Microchemical Journal最新文献_第4页

A SERS-machine learning quantitative detection platform for Pseudomonas aeruginosa based on AuNRs-MBA@Ag-MBA-van SERS tag and SPION-PEI-AuNPs-apt magnetic beads 基于AuNRs-MBA@Ag-MBA-van SERS标签和spon - pei - aunps -apt磁珠的铜绿假单胞菌SERS-机器学习定量检测平台

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-28 DOI: 10.1016/j.microc.2026.117146

Clement Yaw Effah , Longlong Tan , Qimeng Zhang , Xinyu Li , Lijun Miao , Xiaolei Zhou , Lihua Ding , Yongjun Wu

Pseudomonas aeruginosa (PA) is an opportunistic pathogen that is widely distributed in soil, water, air, food, animal, and human body surfaces, and is also one of the main pathogens of iatrogenic infections which can cause various infections in people with weakened immune systems. The rapid detection of PA in varied environmental and clinical samples is important for hospital infection control, clinical diagnosis, and food and environmental safety monitoring. In this study, we constructed an efficient separation and enrichment surface-enhanced Raman scattering (SERS) platform based on a dual recognition strategy, and supplemented it with a machine learning nonlinear regression model to achieve rapid, highly sensitive, accurate, and specific detection of PA. By combining the SERS platform with support vector machine learning regression model, a detection limit of 15 CFU/mL with a liner range of 50 to 10⁸ cells/mL was achieved. The highly sensitive dual-identification tag-type SERS quantitative analysis system established in this study has the advantages of wide detection range, low detection limit, good specificity, high accuracy and short detection time, thereby providing a method for the prevention and clinical diagnosis of PA infection-related diseases as well as food and environmental safety monitoring.

铜绿假单胞菌（Pseudomonas aeruginosa， PA）是一种广泛分布于土壤、水、空气、食物、动物和人体表面的条件致病菌，也是医疗源性感染的主要病原体之一，可在免疫系统较弱的人群中引起各种感染。在各种环境和临床样本中快速检测PA对医院感染控制、临床诊断以及食品和环境安全监测具有重要意义。在本研究中，我们构建了基于双重识别策略的高效分离富集表面增强拉曼散射（SERS）平台，并辅以机器学习非线性回归模型，实现了PA的快速、高灵敏、准确、特异检测。将SERS平台与支持向量机器学习回归模型相结合，检测限为15 CFU/mL，线性范围为50 ~ 108 cells/mL。本研究建立的高灵敏度双识别标签型SERS定量分析系统具有检测范围广、检出限低、特异性好、准确度高、检测时间短等优点，为PA感染相关疾病的预防和临床诊断以及食品环境安全监测提供了一种方法。

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引用次数: 0

Quantification of three progestogens in serum from polycystic ovary syndrome patients by LC-MS/MS based on magnetic solid phase extraction and quaternary ammonium oxime derivatization 基于磁固相萃取-季铵肟衍生化的LC-MS/MS定量分析多囊卵巢综合征患者血清中3种孕激素

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-28 DOI: 10.1016/j.microc.2026.117148

Jueyu Li , Lingling Liu , Lei Xu , Libo Zhao , Xianhua Zhang

Progestogens are essential for female reproductive homeostasis, and their dysregulation is implicated in disorders such as polycystic ovary syndrome (PCOS). Conventional immunoassays lack adequate selectivity and sensitivity for multi-analyte progestogen quantification, particularly at low serum concentrations, owing to antibody cross-reactivity and matrix interference. This study developed a highly sensitive and specific LC-MS/MS method by combining magnetic solid-phase extraction (MSPE) with a novel quaternary ammonium oxime (QAO) derivatization. This method enabled the simultaneous quantification of three key progestogens – pregnenolone (Preg), 17-hydroxypregnenolone (17OHPreg), and 17-hydroxyprogesterone (17OHP) - in serum from patients with PCOS. QAO derivatization significantly enhanced the ionization efficiency and improved detection sensitivity for all three targets. The validated method demonstrated excellent linearity across the tested ranges, with precision (RSD%) below 13.56%, accuracy (RE%) within ±15%, consistent recovery, and negligible matrix effects. The method was successfully applied to the clinical samples, enabling reliable measurement of low-abundance progestogens and providing a robust analytical tool for endocrine investigations in PCOS.

孕激素对女性生殖稳态至关重要，其失调与多囊卵巢综合征（PCOS）等疾病有关。由于抗体交叉反应性和基质干扰，传统的免疫测定法对多分析物孕激素定量缺乏足够的选择性和敏感性，特别是在低血清浓度下。本研究将磁性固相萃取（MSPE）与新型季铵肟衍生化相结合，建立了一种高灵敏度和特异性的LC-MS/MS方法。该方法可同时定量测定PCOS患者血清中的三种关键孕激素——孕烯醇酮（Preg）、17-羟基孕烯醇酮（17OHPreg）和17-羟基孕酮（17OHP）。QAO衍生化显著提高了电离效率，提高了对三种靶标的检测灵敏度。该方法在检测范围内线性良好，精密度（RSD%）在13.56%以下，准确度（RE%）在±15%以内，回收率一致，基质效应可忽略不计。该方法已成功应用于临床样品，实现了低丰度孕激素的可靠测量，为多囊卵巢综合征的内分泌调查提供了一个强大的分析工具。

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引用次数: 0

Metal-organic framework nanozymes: innovative biosensing platforms for biomarker detection 金属-有机框架纳米酶：生物标志物检测的创新生物传感平台

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-28 DOI: 10.1016/j.microc.2026.117129

Chunxiao Li , Fangqin Han , Jie Zhang , Yaoguang Wang , Nuo Zhang , Guanhui Zhao

Nanozymes, a unique class of nanomaterials that exhibit enzyme-like catalytic activities, are capable of mimicking the functions of natural enzymes. They exhibit notable characteristics such as substrate specificity, catalytic efficiency, and adaptability to diverse reaction conditions, closely resembling those of biological enzymes. Complementing these nanozymes, the emerging class of metal-organic frameworks (MOFs) offers an alternative structural platform for enzyme mimicry. Metal-organic framework (MOF) nanozymes are hybrid materials assembled from metal ion/cluster nodes and organic bridging ligands. They are distinguished by their abundant active sites, high specific surface area, and superior chemical and thermal stability, which enable them to maintain activity across a broader range of conditions compared to natural enzymes. MOF nanozymes are particularly advantageous due to their straightforward synthesis and modification processes, lower costs, and scalability for large-scale production. Moreover, their multifunctional nature allows integration with other functional materials, unlocking a wide array of applications. These compelling properties make MOF nanozymes particularly attractive as innovative biosensing platforms, holding significant promise for the sensitive and selective detection of biomarkers. Herein, we review the state-of-the-art development of MOF nanozymes, focusing on their fabrication strategies, catalytic properties, and biosensing applications. Finally, perspectives on the existing challenges and future opportunities in this emerging field are offered.

纳米酶是一类独特的纳米材料，具有类似酶的催化活性，能够模仿天然酶的功能。它们具有明显的特征，如底物特异性、催化效率和对各种反应条件的适应性，与生物酶非常相似。作为这些纳米酶的补充，新兴的金属有机框架（mof）为酶模拟提供了另一种结构平台。金属-有机框架纳米酶是由金属离子/簇节点和有机桥接配体组装而成的杂化材料。与天然酶相比，它们具有丰富的活性位点，高比表面积以及优越的化学和热稳定性，这使它们能够在更广泛的条件下保持活性。MOF纳米酶由于其简单的合成和修饰过程、较低的成本和大规模生产的可扩展性而具有特别的优势。此外，它们的多功能特性允许与其他功能材料集成，解锁广泛的应用。这些令人信服的特性使MOF纳米酶作为创新的生物传感平台特别有吸引力，对生物标志物的敏感和选择性检测具有重要的前景。在此，我们回顾了MOF纳米酶的最新发展，重点介绍了它们的制备策略、催化性能和生物传感应用。最后，对这一新兴领域面临的挑战和未来的机遇提出了展望。

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引用次数: 0

A novel approach for glassy carbon electrode modification using In2O3-enhanced molecularly imprinted polymers for diclofenac detection 用in2o3增强分子印迹聚合物修饰玻碳电极的新方法用于双氯芬酸检测

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-27 DOI: 10.1016/j.microc.2026.117133

Gulmira Rakhymbay , Khaisa Avchukir , Akmaral Argimbayeva , Ingkar Manatbekova , Peter A. Lieberzeit , Andrea Zappettini , Giuseppe Tarabella , Pasquale D'Angelo , Vardan Galstyan

Unregulated trace pollutants such as pharmaceuticals and their metabolites pose serious environmental risks due to their persistence and poor biodegradability. Diclofenac, a widely used non-steroidal anti-inflammatory drug, exemplifies this problem and underscores the urgent need for highly sensitive analytical devices capable of detecting it at trace levels. Although electrochemical sensors have advanced, new materials and fabrication strategies are still required to achieve reliable, low-level detection. In this work, a novel material design strategy is introduced for fabricating hybrid molecularly imprinted polymer films on glassy carbon electrodes through the electropolymerization of methacrylic acid in the presence of indium oxide nanoparticles. The electropolymerization method offers a rapid and cost-effective route to produce stable molecularly imprinted polymer layers. The study focuses on establishing and optimizing the key stages of this fabrication pathway, including imprint formation and template removal, which is a critical step for creating accessible recognition sites. Morphological, spectroscopic, and electrochemical analyses indicate successful polymer growth, efficient template extraction, and enhanced charge transfer properties. The resulting hybrid MIP architecture exhibits highly sensitive diclofenac detection, reaching sub-nanomolar limits. These findings demonstrate the effectiveness of combining methacrylic acid-based imprinting with In₂O₃ semiconductor nanoparticles and provide a foundation for the development of next-generation electrochemical sensors using this material-oriented design strategy.

不受管制的微量污染物，如药品及其代谢物，由于其持久性和生物降解性差，构成严重的环境风险。双氯芬酸是一种广泛使用的非甾体抗炎药，它体现了这个问题，并强调了对能够检测微量水平的高灵敏度分析设备的迫切需要。虽然电化学传感器已经取得了进步，但仍然需要新的材料和制造策略来实现可靠的低水平检测。在这项工作中，介绍了一种新的材料设计策略，通过甲基丙烯酸在氧化铟纳米颗粒存在下的电聚合，在玻碳电极上制造杂化分子印迹聚合物薄膜。电聚合方法为制备稳定的分子印迹聚合物层提供了一种快速、经济的途径。该研究的重点是建立和优化该制造途径的关键阶段，包括印记形成和模板去除，这是创建可访问识别位点的关键步骤。形态、光谱和电化学分析表明，聚合物生长成功，模板萃取高效，电荷转移性能增强。由此产生的混合MIP结构显示出高灵敏度的双氯芬酸检测，达到亚纳摩尔的极限。这些发现证明了甲基丙烯酸基印迹与In2O3半导体纳米颗粒结合的有效性，并为使用这种材料导向设计策略开发下一代电化学传感器提供了基础。

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引用次数: 0

Ultrasensitive duplex lateral flow immunoassay for enhanced detection of viral antigens using hybridization chain reaction amplification 采用杂交链反应扩增技术的超灵敏双侧流免疫分析法增强了病毒抗原的检测

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-27 DOI: 10.1016/j.microc.2026.117144

Xiaoshuo Li , Xinyue Ma , Zhuolin Fu , Zongwen Jin , Chunyan Sun , Xue Qiu , Jiajia Guo

The global spread of viral infections, particularly highlighted by the COVID-19 pandemic, has underscored the critical demand for rapid, sensitive, and widely accessible diagnostic tools. While polymerase chain reaction (PCR) remains the gold standard for virus detection due to its high sensitivity and specificity, its reliance on complex instrumentation and lengthy processing times makes it unsuitable for point-of-care testing (POCT). In contrast, lateral flow immunoassays (LFIA) are commonly used in POCT for their simplicity and rapid results, yet they often exhibit low sensitivity and limited accuracy, particularly when detecting low concentrations of viral antigens. In this study, we reported an ultrasensitive duplex lateral flow immunoassay (UdLFIA) that integrated hybridization chain reaction (HCR) amplification and dual-functionalized gold nanoparticles (AuNPs) to achieve both high sensitivity and accuracy. To demonstrate its capabilities, we applied the UdLFIA for the simultaneous detection of two SARS-CoV-2 antigens-the nucleocapsid (N) protein and the receptor-binding domain (RBD) of the spike protein. This model confirmed UdLFIA's benefits, enhancing diagnostic accuracy by reducing false negatives when targeting a single antigen. The UdLFIA achieved a limit of detection (LOD) of 0.65 ng/mL for the N protein and 0.99 ng/mL for the RBD protein, representing a 10–20 folds improvement in sensitivity with HCR amplification. The good selectivity of the UdLFIA was demonstrated by comparing the measurement with closely related viruses. Additionally, the 20 min measurement time makes it well-suited for large-scale screening and POCT settings. The UdLFIA platform represents a step toward bridging between high-sensitivity laboratory diagnostics and accessible point-of-care testing. By combining the simplicity and speed of LFIA with enhanced sensitivity and accuracy, UdLFIA may support scalable and cost-effective testing after further validation in clinical and real-world settings for both pandemic response and routine viral screening, addressing the limitations of current POCT technologies.

病毒感染的全球蔓延，特别是COVID-19大流行突显了对快速、敏感和广泛获取的诊断工具的迫切需求。虽然聚合酶链反应（PCR）由于其高灵敏度和特异性而仍然是病毒检测的金标准，但它对复杂仪器的依赖和漫长的处理时间使其不适合用于即时检测（POCT）。相比之下，侧流免疫测定法（LFIA）通常用于POCT，因为它们简单，结果快速，但它们通常表现出低灵敏度和有限的准确性，特别是在检测低浓度的病毒抗原时。在这项研究中，我们报道了一种超灵敏的双侧流免疫分析法（UdLFIA），该方法集成了杂交链反应（HCR）扩增和双功能化金纳米粒子（AuNPs），以获得高灵敏度和准确性。为了证明其能力，我们将UdLFIA应用于同时检测两种SARS-CoV-2抗原-核衣壳(N)蛋白和刺突蛋白的受体结合域（RBD）。该模型证实了UdLFIA的好处，通过减少针对单一抗原的假阴性来提高诊断准确性。UdLFIA对N蛋白和RBD蛋白的检出限（LOD）分别为0.65 ng/mL和0.99 ng/mL， HCR扩增的灵敏度提高了10-20倍。通过与密切相关的病毒进行比较，证明了UdLFIA具有良好的选择性。此外，20分钟的测量时间使其非常适合大规模筛选和POCT设置。UdLFIA平台代表了在高灵敏度实验室诊断和可访问的护理点检测之间架起桥梁的一步。通过将LFIA的简单性和速度与增强的灵敏度和准确性相结合，UdLFIA可以在临床和现实环境中进一步验证大流行应对和常规病毒筛查后，支持可扩展且具有成本效益的测试，解决当前POCT技术的局限性。

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引用次数: 0

Platinum/palladium-enhanced Cu-Cu2O nanozyme grown on manganese sheet for efficient peroxidase-like catalysis and sensitive colorimetric ampicillin detection 在锰片上生长的铂/钯增强Cu-Cu2O纳米酶，用于高效过氧化物酶样催化和灵敏的氨苄西林比色检测

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-27 DOI: 10.1016/j.microc.2026.117131

Yaoting Wang , Kezhen Tian , Hao Yu , Wenjing Jiang , Zhaoquan Wen , Fujun Yin , Hong Zhao

A novel Cu-Cu₂O/MnPtPd composite with enhanced peroxidase-like activity was synthesized and evaluated for colorimetric ampicillin (AMP) detection. The composite was prepared through in situ growth of Cu₂O on a Mn-based substrate, followed by Pt and Pd nanoparticle incorporation to synergistically modulate its structural and electronic properties. This design markedly improved the catalytic decomposition of H₂O₂ and the subsequent oxidation of 3,3′,5,5′-tetramethylbenzidine. The Cu⁺/Cu²⁺ redox cycle dominates the catalytic process, while the synergistic interactions among Cu, Mn, Pt, and Pd promote H₂O₂ activation to generate •O₂⁻, identified as the primary reactive species driving the colorimetric reaction. Steady-state kinetics demonstrated high affinity and catalytic efficiency toward both H₂O₂ and TMB, surpassing natural horseradish peroxidase. Based on this nanozyme, an enzyme-free colorimetric sensing platform for AMP was established, which exhibits a dual linear response in both low concentration range (0.05–100 μg/mL) and high concentration range (100–300 μg/mL), with a low detection limit of 14.5 ng/mL. The sensor showed excellent selectivity and anti-interference capability. Recoveries for AMP in real water samples ranged from 96.34% to 103.3% with RSD below 4.31%. These results demonstrate that the Cu-Cu₂O/MnPtPd nanozyme provides a stable, low-cost, and high-performance alternative for non-enzymatic AMP detection in environmental and food monitoring.

合成了一种新型的Cu-Cu2O/MnPtPd复合物，并对其进行了比色氨苄西林（AMP）检测。该复合材料是通过在mn基衬底上原位生长Cu2O，然后加入Pt和Pd纳米颗粒来协同调节其结构和电子性能来制备的。该设计显著改善了H2O2的催化分解和随后的3,3 ',5,5 ' -四甲基联苯胺的氧化。Cu+/Cu2+氧化还原循环主导催化过程，而Cu、Mn、Pt和Pd之间的协同作用促进H2O2活化生成•O2−，这是驱动比色反应的主要反应物质。稳态动力学表现出对H2O2和TMB的高亲和力和催化效率，优于天然辣根过氧化物酶。在此基础上建立了AMP的无酶比色检测平台，该平台在低浓度范围（0.05 ~ 100 μg/mL）和高浓度范围（100 ~ 300 μg/mL）均表现出双线性响应，低检出限为14.5 ng/mL。该传感器具有良好的选择性和抗干扰能力。AMP在实际水样中的回收率为96.34% ~ 103.3%,RSD < 4.31%。这些结果表明，Cu-Cu2O/MnPtPd纳米酶为环境和食品监测中的非酶AMP检测提供了一种稳定、低成本和高性能的替代方法。

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引用次数: 0

Synergistic amplification of WS2@PB as a signal Indicator and UiO-66-NH2/Ti3C2Tx MXene-based electrochemical biosensor for highly sensitive detection of chikungunya virus WS2@PB作为信号指示物与UiO-66-NH2/Ti3C2Tx mxene电化学生物传感器协同扩增对基孔肯雅病毒的高灵敏度检测

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-27 DOI: 10.1016/j.microc.2026.117130

Xuanming Xu , Yaning Jia , Jianuo Wu , Renlong Zhu , Jiayue Ma , Lian Tang , Wenqi Geng , Yajie Wang

Chikungunya virus (CHIKV) as an arbovirus transmitted by mosquitoes, causes CHIKV disease with a spectrum of acute clinical symptoms. The development of a specific and highly sensitive detection tool is urgently crucial for early diagnosis and clinical treatment. Herein, a novel sandwich-type electrochemical immunosensor (STEM) was designed, where prussian blue (PB) was in situ generated on tungsten disulfide (WS₂) as a highly efficient signal probe, while Zr–metal-organic framework (UiO-66-NH₂) and Ti₃C₂T_x MXene served as the substrate materials. In principle, the large specific surface area of MOFs facilitated the immobilization of biorecognition elements, as well as the excellent conductivity of Ti₃C₂T_x could achieve signal amplification. Moreover, WS₂@PB synergistically offered electrochemical signals, enabling the indirect quantitative detection of CHIKV antigen (CHIKV-Ag). Benefiting from the advantages of the nanocomposite materials, this strategy demonstrated an extensive linear range (0.05–1000 ng·mL⁻¹) via differential pulse voltammetry with a low detection limit (5.0 pg·mL⁻¹). Hence, this work presents a new electrochemical immunosensing platform for rapid CHIKV detection, and offers a potential direction for the diagnosis of arboviruses.

基孔肯雅病毒（CHIKV）是一种由蚊子传播的虫媒病毒，引起具有一系列急性临床症状的基孔肯雅病。开发一种特异性和高灵敏度的检测工具对于早期诊断和临床治疗至关重要。本文设计了一种新型的三明治型电化学免疫传感器（STEM），其中普鲁士蓝（PB）是在二硫化钨（WS2）上原位生成的，作为高效的信号探针，zr -金属-有机骨架（uui -66- nh2）和Ti3C2Tx MXene作为衬底材料。原则上，mof的大比表面积有利于生物识别元件的固定化，而Ti3C2Tx优异的导电性可以实现信号放大。此外，WS2@PB协同提供电化学信号，使CHIKV抗原（CHIKV- ag）的间接定量检测成为可能。得益于纳米复合材料的优势，该策略通过差分脉冲伏安法显示了广泛的线性范围（0.05-1000 ng·mL−1），检测限低（5.0 pg·mL−1）。因此，本研究为CHIKV病毒的快速检测提供了新的电化学免疫传感平台，为虫媒病毒的诊断提供了潜在的方向。

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引用次数: 0

Specific determination in hepatobiliary disease drugs at smart point-of-care testing by computational chemistry-assisted molecularly imprinted electrochemical sensor 计算化学辅助分子印迹电化学传感器在智能护理点检测中肝病药物的特异性测定

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-27 DOI: 10.1016/j.microc.2026.117142

Donglei Fu , Bowen Zhang , Shuaibo Zhang , Junjie Deng , Ruyi Wei , Xinghai Liu

The disease markers or therapeutic drugs that can be determined at home have attracted more and more attention in smart medical care with the advent of the era of “Great Health”. In this present work, we have proposed a general preparation strategy of enhanced-type molecularly imprinted polymers assisted by computational chemistry and applied it to the fabrication of a handheld electrochemical sensor, achieving the selective point-of-care testing of 4-hydroxyacetophenone by a therapeutic drug for hepatobiliary diseases. Among them, 4-vinylpyridine is selected as the optimal functional monomer to act as the specific recognition site, which is screened from the deduction of various pre-polymerized configurations based on 12 different types of functional monomers. As a result, this molecularly imprinted electrochemical sensor can be employed for the specific determination of 4-hydroxyacetophenone with a wide linear detection range of 0.1 to 20 μM, fully covering the medication levels of patients with hepatobiliary diseases. Impressively, this handheld electrochemical sensor can complete the diagnosis within only one minute with an accuracy rate exceeding 96% and wirelessly transmit the results to the mobile terminal, achieving intelligent human-computer interaction and further promoting the development of smart medical care at home.

随着“大健康”时代的到来，在智能医疗中，可以在家中检测的疾病标志物或治疗药物越来越受到关注。在本研究中，我们提出了一种在计算化学辅助下的增强型分子印迹聚合物的一般制备策略，并将其应用于手持式电化学传感器的制造，实现了对肝胆疾病治疗药物4-羟基苯乙酮的选择性护理点检测。其中，4-乙烯基吡啶作为最佳功能单体作为特异性识别位点，是基于12种不同类型功能单体的预聚合构型推导筛选出的。因此，该分子印迹电化学传感器可用于4-羟基苯乙酮的特异性检测，线性检测范围为0.1 ~ 20 μM，完全覆盖肝胆疾病患者的用药水平。令人印象深刻的是，这款手持式电化学传感器可以在一分钟内完成诊断，准确率超过96%，并将结果无线传输到移动终端，实现智能人机交互，进一步推动家庭智慧医疗的发展。

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引用次数: 0

Precisely size-controlled CsPbBr3 NCs for detecting peroxide value in edible oils with moisture-compensation 精确尺寸控制的CsPbBr3 NCs用于检测具有水分补偿的食用油中的过氧化值

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-27 DOI: 10.1016/j.microc.2026.117115

Penghao Zhu , Guang Zheng , Kaili Gao , Duoxia Xu , Xiaohua Nie , Yuanchao Lu , Guijie Hao , Xianghe Meng

Size and shape critically influence the optical properties of CsPbBr₃ NCs, but lack sufficient research in sensing. Herein, particle sizes and shapes of CsPbBr₃ NCs were precisely adjusted by room-temperature synthesis method, and sensing performances to peroxide value (PV) of edible oils were investigated. The results found that the particle sizes (4.3 ± 0.2, 6.3 ± 0.2, 8.8 ± 0.3, and 12.9 ± 0.6 nm) of high-crystallized cubic CsPbBr₃ NCs were precisely obtained, and the fluorescence (from 491 to 516 nm) and absorption (from 470 to 526 nm) peak wavelengths redshifted as the particle size increased from 4.3 nm to 12.9 nm. Among four particle sizes, CsPbBr₃ NCs (8.8 nm) demonstrated the optimal sensing performance (wavelength-shifted colorimetric method R² = 0.99) for PV detection, achieving a linear response range of 0.02–0.36 g/100 g with LOD of 0.0022 g/100 g and LOQ of 0.0073 g/100 g. Considering the interference from trace moisture in edible oil, a moisture-compensated intensity-quenched colorimetric method was proposed to improve the practical accuracy, with the practical recovery rates from 95%–245% to 90%–119%. Therefore, the proposed methods had good sensitivity, accuracy and practicability, and enlightened the effective technologies for the quality detection of edible oil.

尺寸和形状对CsPbBr3纳米材料的光学性能有重要影响，但在传感方面缺乏足够的研究。本文采用室温合成的方法对CsPbBr3 NCs的粒径和形状进行了精确调节，并研究了CsPbBr3 NCs对食用油过氧化值（PV）的传感性能。结果发现，高结晶立方CsPbBr3纳米颗粒的粒径（4.3±0.2、6.3±0.2、8.8±0.3和12.9±0.6 nm）得到了精确的分布，且随着粒径从4.3 nm增大到12.9 nm，其荧光峰（491 ~ 516 nm）和吸收峰（470 ~ 526 nm）发生了红移。四种粒径中，CsPbBr3纳米碳纳米管（8.8 nm）在PV检测中的传感性能最佳（波长移比色法R2 = 0.99），线性响应范围为0.02 ~ 0.36 g/100 g， LOD为0.0022 g/100 g， LOQ为0.0073 g/100 g。考虑到食用油中微量水分的干扰，提出了一种水分补偿强猝比色法，提高了实际准确度，实际回收率从95% ~ 245%提高到90% ~ 119%。该方法具有良好的灵敏度、准确性和实用性，为食用油质量检测提供了有效的技术指导。

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引用次数: 0

An innovative protocol for polyphenol enhancement in extra virgin olive oil and NIR–PLS-DA detection of exogenous polyphenols 特级初榨橄榄油中多酚增强的创新方案和外源多酚的NIR-PLS-DA检测

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-01-27 DOI: 10.1016/j.microc.2026.117138

Taha Mehany, José M. González-Sáiz, Consuelo Pizarro

This study proposes a novel and optimized protocol for polyphenol fortification in extra virgin olive oil (EVOO) and a rapid, non-destructive, quantitative method to detect exogenous polyphenols using near-infrared (NIR) spectroscopy combined with partial least squares discriminant analysis (PLS-DA). Hydroxytyrosol (HTyr)-based extracts of different origins were characterized by HPLC-DAD to select those most compatible with the native EVOO phenolic profile. Among the tested extracts, olive fruit–derived extracts exhibited the highest similarity to EVOO, providing total polyphenol contents up to 1530–1584 mg/kg, with hydroxytyrosol levels exceeding 900 mg/kg and tyrosol around 170 mg/kg after fortification. The dissolution and fortification process was optimized using experimental design, identifying the aqueous phase concentration and water/oil ratio as the only significant factors. Optimal conditions consisted of 0.2 g HTyr per 2 g water and a 2:5 (w/w) aqueous-to-oil ratio, yielding reproducible and homogeneous fortification. A total of 399 NIR spectra were recorded from 133 samples corresponding to seven fortification levels (0–100%) across 19 mono-cultivar EVOOs, enabling qualitative discrimination of exogenous bio-phenols. Chemometric analysis demonstrated that, despite natural variability in polyphenol content among EVOOs—particularly at low fortification levels (0–25%)—the PLS-DA model achieved 100% classification accuracy, with strong predictive performance (R² = 0.97, RMSEC = 5.90, RMSECV = 5.29). The method successfully differentiated fortified EVOO even when total polyphenol concentrations overlapped with those of naturally high-phenolic oils. These results confirm that hydroxytyrosol in EVOO predominantly originates from natural varietal and processing factors rather than exogenous addition, while also demonstrating that NIR–PLS-DA can reliably detect fortification at very low levels. The proposed approach offers a robust, fast, and sustainable tool for EVOO quality control, authentication, and fraud prevention, supporting the development of HTyr-enriched EVOO with enhanced antioxidant capacity, improved oxidative stability, and extended shelf life for food industry applications.

本研究提出了一种新的、优化的特级初榨橄榄油（EVOO）中多酚强化方法，以及一种快速、无损、定量的近红外（NIR）光谱结合偏最小二乘判别分析（PLS-DA）检测外源多酚的方法。采用HPLC-DAD对不同来源的羟基酪醇（HTyr）提取物进行表征，筛选出与天然EVOO酚谱最相容的提取物。在测试的提取物中，橄榄果提取的提取物与EVOO的相似性最高，总多酚含量高达1530-1584 mg/kg，强化后羟基酪醇含量超过900 mg/kg，酪醇含量约为170 mg/kg。以水相浓度和水油比为主要影响因素，通过实验设计对溶出强化工艺进行了优化。最佳条件为0.2 g HTyr / 2 g水，水油比为2:5 (w/w)，可获得重复性和均匀的强化。从19个单一品种EVOOs中对应7个强化水平（0-100%）的133个样品中共记录了399个近红外光谱，从而实现了外源生物酚的定性鉴别。化学计量学分析表明，尽管evoo中多酚含量存在自然变异，特别是在低强化水平（0-25%）下，PLS-DA模型的分类准确率达到100%，预测性能强（R2 = 0.97, RMSEC = 5.90, RMSECV = 5.29）。即使总多酚浓度与天然高酚油的浓度重叠，该方法也能成功区分强化EVOO。这些结果证实了EVOO中的羟基酪醇主要来自天然品种和加工因素，而不是外源添加，同时也表明NIR-PLS-DA可以可靠地检测非常低水平的强化。所提出的方法为EVOO质量控制、认证和欺诈预防提供了一个强大、快速和可持续的工具，支持开发具有增强抗氧化能力、改善氧化稳定性和延长食品工业应用保质期的富含htir的EVOO。

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引用次数: 0