Microchemical Journal最新文献_第9页

Molecular imprinting based electrochemical sensor for determination of vitamin B12 using holotranscobalamin as biomarker 以全反钴胺素为生物标记物的分子印迹电化学传感器测定维生素B12

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-11 DOI: 10.1016/j.microc.2026.117341

Rishika Rohilla , Ankit , Amandeep Kaur , Nirmal Prabhakar

A new molecularly imprinting polymer (MIP) based voltammetric sensor has been developed for rapid detection of holotranscobalamin (holoTC), a potential biomarker for vitamin B12 deficiency. The MIP layer as an artificial recognition element for holoTC was created by immobilization of holoTC onto Au/ZIF-8 modified FTO followed by electropolymerization of phenol, and then subsequent removal of immobilized holoTC molecules. For the successful formation of holoTC-specific sites, imprinting factor, template removal time, thickness of the MIP layer, and holoTC incubation time were optimized. The modified MIP electrodes were characterized using various physical and electrochemical techniques. The linearity of the holoTC concentration was achieved in the range of 0.01 pg mL⁻¹ to 100 ng mL⁻¹ with the lowest detection limit of 0.061 pg mL⁻¹via differential pulse voltammetry (DPV). The electrochemical response of the sensor was further enhanced using thionin-conjugated antibody (Ab-thn) due to the electroactive nature of thionin. The selectivity of the proposed holoTC-MIP sensor was tested against different interferents which did not significantly affect the response of the assay, presenting higher specificity for holoTC with imprinting factor of 4.24. The sensor showed a stable response for up to 40 days with good reproducibility (RSD value ≤3.9%). The practical application of the developed imprinting method in human serum samples was analyzed for holoTC detection and compared with the Total vitamin B12 assay. The results of the study were found to be highly reproducible and superior to the conventional method. This is the first reported method for voltammetric holoTC detection based on the molecular imprinting technique.

研究了一种基于分子印迹聚合物（MIP）的新型伏安传感器，用于快速检测维生素B12缺乏症的潜在生物标志物全转钴胺素（holoTC）。将holoTC固定在Au/ZIF-8修饰的FTO上，然后电聚合苯酚，然后去除固定的holoTC分子，形成了holoTC的MIP层作为holoTC的人工识别元件。为了成功形成holoTC特异性位点，优化了印迹因子、模板去除时间、MIP层厚度和holoTC孵育时间。利用各种物理和电化学技术对改性的MIP电极进行了表征。在0.01 pg mL - 1 ~ 100 ng mL - 1的线性范围内，通过差分脉冲伏安法（DPV）的最低检出限为0.061 pg mL - 1。由于硫离子的电活性，使用硫离子偶联抗体（Ab-thn）进一步增强了传感器的电化学响应。实验结果表明，holoTC- mip传感器对不同干扰物的选择性无明显影响，对holoTC具有较高的特异性，印迹因子为4.24。该传感器响应稳定，可达40天，重现性好（RSD值≤3.9%）。分析了所建立的印迹法在人血清样品中的实际应用，并与总维生素B12法进行了比较。研究结果重复性高，优于常规方法。这是首次报道的基于分子印迹技术的伏安全息检测方法。

{"title":"Molecular imprinting based electrochemical sensor for determination of vitamin B12 using holotranscobalamin as biomarker","authors":"Rishika Rohilla , Ankit , Amandeep Kaur , Nirmal Prabhakar","doi":"10.1016/j.microc.2026.117341","DOIUrl":"10.1016/j.microc.2026.117341","url":null,"abstract":"<div><div>A new molecularly imprinting polymer (MIP) based voltammetric sensor has been developed for rapid detection of holotranscobalamin (holoTC), a potential biomarker for vitamin B12 deficiency. The MIP layer as an artificial recognition element for holoTC was created by immobilization of holoTC onto Au/ZIF-8 modified FTO followed by electropolymerization of phenol, and then subsequent removal of immobilized holoTC molecules. For the successful formation of holoTC-specific sites, imprinting factor, template removal time, thickness of the MIP layer, and holoTC incubation time were optimized. The modified MIP electrodes were characterized using various physical and electrochemical techniques. The linearity of the holoTC concentration was achieved in the range of 0.01 pg mL<sup>−1</sup> to 100 ng mL<sup>−1</sup> with the lowest detection limit of 0.061 pg mL<sup>−1</sup>via differential pulse voltammetry (DPV). The electrochemical response of the sensor was further enhanced using thionin-conjugated antibody (Ab-thn) due to the electroactive nature of thionin. The selectivity of the proposed holoTC-MIP sensor was tested against different interferents which did not significantly affect the response of the assay, presenting higher specificity for holoTC with imprinting factor of 4.24. The sensor showed a stable response for up to 40 days with good reproducibility (RSD value ≤3.9%). The practical application of the developed imprinting method in human serum samples was analyzed for holoTC detection and compared with the Total vitamin B12 assay. The results of the study were found to be highly reproducible and superior to the conventional method. This is the first reported method for voltammetric holoTC detection based on the molecular imprinting technique.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117341"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386001","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Magnetic mesoporous silica nanocarriers integrated aptamer-based colorimetric biosensor enables sensitive detection of P. aeruginosa 磁性介孔二氧化硅纳米载体集成了基于适配体的比色生物传感器，实现了铜绿假单胞菌的灵敏检测

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-11 DOI: 10.1016/j.microc.2026.117354

Kaidi Sun , Yan Zhang , Qingyin Zheng , Dan Qin , Peng Yan , Liyan Wang , Hao Chen , Lingxin Chen , Liyan Bi

P. aeruginosa, a highly adaptable and drug-resistant Gram-negative bacterium, poses a serious threat to public healthcare. We developed a magnetic mesoporous silica nanocarriers integrated aptamer-based colorimetric biosensor (MMNCS) for P. aeruginosa rapid and sensitive detection. In the biosensor, magnetic mesoporous silica nanoparticles served as carriers for the horseradish peroxidase (HRP), with aptamers acting as specific capture probes to target bacteria. In the presence of P. aeruginosa, the biosensor anchored onto the bacterial surface, leading to pore closure and suppression of TMB oxidation by HRP. The established colorimetric biosensor achieved remarkable performance in a broad range (10 to 10⁵ CFU/mL), high sensitivity (limit of detection, 0.8 CFU/mL) and rapid assay time (15 min). Furthermore, the MMNCS platform was evaluated in tap water, artificial urine, artificial saliva and human serum samples, exhibiting good recoveries of 95.47% to 105.65% and a relative standard deviation between 0.93% and 4.17%. The approach provides a low-cost, sensitive and rapid platform for early screening detection of pathogenic bacteria.

铜绿假单胞菌是一种适应性强、耐药的革兰氏阴性菌，对公共卫生构成严重威胁。我们开发了一种磁性介孔二氧化硅纳米载体集成适配体的比色生物传感器（MMNCS），用于铜绿假单胞菌的快速灵敏检测。在生物传感器中，磁性介孔二氧化硅纳米颗粒作为辣根过氧化物酶（HRP）的载体，适配体作为特定的捕获探针来捕获目标细菌。在P. aeruginosa存在的情况下，生物传感器固定在细菌表面，导致孔关闭并抑制HRP氧化TMB。所建立的比色生物传感器在宽范围（10 ~ 105 CFU/mL）、高灵敏度（检出限0.8 CFU/mL）和快速测定时间（15 min）方面具有显著的性能。在自来水、人工尿液、人工唾液和人血清样品中对MMNCS平台进行了评价，回收率为95.47% ~ 105.65%，相对标准偏差为0.93% ~ 4.17%。该方法为病原菌的早期筛查检测提供了一个低成本、灵敏、快速的平台。

{"title":"Magnetic mesoporous silica nanocarriers integrated aptamer-based colorimetric biosensor enables sensitive detection of P. aeruginosa","authors":"Kaidi Sun , Yan Zhang , Qingyin Zheng , Dan Qin , Peng Yan , Liyan Wang , Hao Chen , Lingxin Chen , Liyan Bi","doi":"10.1016/j.microc.2026.117354","DOIUrl":"10.1016/j.microc.2026.117354","url":null,"abstract":"<div><div><em>P. aeruginosa</em>, a highly adaptable and drug-resistant Gram-negative bacterium, poses a serious threat to public healthcare. We developed a magnetic mesoporous silica nanocarriers integrated aptamer-based colorimetric biosensor (MMNCS) for <em>P. aeruginosa</em> rapid and sensitive detection. In the biosensor, magnetic mesoporous silica nanoparticles served as carriers for the horseradish peroxidase (HRP), with aptamers acting as specific capture probes to target bacteria. In the presence of <em>P. aeruginosa</em>, the biosensor anchored onto the bacterial surface, leading to pore closure and suppression of TMB oxidation by HRP. The established colorimetric biosensor achieved remarkable performance in a broad range (10 to 10<sup>5</sup> CFU/mL), high sensitivity (limit of detection, 0.8 CFU/mL) and rapid assay time (15 min). Furthermore, the MMNCS platform was evaluated in tap water, artificial urine, artificial saliva and human serum samples, exhibiting good recoveries of 95.47% to 105.65% and a relative standard deviation between 0.93% and 4.17%. The approach provides a low-cost, sensitive and rapid platform for early screening detection of pathogenic bacteria.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117354"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386002","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

SIRT1 macromolecular mechanism and signal pathway dysregulation in kidney aging: Dataset integration based on electrochemical sensors and bioinformatics 肾脏衰老中SIRT1大分子机制和信号通路失调：基于电化学传感器和生物信息学的数据集集成

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-11 DOI: 10.1016/j.microc.2026.117351

Han Sun , Cong Ke , Yuan Zheng , Xiaoyan Luo , Jie Yang , Lingyu Ji , Mingxin Gao , Shuhua Wu

With the intensification of population aging, age-related renal function decline has become a major public health issue, and traditional biochemical indicators are difficult to achieve early and dynamic monitoring. Electrochemical sensors are suitable for real-time, non-invasive or minimally invasive detection of biomarkers related to chronic diseases. This study systematically screened key molecules related to renal aging that are closely associated with the SIRT1 pathway by integrating transcriptome and proteome data from public databases and combining bioinformatics methods (including differential expression analysis, protein interaction network construction, pathway enrichment and core node identification). The results showed that SIRT1 and its downstream effectors (such as TP53, IL6, TFAM, SOD2, etc.) showed significant dysregulation in the aging model, involving multiple pathological dimensions such as inflammatory activation, enhanced oxidative stress and mitochondrial dysfunction. Among these molecules, IL-6, NAD⁺, lactic acid, H₂O₂, etc. are all target substances that can be effectively detected by current electrochemical sensing technologies, and mature platforms based on nanomaterials, enzyme electrodes or immune sensing strategies have achieved ultrasensitive quantitative detection in body fluid samples. Therefore, this study not only revealed the core role of the SIRT1 pathway in renal aging, but also identified a group of candidate markers that are highly compatible with the development of electrochemical sensors. In the future, this can be used to design multi-parameter integrated electrochemical detection chips for bedside real-time assessment of renal aging risk or intervention effects, promoting the connection from mechanism research to clinical translation.

随着人口老龄化的加剧，老年性肾功能下降已成为重大的公共卫生问题，传统的生化指标难以实现早期、动态监测。电化学传感器适用于实时、无创或微创检测与慢性疾病相关的生物标志物。本研究通过整合公共数据库转录组和蛋白质组数据，结合生物信息学方法（包括差异表达分析、蛋白质相互作用网络构建、途径富集和核心节点鉴定），系统筛选与SIRT1通路密切相关的肾脏衰老关键分子。结果显示，SIRT1及其下游效应物（如TP53、IL6、TFAM、SOD2等）在衰老模型中表现出明显的失调，涉及炎症激活、氧化应激增强、线粒体功能障碍等多个病理维度。其中，IL-6、NAD+、乳酸、H₂O₂等都是目前电化学传感技术可以有效检测的靶物质，基于纳米材料、酶电极或免疫传感策略的成熟平台已经在体液样品中实现了超灵敏的定量检测。因此，本研究不仅揭示了SIRT1通路在肾脏衰老过程中的核心作用，而且确定了一组候选标记物，与电化学传感器的发展高度兼容。未来可用于设计多参数集成电化学检测芯片，床边实时评估肾脏老化风险或干预效果，促进机制研究与临床转化的衔接。

{"title":"SIRT1 macromolecular mechanism and signal pathway dysregulation in kidney aging: Dataset integration based on electrochemical sensors and bioinformatics","authors":"Han Sun , Cong Ke , Yuan Zheng , Xiaoyan Luo , Jie Yang , Lingyu Ji , Mingxin Gao , Shuhua Wu","doi":"10.1016/j.microc.2026.117351","DOIUrl":"10.1016/j.microc.2026.117351","url":null,"abstract":"<div><div>With the intensification of population aging, age-related renal function decline has become a major public health issue, and traditional biochemical indicators are difficult to achieve early and dynamic monitoring. Electrochemical sensors are suitable for real-time, non-invasive or minimally invasive detection of biomarkers related to chronic diseases. This study systematically screened key molecules related to renal aging that are closely associated with the SIRT1 pathway by integrating transcriptome and proteome data from public databases and combining bioinformatics methods (including differential expression analysis, protein interaction network construction, pathway enrichment and core node identification). The results showed that SIRT1 and its downstream effectors (such as TP53, IL6, TFAM, SOD2, etc.) showed significant dysregulation in the aging model, involving multiple pathological dimensions such as inflammatory activation, enhanced oxidative stress and mitochondrial dysfunction. Among these molecules, IL-6, NAD<sup>+</sup>, lactic acid, H₂O₂, etc. are all target substances that can be effectively detected by current electrochemical sensing technologies, and mature platforms based on nanomaterials, enzyme electrodes or immune sensing strategies have achieved ultrasensitive quantitative detection in body fluid samples. Therefore, this study not only revealed the core role of the SIRT1 pathway in renal aging, but also identified a group of candidate markers that are highly compatible with the development of electrochemical sensors. In the future, this can be used to design multi-parameter integrated electrochemical detection chips for bedside real-time assessment of renal aging risk or intervention effects, promoting the connection from mechanism research to clinical translation.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117351"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172583","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

LDs-targeting multifunctional fluorescent probe toward polarity, viscosity, and SO2 and bioimaging in cancer, inflammation, ferroptosis, and acute alcoholic liver injury lds靶向多功能荧光探针在癌症、炎症、铁下垂和急性酒精性肝损伤中的极性、粘度和SO2及生物成像

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-05 DOI: 10.1016/j.microc.2026.117280

Shizeng Pei , Huiling Wang , Jing Liu , Gang Nie , W.M.W.W. Kandegama , Chunrong Liu

Sulfur dioxide (SO₂), as well as microenvironmental viscosity and polarity are indispensable for redox equilibrium, biomolecular trafficking, and metabolic signaling, yet holistic analysis tools are lacking. Herein, we developed a multifunctional fluorescent probe TPA-TOB for simultaneous detection of polarity, viscosity, and SO₂. In the D-π-A structured TPA-TOB, triphenylamine (TPA) functioned as the donor, with 2-thiobarbituric acid serving as the acceptor, linked by a thiophene vinyl π-bridge. This architecture targeted lipid droplets (LDs), while the CC bond served as the site of the Michael addition reaction for the recognition of SO₂. The D-π-A structure of TPA-TOB with twisted intramolecular charge transfer (TICT) characteristics enabled it to respond to polarity and viscosity (≥620 nm fluorescence enhancement with higher viscosity/lower polarity). For SO₂, TPA-TOB exhibited 47-fold fluorescence enhancement at 420 nm (response time ∼ 10 min, LOD 0.87 μM), with 95.78%–100.58% recovery for SO₂ detection in rock sugar. Furthermore, TPA-TOB facilitated dynamic monitoring of intracellular SO₂ redox dynamics and fluctuation of LDs microenvironment (polarity and viscosity) spanning cell, tissue, and organism levels. Significantly, we realized the dual-channel mapping of acute alcoholic liver injury (AALI) with this probe, as well as identification of pathological signatures in cancer, inflammation, and ferroptosis. Therefore, we have established an integrative analytical platform to elucidate the interplay between SO₂ signaling and LDs microenvironment, thereby deepening the understanding of their roles in the pathogenesis of multiple diseases, and providing novel avenues for mechanistic investigation and therapeutic discovery.

二氧化硫（so2）、微环境粘度和极性对于氧化还原平衡、生物分子运输和代谢信号是必不可少的，但缺乏全面的分析工具。在此，我们开发了一种多功能荧光探针TPA-TOB，用于同时检测极性，粘度和SO₂。在D-π-A结构的TPA- tob中，三苯胺（TPA）为供体，2-硫代巴比妥酸为受体，由噻吩-乙烯基π桥连接。这种结构的目标是脂滴（ld），而CC键则是识别SO2的Michael加成反应的位点。TPA-TOB的D-π-A结构具有扭曲分子内电荷转移（TICT）特性，使其能够响应极性和粘度（≥620 nm荧光增强，高粘度/低极性）。对于so2， TPA-TOB在420 nm（响应时间~ 10 min， LOD 0.87 μM）处表现出47倍的荧光增强，对冰糖中so2的检测回收率为95.78% ~ 100.58%。此外，TPA-TOB有助于动态监测细胞内SO2氧化还原动力学和LDs微环境（极性和粘度）跨越细胞、组织和生物体水平的波动。值得注意的是，我们利用该探针实现了急性酒精性肝损伤（AALI）的双通道定位，并识别了癌症、炎症和铁下垂的病理特征。因此，我们建立了一个综合分析平台来阐明SO2信号与ld微环境之间的相互作用，从而加深对其在多种疾病发病机制中的作用的理解，并为机制研究和治疗发现提供新的途径。

{"title":"LDs-targeting multifunctional fluorescent probe toward polarity, viscosity, and SO2 and bioimaging in cancer, inflammation, ferroptosis, and acute alcoholic liver injury","authors":"Shizeng Pei , Huiling Wang , Jing Liu , Gang Nie , W.M.W.W. Kandegama , Chunrong Liu","doi":"10.1016/j.microc.2026.117280","DOIUrl":"10.1016/j.microc.2026.117280","url":null,"abstract":"<div><div>Sulfur dioxide (SO₂), as well as microenvironmental viscosity and polarity are indispensable for redox equilibrium, biomolecular trafficking, and metabolic signaling, yet holistic analysis tools are lacking. Herein, we developed a multifunctional fluorescent probe <strong>TPA-TOB</strong> for simultaneous detection of polarity, viscosity, and SO₂. In the D-π-A structured <strong>TPA-TOB</strong>, triphenylamine (TPA) functioned as the donor, with 2-thiobarbituric acid serving as the acceptor, linked by a thiophene vinyl π-bridge. This architecture targeted lipid droplets (LDs), while the C<img>C bond served as the site of the Michael addition reaction for the recognition of SO<sub>2</sub>. The D-π-A structure of <strong>TPA-TOB</strong> with twisted intramolecular charge transfer (TICT) characteristics enabled it to respond to polarity and viscosity (≥620 nm fluorescence enhancement with higher viscosity/lower polarity). For SO₂, <strong>TPA-TOB</strong> exhibited 47-fold fluorescence enhancement at 420 nm (response time ∼ 10 min, LOD 0.87 μM), with 95.78%–100.58% recovery for SO₂ detection in rock sugar. Furthermore, <strong>TPA-TOB</strong> facilitated dynamic monitoring of intracellular SO<sub>2</sub> redox dynamics and fluctuation of LDs microenvironment (polarity and viscosity) spanning cell, tissue, and organism levels. Significantly, we realized the dual-channel mapping of acute alcoholic liver injury (AALI) with this probe, as well as identification of pathological signatures in cancer, inflammation, and ferroptosis. Therefore, we have established an integrative analytical platform to elucidate the interplay between SO<sub>2</sub> signaling and LDs microenvironment, thereby deepening the understanding of their roles in the pathogenesis of multiple diseases, and providing novel avenues for mechanistic investigation and therapeutic discovery.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117280"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172648","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

WASYS: A low-cost composite sampling system for wastewater drug surveillance 用于废水药物监测的低成本复合采样系统

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-07 DOI: 10.1016/j.microc.2026.117307

Miguel Muñoz-Bartual , Ángel Sánchez-Illana , Salvador Garrigues , Francesc A. Esteve-Turrillas

Wastewater-based epidemiology (WBE) is an effective approach to assess drug consumption patterns in defined populations. Among its critical steps, sample collection significantly impacts the analytical parameters including the representativeness of the final data. However, traditional automatic samplers, though widely used, are often costly, bulky, and logistically challenging to deploy in the field. In this study, we present WASYS (Wastewater Analytical Sampling SYStem), a low-cost, open-source hardware device designed for composite sampling of wastewater in drug surveillance applications. The system integrates a tuneable peristaltic pump controlled by an Arduino-compatible board, a sample collection reservoir, and a lithium-ion battery system, enabling autonomous operation in space-constrained sewer environments. The device is compact, robust, and suitable for extended unattended sampling. WASYS was deployed at several sewer sites on the University of Valencia campus throughout 2024. The collected samples were analyzed using a validated LC-MS/MS method targeting 40 psychoactive substances. A total of 21 compounds were detected, including high-frequency pharmaceuticals such as venlafaxine, escitalopram, and clorazepate, as well as illicit drugs like cocaine and its metabolite benzoylecgonine, with estimated consumption expressed in mg day⁻¹ 1000 people⁻¹. These results confirm that WASYS is a reliable and scalable solution for a straightforward wastewater-based drug monitoring. Furthermore, its modular architecture allows future integration of environmental or analytical sensors, opening pathways for broader applications in real-time wastewater surveillance.

基于废水的流行病学（WBE）是评估特定人群药物消费模式的有效方法。在其关键步骤中，样本收集显著影响分析参数，包括最终数据的代表性。然而，传统的自动采样器虽然被广泛使用，但往往价格昂贵，体积庞大，在现场部署时物流困难。在这项研究中，我们提出了WASYS（废水分析采样系统），这是一种低成本，开源的硬件设备，专为药物监测应用中的废水复合采样而设计。该系统集成了一个由arduino兼容板控制的可调谐蠕动泵、一个样本收集库和一个锂离子电池系统，可以在空间有限的下水道环境中自主运行。该设备结构紧凑，坚固耐用，适用于延长无人值守采样。在整个2024年，WASYS被部署在瓦伦西亚大学校园的几个下水道站点。收集的样品采用经验证的LC-MS/MS方法对40种精神活性物质进行分析。总共检测到21种化合物，包括高频药物，如文拉法辛、艾司西酞普兰和氯硝西酯，以及非法药物，如可卡因及其代谢物苯甲酰lecgonine，估计消费量以mg天- 1 1000人- 1表示。这些结果证实，WASYS是一种可靠且可扩展的解决方案，可用于直接的废水基药物监测。此外，其模块化架构允许未来集成环境或分析传感器，为实时废水监测开辟了更广泛的应用途径。

{"title":"WASYS: A low-cost composite sampling system for wastewater drug surveillance","authors":"Miguel Muñoz-Bartual , Ángel Sánchez-Illana , Salvador Garrigues , Francesc A. Esteve-Turrillas","doi":"10.1016/j.microc.2026.117307","DOIUrl":"10.1016/j.microc.2026.117307","url":null,"abstract":"<div><div>Wastewater-based epidemiology (WBE) is an effective approach to assess drug consumption patterns in defined populations. Among its critical steps, sample collection significantly impacts the analytical parameters including the representativeness of the final data. However, traditional automatic samplers, though widely used, are often costly, bulky, and logistically challenging to deploy in the field. In this study, we present WASYS (Wastewater Analytical Sampling SYStem), a low-cost, open-source hardware device designed for composite sampling of wastewater in drug surveillance applications. The system integrates a tuneable peristaltic pump controlled by an Arduino-compatible board, a sample collection reservoir, and a lithium-ion battery system, enabling autonomous operation in space-constrained sewer environments. The device is compact, robust, and suitable for extended unattended sampling. WASYS was deployed at several sewer sites on the University of Valencia campus throughout 2024. The collected samples were analyzed using a validated LC-MS/MS method targeting 40 psychoactive substances. A total of 21 compounds were detected, including high-frequency pharmaceuticals such as venlafaxine, escitalopram, and clorazepate, as well as illicit drugs like cocaine and its metabolite benzoylecgonine, with estimated consumption expressed in mg day<sup>−1</sup> 1000 people<sup>−1</sup>. These results confirm that WASYS is a reliable and scalable solution for a straightforward wastewater-based drug monitoring. Furthermore, its modular architecture allows future integration of environmental or analytical sensors, opening pathways for broader applications in real-time wastewater surveillance.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117307"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172983","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Thermosensitive molecularly imprinted polymers in solid-phase extraction for food and environmental analysis: A mini review 热敏分子印迹聚合物在食品和环境分析固相萃取中的应用综述

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-10 DOI: 10.1016/j.microc.2026.117334

Zakri Husni Abdullah , Rico Ramadhan , Nur Fitrah Abdullah Sani , Wan Nazwanie Wan Abdullah , Nur Nadhirah Mohamad Zain , Sazlinda Kamaruzaman , Mazidatulakmam Miskam , Ahmad Husaini Mohamed , Noorfatimah Yahaya

Thermosensitive molecularly imprinted polymers (TS-MIPs) are synthesized using temperature-responsive polymers such as N-isopropylacrylamide (NIPAM) and its polymeric form, poly-NIPAM (PNIPAM), which enable reversible adsorption and desorption through thermal modulation. These smart sorbents combine molecular recognition with controllable phase transitions, resulting in enhanced selectivity, efficiency, and reusability compared to conventional MIPs. This review discusses recent advances in TS-MIPs design, polymerization strategies, and nanomaterial integration, emphasizing their impact on extraction performance and analytical sensitivity. Special attention is given to interaction mechanisms (hydrogen bonding, π–π stacking, hydrophobic, and electrostatic forces) that govern template–polymer affinity and temperature-triggered release behavior. Applications of TS-MIPs across various solid-phase extraction (SPE) formats, including magnetic SPE, dispersive SPE, and solid-phase microextraction, are systematically summarized for selected contaminants (e.g., organophosphorus pesticides, bisphenols, phthalate esters, sulfonamide antibiotics, tetracycline, estradiol and gentamicin). Finally, this review highlights current challenges and future opportunities for developing eco-friendly, regenerable, and high-throughput TS-MIPs systems, offering valuable insights for next-generation sample preparation and green analytical chemistry.

热敏分子印迹聚合物（TS-MIPs）是使用温度响应聚合物如n -异丙基丙烯酰胺（NIPAM）及其聚合物形式聚NIPAM （PNIPAM）合成的，其通过热调制实现可逆吸附和解吸。这些智能吸附剂结合了分子识别和可控的相变，与传统的MIPs相比，提高了选择性、效率和可重用性。本文综述了TS-MIPs设计、聚合策略和纳米材料集成的最新进展，强调了它们对提取性能和分析灵敏度的影响。特别关注相互作用机制（氢键，π -π堆叠，疏水性和静电力），控制模板-聚合物亲和和温度触发的释放行为。本文系统总结了TS-MIPs在各种固相萃取（SPE）格式中的应用，包括磁性固相萃取、分散固相萃取和固相微萃取，用于选定的污染物（例如，有机磷农药、双酚类、邻苯二甲酸酯、磺胺类抗生素、四环素、雌二醇和庆大霉素）。最后，本综述强调了开发环保、可再生、高通量TS-MIPs系统的当前挑战和未来机遇，为下一代样品制备和绿色分析化学提供了有价值的见解。

{"title":"Thermosensitive molecularly imprinted polymers in solid-phase extraction for food and environmental analysis: A mini review","authors":"Zakri Husni Abdullah , Rico Ramadhan , Nur Fitrah Abdullah Sani , Wan Nazwanie Wan Abdullah , Nur Nadhirah Mohamad Zain , Sazlinda Kamaruzaman , Mazidatulakmam Miskam , Ahmad Husaini Mohamed , Noorfatimah Yahaya","doi":"10.1016/j.microc.2026.117334","DOIUrl":"10.1016/j.microc.2026.117334","url":null,"abstract":"<div><div>Thermosensitive molecularly imprinted polymers (TS-MIPs) are synthesized using temperature-responsive polymers such as <em>N</em>-isopropylacrylamide (NIPAM) and its polymeric form, poly-NIPAM (PNIPAM), which enable reversible adsorption and desorption through thermal modulation. These smart sorbents combine molecular recognition with controllable phase transitions, resulting in enhanced selectivity, efficiency, and reusability compared to conventional MIPs. This review discusses recent advances in TS-MIPs design, polymerization strategies, and nanomaterial integration, emphasizing their impact on extraction performance and analytical sensitivity. Special attention is given to interaction mechanisms (hydrogen bonding, π–π stacking, hydrophobic, and electrostatic forces) that govern template–polymer affinity and temperature-triggered release behavior. Applications of TS-MIPs across various solid-phase extraction (SPE) formats, including magnetic SPE, dispersive SPE, and solid-phase microextraction, are systematically summarized for selected contaminants (e.g., organophosphorus pesticides, bisphenols, phthalate esters, sulfonamide antibiotics, tetracycline, estradiol and gentamicin). Finally, this review highlights current challenges and future opportunities for developing eco-friendly, regenerable, and high-throughput TS-MIPs systems, offering valuable insights for next-generation sample preparation and green analytical chemistry.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117334"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Discriminating biothiols using a near-infrared fluorescent probe and visualizing GSH with a mitochondrially localized nanoagent 使用近红外荧光探针鉴别生物硫醇，并使用线粒体定位纳米剂可视化谷胱甘肽

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-07 DOI: 10.1016/j.microc.2026.117301

Yafen Wang , Ping Li , Jiamin Xu , Xin Yan , Hui Bai , Ruobing Guo , Hua Gao , Li Peng

Discriminating between GSH and Cys/Hcy, and achieving precise visualization of GSH within mitochondria, are key hurdles posed by their similar reactivity. Herein, a near-infrared fluorescent probe (DCPO-NBD) and its nanoprobe LDH@DCPO-NBD were constructed for this purpose with fast response and desirable selectivity. Upon reaction with these three thiols, DCPO-NBD released dicyanomethylene-4H-pyran chromophore with a notable near-infrared fluorescence at 695 nm. Meanwhile, Cys/Hcy induced an intramolecular rearrangement cascade reaction generating green fluorescence at 560 nm. More critically, innovative modification of DCPO-NBD with layered double hydroxides (LDH) obtained mitochondria-localized nanoprobe LDH@DCPO-NBD. Moreover, the layered matrices of LDH sufficiently isolated hydrophobic DCPO-NBD, facilitating the cellular and in vivo imaging capabilities without the assistance of organic solvents or emulsifiers for solubilization. Further application proved LDH@DCPO-NBD can image the endogenous and exogenous GSH in living C57BL/6 mice. Collectively, our work successfully discriminated GSH and Cys/Hcy via dual channels mechanism. More significantly, applying innovative strategy of integrating mitochondrial-localized nanomaterial into the chemical probe design, LDH@DCPO-NBD enabled GSH visualization with excellent mitochondrial localization behavior, representing a novel viewpoint in biothiols visualization.

区分谷胱甘肽和Cys/Hcy，以及实现线粒体内谷胱甘肽的精确可视化，是它们相似的反应性带来的关键障碍。为此，构建了一种近红外荧光探针（DCPO-NBD）及其纳米探针LDH@DCPO-NBD，该探针具有快速响应和良好的选择性。DCPO-NBD与这三种硫醇反应后，在695 nm处释放出具有明显近红外荧光的二氰亚甲基- 4h -吡喃发色团。同时，Cys/Hcy诱导了分子内重排级联反应，产生560nm的绿色荧光。更关键的是，用层状双氢氧化物（LDH）对DCPO-NBD进行创新修饰，获得了线粒体定位的纳米探针LDH@DCPO-NBD。此外，LDH的层状基质充分隔离了疏水性DCPO-NBD，促进了细胞和体内成像能力，而无需有机溶剂或乳化剂的辅助。进一步的应用证明LDH@DCPO-NBD可以成像C57BL/6活体小鼠的内源性和外源性GSH。总的来说，我们的工作通过双通道机制成功地区分了GSH和Cys/Hcy。更重要的是，将线粒体定位纳米材料整合到化学探针设计中的创新策略，LDH@DCPO-NBD使GSH可视化具有出色的线粒体定位行为，代表了生物硫醇可视化的新观点。

{"title":"Discriminating biothiols using a near-infrared fluorescent probe and visualizing GSH with a mitochondrially localized nanoagent","authors":"Yafen Wang , Ping Li , Jiamin Xu , Xin Yan , Hui Bai , Ruobing Guo , Hua Gao , Li Peng","doi":"10.1016/j.microc.2026.117301","DOIUrl":"10.1016/j.microc.2026.117301","url":null,"abstract":"<div><div>Discriminating between GSH and Cys/Hcy, and achieving precise visualization of GSH within mitochondria, are key hurdles posed by their similar reactivity. Herein, a near-infrared fluorescent probe (DCPO-NBD) and its nanoprobe LDH@DCPO-NBD were constructed for this purpose with fast response and desirable selectivity. Upon reaction with these three thiols, DCPO-NBD released dicyanomethylene-4H-pyran chromophore with a notable near-infrared fluorescence at 695 nm. Meanwhile, Cys/Hcy induced an intramolecular rearrangement cascade reaction generating green fluorescence at 560 nm. More critically, innovative modification of DCPO-NBD with layered double hydroxides (LDH) obtained mitochondria-localized nanoprobe LDH@DCPO-NBD. Moreover, the layered matrices of LDH sufficiently isolated hydrophobic DCPO-NBD, facilitating the cellular and in vivo imaging capabilities without the assistance of organic solvents or emulsifiers for solubilization. Further application proved LDH@DCPO-NBD can image the endogenous and exogenous GSH in living C57BL/6 mice. Collectively, our work successfully discriminated GSH and Cys/Hcy via dual channels mechanism. More significantly, applying innovative strategy of integrating mitochondrial-localized nanomaterial into the chemical probe design, LDH@DCPO-NBD enabled GSH visualization with excellent mitochondrial localization behavior, representing a novel viewpoint in biothiols visualization.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117301"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172938","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

An AQbD-driven HPLC method for the simultaneous quantification of Osimertinib Mesylate and its impurities aqbd驱动高效液相色谱法同时定量测定甲磺酸奥希替尼及其杂质

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-10 DOI: 10.1016/j.microc.2026.117333

Ayman M. Algohary , Sultanah M.N. Alhunayhin , Ahmed M. Ibrahim

Osimertinib (OSM) represents a critical therapy for patients with non-small cell lung cancer, yet the very pharmacophore that drives its potency—a reactive acrylamide warhead—inherently predisposes the molecule to chemical instability. This creates a difficult puzzle for quality control: analysts must rigorously monitor a complex suite of degradation products, but existing methodologies often demand a compromise between high resolution and laboratory efficiency. To break this technological dichotomy, this study introduces a modernized, stability-indicating RP-HPLC strategy engineered under the framework of Analytical Quality by Design (AQbD). Rather than relying on trial-and-error, we systematically mapped Critical Method Parameters (CMPs) to define a robust Method Operable Design Region (MODR), achieving the simultaneous quantification of OSM and its impurities within a concise runtime. We also moved beyond conventional validation by employing the accuracy profile approach based on total error. This statistical framework provided a rigorous guarantee of reliability, demonstrating that β-expectation tolerance intervals remained strictly within acceptance limits with a negligible risk of measurement error (<3.6). The method specificity was confirmed through extensive stress testing, where it successfully resolved the parent drug from breakdown products generated under hydrolytic and oxidative stress. Finally, we quantified the method holistic impact using the novel Multi-Color Assessment (MA) tool. By achieving a composite Whiteness Score of 75.9%, the proposed strategy proves that analytical rigor need not come at the expense of environmental stewardship or practical utility, offering a robust, eco-friendly blueprint for the routine analysis of OSM formulations.

奥西替尼（OSM）是治疗非小细胞肺癌患者的关键药物，然而，驱动其药效的药效团——一种反应性丙烯酰胺战斗部——本身就容易使分子具有化学不稳定性。这就给质量控制带来了一个难题：分析人员必须严格监控一套复杂的降解产物，但是现有的方法通常要求在高分辨率和实验室效率之间做出妥协。为了打破这种技术对立，本研究引入了一种现代化的、稳定性指示的RP-HPLC策略，该策略是在分析质量设计（AQbD）的框架下设计的。而不是依赖于试错，我们系统地映射了关键方法参数（cmp）来定义一个健壮的方法可操作设计区域（MODR），在简洁的运行时间内实现OSM及其杂质的同时量化。我们还通过采用基于总误差的精度轮廓方法超越了传统的验证。该统计框架提供了严格的可靠性保证，表明β-期望容差区间严格保持在可接受范围内，测量误差风险可忽略不计（<3.6）。通过广泛的压力测试证实了该方法的特异性，该方法成功地从水解和氧化应激产生的分解产物中分离出母体药物。最后，我们使用新的多色评估（MA）工具量化了方法的整体影响。通过实现75.9%的综合白度得分，提出的策略证明了分析的严密性不必以牺牲环境管理或实际效用为代价，为OSM配方的常规分析提供了一个强大的、环保的蓝图。

{"title":"An AQbD-driven HPLC method for the simultaneous quantification of Osimertinib Mesylate and its impurities","authors":"Ayman M. Algohary , Sultanah M.N. Alhunayhin , Ahmed M. Ibrahim","doi":"10.1016/j.microc.2026.117333","DOIUrl":"10.1016/j.microc.2026.117333","url":null,"abstract":"<div><div>Osimertinib (OSM) represents a critical therapy for patients with non-small cell lung cancer, yet the very pharmacophore that drives its potency—a reactive acrylamide warhead—inherently predisposes the molecule to chemical instability. This creates a difficult puzzle for quality control: analysts must rigorously monitor a complex suite of degradation products, but existing methodologies often demand a compromise between high resolution and laboratory efficiency. To break this technological dichotomy, this study introduces a modernized, stability-indicating RP-HPLC strategy engineered under the framework of Analytical Quality by Design (AQbD). Rather than relying on trial-and-error, we systematically mapped Critical Method Parameters (CMPs) to define a robust Method Operable Design Region (MODR), achieving the simultaneous quantification of OSM and its impurities within a concise runtime. We also moved beyond conventional validation by employing the accuracy profile approach based on total error. This statistical framework provided a rigorous guarantee of reliability, demonstrating that β-expectation tolerance intervals remained strictly within acceptance limits with a negligible risk of measurement error (<3.6). The method specificity was confirmed through extensive stress testing, where it successfully resolved the parent drug from breakdown products generated under hydrolytic and oxidative stress. Finally, we quantified the method holistic impact using the novel Multi-Color Assessment (MA) tool. By achieving a composite Whiteness Score of 75.9%, the proposed strategy proves that analytical rigor need not come at the expense of environmental stewardship or practical utility, offering a robust, eco-friendly blueprint for the routine analysis of OSM formulations.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117333"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172982","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Interpretable deep learning-empowered label-free SERS for predicting early recurrence of IgA nephropathy using MXene-based composite films 使用基于mxene的复合膜预测IgA肾病早期复发的可解释的深度学习授权无标记SERS

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-07 DOI: 10.1016/j.microc.2026.117285

Dandan Fan , Mingxing Sui , Yanhua Li , Junhao Yu , Qinglong Li , Pei Ma , Xuedian Zhang , Hui Chen

The recurrence rate of IgA nephropathy (IgAN) in transplanted kidneys ranges from 30% to 58%, posing a significant threat to the long-term survival of transplant recipients. Early detection of recurrence allows timely and targeted intervention, thus may significantly improve graft survival outcomes. To date, prediction of IgAN recurrence remains challenging. Repeated kidney biopsies, while critical for monitoring disease progression, are highly invasive and carry inherent risks. This underscores the urgent need for an early, reliable and non-invasive strategy to monitor the IgAN recurrence and optimize recipient outcomes. In this study, we introduce an ultrasensitive and tractable diagnostic approach that can interrogate urine samples from IgAN patients at a molecular level through the combination of deep learning with surface-enhanced Raman spectroscopy (SERS). Flexible composite films of MXene and Au nanocubes (AuNCs) with high sensitivity and excellent biocompatibility are developed as SERS substrates to achieve molecular spectral fingerprints of urinary components, that can be utilized to reflect the physiological characteristics caused by IgAN. The spectral fingerprint differences of urine components are successfully profiled through a deep learning model, showing a diagnosis accuracy of 98% for recurrent IgAN. Meanwhile, for those patients with recurrent IgAN, the model predicted them with early recurrence through quantitative assessment of the similarity between spectral datasets. Additionally, we successfully conducted quantitative profiling of three proteins including CD89, CD71 and ASGP-R in urine samples from patients with recurrent IgAN, which present significant difference between early recurrence and severe recurrence. This analysis highlighted the clinical significance of these proteins as biomarkers for current IgAN diagnosis and monitoring. Thus, the integration of SERS with explainable deep learning established a novel method for recurrent IgAN diagnosis, not only achieving exceptional diagnostic performance but also significantly advancing model interpretability through SERS spectral analysis.

移植肾中IgA肾病（IgAN）的复发率为30% ~ 58%，对移植受者的长期生存构成重大威胁。早期发现复发可以及时和有针对性的干预，从而可以显著改善移植物的生存结果。迄今为止，预测IgAN复发仍然具有挑战性。反复的肾脏活检虽然对监测疾病进展至关重要，但具有高度侵入性并具有固有风险。这强调了迫切需要一种早期、可靠和非侵入性的策略来监测IgAN复发并优化受体结果。在这项研究中，我们介绍了一种超灵敏和易于处理的诊断方法，可以通过深度学习和表面增强拉曼光谱（SERS）的结合，在分子水平上询问IgAN患者的尿液样本。采用高灵敏度、生物相容性良好的MXene和Au纳米体柔性复合膜作为SERS底物，实现尿液成分的分子光谱指纹图谱，可用于反映IgAN引起的生理特征。通过深度学习模型成功地描述了尿液成分的光谱指纹差异，显示复发性IgAN的诊断准确率为98%。同时，对于复发性IgAN患者，该模型通过定量评估谱数据集之间的相似性来预测其早期复发。此外，我们成功地对复发性IgAN患者尿液样本中的CD89、CD71和ASGP-R三种蛋白进行了定量分析，发现早期复发与重度复发之间存在显著差异。该分析强调了这些蛋白作为当前IgAN诊断和监测的生物标志物的临床意义。因此，SERS与可解释深度学习的集成为复发性IgAN诊断建立了一种新的方法，不仅实现了卓越的诊断性能，而且通过SERS谱分析显著提高了模型的可解释性。

{"title":"Interpretable deep learning-empowered label-free SERS for predicting early recurrence of IgA nephropathy using MXene-based composite films","authors":"Dandan Fan , Mingxing Sui , Yanhua Li , Junhao Yu , Qinglong Li , Pei Ma , Xuedian Zhang , Hui Chen","doi":"10.1016/j.microc.2026.117285","DOIUrl":"10.1016/j.microc.2026.117285","url":null,"abstract":"<div><div>The recurrence rate of IgA nephropathy (IgAN) in transplanted kidneys ranges from 30% to 58%, posing a significant threat to the long-term survival of transplant recipients. Early detection of recurrence allows timely and targeted intervention, thus may significantly improve graft survival outcomes. To date, prediction of IgAN recurrence remains challenging. Repeated kidney biopsies, while critical for monitoring disease progression, are highly invasive and carry inherent risks. This underscores the urgent need for an early, reliable and non-invasive strategy to monitor the IgAN recurrence and optimize recipient outcomes. In this study, we introduce an ultrasensitive and tractable diagnostic approach that can interrogate urine samples from IgAN patients at a molecular level through the combination of deep learning with surface-enhanced Raman spectroscopy (SERS). Flexible composite films of MXene and Au nanocubes (AuNCs) with high sensitivity and excellent biocompatibility are developed as SERS substrates to achieve molecular spectral fingerprints of urinary components, that can be utilized to reflect the physiological characteristics caused by IgAN. The spectral fingerprint differences of urine components are successfully profiled through a deep learning model, showing a diagnosis accuracy of 98% for recurrent IgAN. Meanwhile, for those patients with recurrent IgAN, the model predicted them with early recurrence through quantitative assessment of the similarity between spectral datasets. Additionally, we successfully conducted quantitative profiling of three proteins including CD89, CD71 and ASGP-R in urine samples from patients with recurrent IgAN, which present significant difference between early recurrence and severe recurrence. This analysis highlighted the clinical significance of these proteins as biomarkers for current IgAN diagnosis and monitoring. Thus, the integration of SERS with explainable deep learning established a novel method for recurrent IgAN diagnosis, not only achieving exceptional diagnostic performance but also significantly advancing model interpretability through SERS spectral analysis.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117285"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172984","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Non-centrosymmetric hybrid zinc halide crystal with dual NLO and Cu2+ sensing functionality 具有双NLO和Cu2+传感功能的非中心对称杂化卤化锌晶体

IF 4.9 2区化学 Q1 CHEMISTRY, ANALYTICAL

Microchemical Journal

Pub Date : 2026-04-01 Epub Date: 2026-02-10 DOI: 10.1016/j.microc.2026.117298

Intissar Hamdi , Jassem Wannassi , Noureddine Mhadhbi , Ali Ben Ahmed , Jeanneau Erwann , Naoufel Ben Hamadi , Ahlem Guesmi , Lotfi Khezami , Houcine Barhoumi , Houcine Naïli

We report the synthesis, crystal structure, and multifunctional properties of a novel non-centrosymmetric hybrid crystal, (BrAL)₂[ZnCl₄]·2H₂O (BrAL = 4-bromoanilinium), synthesized via the Schlenk method. Single-crystal X-ray diffraction shows it crystallizing in the orthorhombic P2₁2₁2₁ space group, featuring isolated [ZnCl₄]²⁻ anions, two 4-bromoanilinium cations, and two water molecules, stabilized by N—H···Cl, N—H···O, and O—H···Cl hydrogen bonds. Density functional theory (DFT) calculations reveal the electronic structure, including HOMO–LUMO energies and electrostatic potential, and predict nonlinear optical (NLO) behavior, in agreement with experimental data. The crystal exhibits a wide-band-gap semiconductor character with an optical bandgap of ∼3.05 eV and strong UV absorption. Second harmonic generation (SHG) measurements confirm its NLO activity. Electrochemical studies demonstrate that a (BrAL)₂[ZnCl₄]·2H₂O -modified electrode enables sensitive and selective detection of Cu²⁺ ions. This work introduces a new multifunctional hybrid material that integrates structural, optical, and electrochemical functionalities, offering promising applications in NLO devices and environmental monitoring.

本文报道了一种新型非中心对称杂化晶体（brar）2[ZnCl4]·2H2O （brar = 4-溴苯胺）的合成、晶体结构和多功能性质。x -射线单晶衍射显示其在P212121正交空间群中结晶，具有孤立的[ZnCl4]2−阴离子、2个4-溴铵离子和2个水分子，由N-H··Cl、N-H··O和O - h··Cl氢键稳定。密度泛函理论（DFT）计算揭示了电子结构，包括HOMO-LUMO能量和静电势，并预测了非线性光学（NLO）行为，与实验数据一致。该晶体具有宽带隙半导体特性，光学带隙为~ 3.05 eV，具有强紫外吸收。二次谐波产生（SHG）测量证实了它的NLO活性。电化学研究表明，（brar）2[ZnCl4]·2H2O修饰电极能够灵敏、选择性地检测Cu2+离子。这项工作介绍了一种新的多功能混合材料，它集成了结构、光学和电化学功能，在NLO器件和环境监测中提供了有前途的应用。

{"title":"Non-centrosymmetric hybrid zinc halide crystal with dual NLO and Cu2+ sensing functionality","authors":"Intissar Hamdi , Jassem Wannassi , Noureddine Mhadhbi , Ali Ben Ahmed , Jeanneau Erwann , Naoufel Ben Hamadi , Ahlem Guesmi , Lotfi Khezami , Houcine Barhoumi , Houcine Naïli","doi":"10.1016/j.microc.2026.117298","DOIUrl":"10.1016/j.microc.2026.117298","url":null,"abstract":"<div><div>We report the synthesis, crystal structure, and multifunctional properties of a novel non-centrosymmetric hybrid crystal, (BrAL)<sub>2</sub>[ZnCl<sub>4</sub>]·2H<sub>2</sub>O (BrAL = 4-bromoanilinium), synthesized via the Schlenk method. Single-crystal X-ray diffraction shows it crystallizing in the orthorhombic <em>P2</em><sub><em>1</em></sub><em>2</em><sub><em>1</em></sub><em>2</em><sub><em>1</em></sub> space group, featuring isolated [ZnCl<sub>4</sub>]<sup>2−</sup> anions, two 4-bromoanilinium cations, and two water molecules, stabilized by N—H···Cl, N—H···O, and O—H···Cl hydrogen bonds. Density functional theory (DFT) calculations reveal the electronic structure, including HOMO–LUMO energies and electrostatic potential, and predict nonlinear optical (NLO) behavior, in agreement with experimental data. The crystal exhibits a wide-band-gap semiconductor character with an optical bandgap of ∼3.05 eV and strong UV absorption. Second harmonic generation (SHG) measurements confirm its NLO activity. Electrochemical studies demonstrate that a (BrAL)<sub>2</sub>[ZnCl<sub>4</sub>]·2H<sub>2</sub>O -modified electrode enables sensitive and selective detection of Cu<sup>2+</sup> ions. This work introduces a new multifunctional hybrid material that integrates structural, optical, and electrochemical functionalities, offering promising applications in NLO devices and environmental monitoring.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117298"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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