR study on the interaction of ligands on QDs with the surfactant. The optimized synthesis reduces Förster resonance energy transfer between QDs in silica particles. In combination with linear unmixing analysis, nanoparticles that encapsulate varying ratios of different color QDs enable multiplexing capability up to 8. Their size of ca. 30 nm can enable in vitro imaging in addition to the use in existing immunoassays and analytical platforms.

线性解混光谱分析是一种技术,其中来自数十个荧光团的信号可以反卷积以增加4 - 5倍的多路复用。为了将数学算法驱动的分析应用于分析分析,需要开发光谱工程纳米颗粒探针。本文提出了具有可调谐光谱发射的二氧化硅封装量子点(QD-SiO2)纳米颗粒。研究了在二氧化硅中掺入疏水量子点(QDs)进行反相微乳液合成的机理和影响因素,包括对QDs上配体与表面活性剂相互作用的1H NMR研究。优化后的合成降低了二氧化硅粒子中量子点之间Förster共振能量转移。结合线性解混分析,封装不同颜色量子点的不同比例的纳米颗粒使多路复用能力达到8。它们的尺寸约为30纳米,除了用于现有的免疫测定和分析平台外,还可以进行体外成像。
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引用次数: 0
Surface-Engineered TiO2 Film for Enhanced Electrochemical Biosensing and Cell Monitoring 用于增强电化学生物传感和细胞监测的表面工程TiO2薄膜
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-08-26 DOI: 10.1002/anse.202500072
Serdar Sanli, Eray Tabak, Necmettin Kilinc, Arif Kösemen, Merve Erginer, Sadullah Öztürk, Firat Baris Barlas

In vitro cell density measuring studies are mostly based on colorimetric methods; however, these approaches are limited to endpoint measurements rather than continuous data. To obtain more sensitive and continuous data, real-time monitoring of cell density is essential, which requires the development of surfaces with optimal physicochemical properties. TiO2 nanoporous structures are promising due to their favorable electrical properties, simple synthesis, unique porosity, biocompatibility, and stability. This study examined TiO2 films deposited onto titanium plates and screen-printed electrodes, characterized by scanning electron microscopy (SEM) and electrochemical techniques. HeLa and A549 cell proliferation on TiO2 was assessed and compared to polystyrene. Cell adhesion was evaluated via DAPI staining, fluorescence microscopy, and SEM. Electrochemical analyses (CV and EIS) were conducted on TiO2-coated electrodes. Results showed comparable proliferation on TiO2 and polystyrene, with effective adhesion confirmed by SEM. Electrochemical data demonstrated high sensitivity in detecting cellular differences, with detection limits of 150 cells for A549 and 107 for HeLa. These findings highlight TiO2 nanoporous structures as promising candidates for cell-based biosensor platforms.

体外细胞密度测量研究大多基于比色法;然而,这些方法仅限于终点测量,而不是连续数据。为了获得更灵敏和连续的数据,实时监测细胞密度是必不可少的,这就需要开发具有最佳物理化学性质的表面。二氧化钛纳米孔结构具有良好的电学性能、简单的合成、独特的孔隙度、生物相容性和稳定性等优点,具有广阔的应用前景。本研究通过扫描电子显微镜(SEM)和电化学技术对沉积在钛板和丝网印刷电极上的TiO2薄膜进行了表征。测定HeLa和A549细胞在TiO2上的增殖情况,并与聚苯乙烯进行比较。通过DAPI染色、荧光显微镜和扫描电镜观察细胞粘附情况。对tio2包覆电极进行了电化学分析(CV和EIS)。结果表明,在TiO2和聚苯乙烯上的扩散相当,SEM证实了有效的粘附。电化学数据对细胞差异的检测灵敏度很高,A549的检测限为150个细胞,HeLa的检测限为107个细胞。这些发现强调了二氧化钛纳米孔结构是基于细胞的生物传感器平台的有希望的候选者。
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引用次数: 0
Self-Recognizing L-Glutamine-Conjugated Manganese Oxide Sensors for Salivary Microdroplet Analysis 用于唾液微滴分析的l -谷氨酰胺共轭锰氧化物自识别传感器
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-08-23 DOI: 10.1002/anse.202500092
Muhammad Shahid, Syeda Nayab Batool Rizvi, Adeel Afzal

Early detection of Alzheimer's disease (AD) remains a critical challenge in neurodiagnostics that necessitates the development of noninvasive, cost-effective, and reliable biosensing platforms. Herein, a self-recognizing L-glutamine-conjugated manganese oxide (Gln-MnO2)-modified electrode is developed for the electrochemical detection of L-glutamine (Gln) in a microdroplet of human saliva, a potential biomarker for early-stage AD. The biofunctionalized MnO2 interface facilitates hydrogen bonding and electrostatic interactions with Gln, eliminating the need for enzymatic recognition elements while enhancing its sensitivity. Electrochemical characterization demonstrates a reversible, adsorption-controlled redox process with an electroactive surface area of 0.225 cm2, high sensitivity (3.16 µA cm−2 nM−1), and a low detection limit (69.7 pM). Real saliva analysis confirms its practical utility, with measured Gln concentrations (6.70 ± 0.93 µM) aligning with reported physiological levels. Furthermore, standard addition experiments yield a recovery of 94.67 ± 5.14%, which also validates its accuracy. The Gln-MnO2 sensor exhibits excellent operational stability over 15 days, with minimal signal loss afterward due to nonspecific adsorption in complex biofluids. The developed platform offers a cost-effective, enzyme-free, and disposable sensing approach for AD biomarker detection, with potential applications in metabolic monitoring and point-of-care diagnostics.

阿尔茨海默病(AD)的早期检测仍然是神经诊断领域的一个关键挑战,这需要开发无创、成本效益高、可靠的生物传感平台。本文开发了一种自识别的l -谷氨酰胺偶联氧化锰(Gln- mno2)修饰电极,用于电化学检测人唾液微滴中的l -谷氨酰胺(Gln),这是早期AD的潜在生物标志物。生物功能化的MnO2界面促进了与Gln的氢键和静电相互作用,消除了对酶识别元件的需求,同时提高了其灵敏度。电化学表征表明,这是一个可逆的、吸附控制的氧化还原过程,电活性表面积为0.225 cm2,灵敏度高(3.16µa cm−2 nM−1),检出限低(69.7 pM)。真实唾液分析证实了它的实用性,测量的Gln浓度(6.70±0.93µM)与报告的生理水平一致。标准添加实验回收率为94.67±5.14%,验证了该方法的准确性。Gln-MnO2传感器在15天内表现出出色的工作稳定性,并且由于在复杂生物流体中的非特异性吸附而导致的信号损失最小。该开发的平台为AD生物标志物检测提供了一种经济高效、无酶、一次性的传感方法,在代谢监测和即时诊断方面具有潜在的应用前景。
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引用次数: 0
Highly Selective Iodide Detection in Solution and Gel State Using Tunable Benzoate N-Glucosides 可调苯甲酸盐n -糖苷在溶液和凝胶状态下的高选择性碘检测
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-08-20 DOI: 10.1002/anse.202500083
Sheersha Pradhan, Jan Grzegorz Małecki, Thangamuthu Mohan Das

Iodide sensing has a crucial role in clinical research and synthetic chemistry. However, its detection using small molecular receptors is not well explored compared to metal-organic framework systems, which are laborious to synthesize and characterize. Here, we report the facile synthesis and selective detection of iodide by a series of substituted benzoate-linked 4,6-O-benzylidene-N-glucosylamines exhibiting good gelation with aliphatic and aromatic solvents (0.5%w/v CGC in aromatic solvents) and gel-sol transition in the presence of iodide (0.3%w/v) without external interference. The self-assembly systems were characterized through FE-SEM, DSC, variable temperature 1H NMR studies, and DFT calculations, where the driving force for gel formation was found to be H-bonding, π-π stacking, and van der Waals force of interactions. The solution phase iodide sensing was done using colorimetry, UV-Vis spectroscopy, and 1H NMR titration, where the iodide–sugar interaction was found to be through CH···I and Hbonding, again supported by DFT calculations.

碘化物传感在临床研究和合成化学中具有重要作用。然而,与合成和表征困难的金属-有机框架体系相比,利用小分子受体对其进行检测尚未得到很好的探索。在这里,我们报道了一系列取代苯甲酸酯连接的4,6- o -苄基- n -氨基葡萄糖胺对碘化物的快速合成和选择性检测,它们与脂肪和芳香族溶剂(0.5%w/v CGC在芳香族溶剂中)具有良好的凝胶性,并且在碘化物存在下(0.3%w/v)具有良好的凝胶-溶胶过渡,没有外界干扰。通过FE-SEM, DSC,变温1H NMR研究和DFT计算对自组装体系进行了表征,发现凝胶形成的驱动力是h键,π-π堆叠和相互作用的范德华力。通过比色法、紫外-可见光谱法和1H NMR滴定法对溶液中的碘化物进行了检测,发现碘化物与糖的相互作用是通过CH···I -和H -键进行的,同样得到了DFT计算的支持。
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引用次数: 0
Electrochemical and Surface-Enhanced Raman Scattering Coupling for Dual-Mode Sensing of Nanoplastics 纳米塑料双模传感的电化学和表面增强拉曼散射耦合
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-08-18 DOI: 10.1002/anse.202500076
Haocheng Yang, Haifeng Zhou, Ping Zou, Shengshen Gu, Jinghong Luo, Yingyang Zhang

The existence of nanoplastics (NPLs) in the environment has received continued attention in recent years due to their potential toxicological impacts. Nevertheless, there is a significant shortage of comprehensive considerations for the detection of NPLs. Specifically, the material, particle size, surface chemistry, and adsorption of xenobiotics of NPLs all shape their transport, toxicity, and environmental fate. Accurate NPL analysis is therefore essential for risk assessment and environmental monitoring. Surface-enhanced Raman spectroscopy (SERS) and electrochemical (EC) sensing have made significant progress in the detection of plastic contaminants, especially NPLs, which rely on their high sensitivity, portability for real-time applications in the field, and fascinating cost-effectiveness. Unfortunately, the rational technological coupling of both of them (EC-SERS) to improve NPLs detection performance has not yet been considered. In this perspective, the potential of EC-SERS in the analysis of NPLs is elucidated, and the respective application strengths and advances of the two technologies are highlighted, as well as the opportunities and challenges of their coupling.

近年来,纳米塑料在环境中的存在因其潜在的毒理学影响而受到人们的持续关注。然而,对于不良贷款的检测,目前还缺乏全面的考虑。具体来说,不良贷款的材料、颗粒大小、表面化学和外源物的吸附都决定了它们的运输、毒性和环境命运。因此,准确的不良资产分析对风险评估和环境监测至关重要。表面增强拉曼光谱(SERS)和电化学(EC)传感在塑料污染物,特别是不良物质的检测方面取得了重大进展,这依赖于它们的高灵敏度,可在现场实时应用的便携性,以及迷人的成本效益。遗憾的是,两者的合理技术耦合(EC-SERS)以提高不良贷款检测性能尚未得到考虑。从这个角度阐述了EC-SERS在不良贷款分析中的潜力,并强调了两种技术各自的应用优势和进展,以及它们耦合的机遇和挑战。
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引用次数: 0
Rapid Determination of Association Constants using Routine Plate Reader Measurements 使用常规平板阅读器测量快速测定关联常数
IF 2.9 Q2 CHEMISTRY, ANALYTICAL Pub Date : 2025-08-09 DOI: 10.1002/anse.202500116
Austin R. Sartori, Anjusha Prakash, Elnaz Safari, Mikhail Zamkov, Pavel Anzenbacher Jr

Though widely used for the accurate determination of host–guest binding constants, traditional fluorescence titrations are often too laborious for high-throughput (HT) or multivariable screening. Herein, it is demonstrated that standard microplate readers can approximate binding affinities across multiple supramolecular systems, different analytes, and stoichiometries, offering a scalable and time-efficient alternative to fluorimeters. Using diverse model systems, including a pH-responsive dye, a Zn2+-binding fluorophore (8-hydroxyquinoline-5-sulfonic acid) (1:2), a ratiometric anion-responsive terpyridine complex (ZnCl2(BPh-tpy)) which binds PPi (3:1), and a neutral guest-binding system (cucurbit[7]uril with proflavine, 1:1), it is shown that plate-reader measurements yield binding constants that closely mirror those obtained from the fluorimeter. Moreover, the HT multi-well plate format enables the simultaneous acquisition of large datasets that support statistically robust chemometric analysis. In each case, Support Vector Machine regression models are trained to predict analyte concentration with high accuracy (prediction errors of 2.7–4.3%). Additionally, the methodology provides practical estimations of limits of detection and limits of quantification using the same plate data, further enhancing its utility. This platform preserves analytical rigor and introduces a path toward integrating statistical robustness and machine learning in sensor development, using instrumentation readily available in most research settings at a fraction of the cost.

虽然传统的荧光滴定法被广泛用于准确测定主客体结合常数,但对于高通量(HT)或多变量筛选来说,往往过于费力。在这里,它被证明,标准的微孔板读取器可以近似的结合亲和力跨多个超分子系统,不同的分析物,和化学计量学,提供一个可扩展的和时间有效的替代荧光计。使用不同的模型系统,包括ph响应染料,Zn2+结合荧光团(8-羟基喹啉-5-磺酸)(1:2),比例阴离子响应的三联吡啶配合物(ZnCl2(BPh-tpy))结合PPi(3:1),中性客体结合系统(cucbit [7]uril与proflavine, 1:1),结果表明,平板阅读器测量得到的结合常数与荧光仪获得的结果非常接近。此外,HT多孔板格式可以同时获取支持统计稳健化学计量分析的大型数据集。在每种情况下,训练支持向量机回归模型以高精度(预测误差为2.7-4.3%)预测分析物浓度。此外,该方法提供了检测限和定量限的实际估计使用相同的板数据,进一步提高其效用。该平台保持了分析的严谨性,并在传感器开发中引入了整合统计稳健性和机器学习的途径,使用了大多数研究环境中现成的仪器,成本很低。
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引用次数: 0
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