首页 > 最新文献

Microchemical Journal最新文献

英文 中文
Anionic PbMOF based yellow-emitting ratiometric luminescence sensor for efficient detection of styrene biomarker 基于阴离子pbof的苯乙烯生物标志物高效检测的黄色发光比例传感器
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-09 DOI: 10.1016/j.microc.2026.117327
Liying Liu , Jingrui Yin , Yun Zhou, Jiayuan Liu, Xiaoting Li, Hu Ren, Honglin Wang, Liming Fan
The establishment of reliable and non-invasive urinary phenylglyoxylic acid (PGA) detection remains a critical occupational health priority, given its role as the primary exposure biomarker for styrene (SM) in industrial workers. In this work, an anionic 3D lead(II) organic framework of {[Pb(TPTA)0.5]·Me2NH2}n (PbMOF) was fabricated under hydrothermal condition and displayed dual-emission features and emitted bright yellow luminescence under UV excitation, demonstrating exceptional potential as a highly efficient luminescent sensor for PGA. It exhibited remarkable selectivity, superior sensitivity, an ultralow detection limit (LOD) of 100.4 nM, and a limit of quantification (LOQ) of 334 nM. Leveraging the photochromic response of PbMOF toward PGA under UV irradiation, an integrated logic gates based intelligent detection system was established to simultaneously enhance operational convenience and intelligence. These results not only establish PbMOF as a promising intelligent platform for early diagnostic of SM exposure biomarker, but also provides a feasible strategy to construct non-rare earth pristine MOF based ratiometric luminescent sensor.
鉴于尿苯乙醛酸(PGA)作为工业工人苯乙烯(SM)暴露的主要生物标志物的作用,建立可靠和无创的尿苯乙醛酸(PGA)检测仍然是一个关键的职业健康优先事项。在本研究中,在水热条件下制备了阴离子三维铅(II)有机骨架{[Pb(TPTA)0.5]·Me2NH2}n (pbof),该骨架具有双发射特征,并在紫外激发下发出明亮的黄色发光,显示出作为PGA高效发光传感器的特殊潜力。选择性好,灵敏度高,超低检出限为100.4 nM,定量限为334 nM。利用紫外光照射下pbof对PGA的光致变色响应,建立了基于集成逻辑门的智能检测系统,同时提高了操作的便利性和智能性。这些结果不仅奠定了pmof作为SM暴露生物标志物早期诊断的智能平台的前景,而且为构建基于非稀土原始MOF的比例发光传感器提供了可行的策略。
{"title":"Anionic PbMOF based yellow-emitting ratiometric luminescence sensor for efficient detection of styrene biomarker","authors":"Liying Liu ,&nbsp;Jingrui Yin ,&nbsp;Yun Zhou,&nbsp;Jiayuan Liu,&nbsp;Xiaoting Li,&nbsp;Hu Ren,&nbsp;Honglin Wang,&nbsp;Liming Fan","doi":"10.1016/j.microc.2026.117327","DOIUrl":"10.1016/j.microc.2026.117327","url":null,"abstract":"<div><div>The establishment of reliable and non-invasive urinary phenylglyoxylic acid (PGA) detection remains a critical occupational health priority, given its role as the primary exposure biomarker for styrene (SM) in industrial workers. In this work, an anionic 3D lead(II) organic framework of {[Pb(TPTA)<sub>0.5</sub>]·Me<sub>2</sub>NH<sub>2</sub>}<sub>n</sub> (PbMOF) was fabricated under hydrothermal condition and displayed dual-emission features and emitted bright yellow luminescence under UV excitation, demonstrating exceptional potential as a highly efficient luminescent sensor for PGA. It exhibited remarkable selectivity, superior sensitivity, an ultralow detection limit (LOD) of 100.4 nM, and a limit of quantification (LOQ) of 334 nM. Leveraging the photochromic response of PbMOF toward PGA under UV irradiation, an integrated logic gates based intelligent detection system was established to simultaneously enhance operational convenience and intelligence. These results not only establish PbMOF as a promising intelligent platform for early diagnostic of SM exposure biomarker, but also provides a feasible strategy to construct non-rare earth pristine MOF based ratiometric luminescent sensor.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117327"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172651","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
Qualitative analysis of aflatoxin B1 in soybeans using an anthocyanin-based colorimetric sensor array 基于花青素比色传感器阵列的大豆黄曲霉毒素B1定性分析
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-10 DOI: 10.1016/j.microc.2026.117331
Ziyue Chen , Jingwen Zhu , Jihong Deng , Yuhan Ding , Congli Mei , Hui Jiang
A colorimetric sensor array (CSA) constructed from nine natural anthocyanins was developed to enable qualitative analysis of aflatoxin B1 (AFB1) in soybeans. This CSA effectively captures information on volatile organic compounds (VOCs) released from soybeans exhibiting varying levels of AFB1 contamination. After dimensionality reduction of the collected data using t-SNE, classification was performed with support vector machine (SVM) models optimized by grey wolf optimization (GWO), particle swarm optimization (PSO) and rime-ice optimization (RIME). Among these, the RIME-SVM model achieved the best performance, reaching an accuracy of 96.67% in distinguishing whether the AFB1 content exceeded the maximum limit of 5 μg/kg specified by the National Food Safety Standard of China (GB 2761–2017). Overall, this study establishes a new method for differentiating AFB1 contamination levels in soybeans, addressing the challenges of conventional detection techniques—namely their operational complexity, high cost and limited suitability for rapid on-site screening—and demonstrating promising prospects for applications in food safety monitoring.
建立了以9种天然花青素为原料构建的比色传感器阵列(CSA),用于大豆中黄曲霉毒素B1 (AFB1)的定性分析。该CSA有效捕获了显示不同AFB1污染水平的大豆释放的挥发性有机化合物(VOCs)的信息。利用t-SNE对采集到的数据进行降维后,利用灰狼优化(GWO)、粒子群优化(PSO)和雾凇优化(RIME)优化的支持向量机(SVM)模型进行分类。其中,RIME-SVM模型在判别AFB1含量是否超过中国食品安全国家标准(GB 2761-2017)规定的5 μg/kg的最高限量方面表现最佳,准确率达到96.67%。总体而言,本研究建立了一种区分大豆中AFB1污染水平的新方法,解决了传统检测技术的挑战,即操作复杂、成本高和快速现场筛选的适用性有限,并在食品安全监测中展示了良好的应用前景。
{"title":"Qualitative analysis of aflatoxin B1 in soybeans using an anthocyanin-based colorimetric sensor array","authors":"Ziyue Chen ,&nbsp;Jingwen Zhu ,&nbsp;Jihong Deng ,&nbsp;Yuhan Ding ,&nbsp;Congli Mei ,&nbsp;Hui Jiang","doi":"10.1016/j.microc.2026.117331","DOIUrl":"10.1016/j.microc.2026.117331","url":null,"abstract":"<div><div>A colorimetric sensor array (CSA) constructed from nine natural anthocyanins was developed to enable qualitative analysis of aflatoxin B1 (AFB1) in soybeans. This CSA effectively captures information on volatile organic compounds (VOCs) released from soybeans exhibiting varying levels of AFB1 contamination. After dimensionality reduction of the collected data using t-SNE, classification was performed with support vector machine (SVM) models optimized by grey wolf optimization (GWO), particle swarm optimization (PSO) and rime-ice optimization (RIME). Among these, the RIME-SVM model achieved the best performance, reaching an accuracy of 96.67% in distinguishing whether the AFB1 content exceeded the maximum limit of 5 μg/kg specified by the National Food Safety Standard of China (GB 2761–2017). Overall, this study establishes a new method for differentiating AFB1 contamination levels in soybeans, addressing the challenges of conventional detection techniques—namely their operational complexity, high cost and limited suitability for rapid on-site screening—and demonstrating promising prospects for applications in food safety monitoring.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117331"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146172650","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
E-waste device category classification combining LIBS and machine learning 结合LIBS和机器学习的电子垃圾设备分类
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-06 DOI: 10.1016/j.microc.2026.117297
Dennis S. Ferreira , Raffaele Vitale , Edenir R. Pereira-Filho
The efficient management of electronic waste (e-waste) is a global challenge, limited by the high heterogeneity of the material, which hinders the recovery of valuable metals. This study presents an alternative approach to automated e-waste sorting, based on the hypothesis that different categories of devices have a distinctive elemental fingerprint, even after being ground and homogenized. Samples of printed circuit boards (PCBs) from three categories (computers/laptops, cellphones, and tablets) were processed and analyzed by Laser-Induced Breakdown Spectroscopy (LIBS). A total of 58 samples were systematically analyzed, with 130 individual spectra acquired per sample, yielding 7540 individual LIBS spectra for comprehensive model development. A machine learning pipeline was developed, comparing feature selection/compression strategies (ANOVA, Partial Least Squares Discriminant Analysis (PLS-DA), and Principal Component Analysis (PCA), oversampling strategies (Random OverSampler, SMOTE, ADASYN), and four well-established classification algorithms (Logistic Regression, Random Forest, KNN, and RBF-SVM). Systematic adjustment revealed distinct advantages for two approaches: PCA-RF combined with SMOTE achieved the highest classification performance (F1-score 0.7611), while ANOVA-LR (F1-score 0.7323) demonstrated superior stability and direct chemical interpretability. In external validation (conducted on an independent test set), the model obtained an F1-score of 0.7611, demonstrating high robustness and generalization ability. In addition, a Leave-One-Device-Out (LODO) validation scheme consistently yielded an average F1-score of 0.7568 across 16 different devices, confirming the robustness of the model against brand and model variability. Chemical interpretation, supported by ANOVA variable selection, permitted to identify Al, Si, Sn, Ba, Ca, Cu, K, and Na as the most relevant discriminating markers, linking statistical separation to specific characteristics such as substrate composition, miniaturized capacitors, and soldering materials. It is concluded that the proposed method is a viable and promising pre-sorting strategy for the recycling industry, enabling rapid and chemically interpretable classification.
电子废物(电子废物)的有效管理是一项全球性挑战,受到材料高度非均质性的限制,这阻碍了有价值金属的回收。本研究提出了一种自动化电子垃圾分类的替代方法,基于假设不同类别的设备具有独特的元素指纹,即使在研磨和均质化之后。采用激光诱导击穿光谱(LIBS)对三种类型(计算机/笔记本电脑、手机和平板电脑)的印刷电路板(pcb)样品进行了处理和分析。系统分析了58个样品,每个样品获得130个单独的光谱,得到7540个单独的LIBS光谱,用于综合模型的开发。开发了一个机器学习管道,比较了特征选择/压缩策略(ANOVA,偏最小二乘判别分析(PLS-DA)和主成分分析(PCA),过采样策略(Random overampler, SMOTE, ADASYN)和四种成熟的分类算法(Logistic回归,随机森林,KNN和RBF-SVM)。系统调整显示了两种方法的明显优势:PCA-RF联合SMOTE获得了最高的分类性能(f1得分为0.7611),而ANOVA-LR (f1得分为0.7323)表现出更好的稳定性和直接化学可解释性。在外部验证(在独立测试集上进行)中,模型的f1得分为0.7611,具有较高的鲁棒性和泛化能力。此外,在16种不同的设备上,Leave-One-Device-Out (LODO)验证方案始终产生0.7568的平均f1分数,证实了模型对品牌和模型可变性的鲁棒性。化学解释,由方差分析变量选择支持,允许识别Al, Si, Sn, Ba, Ca, Cu, K和Na作为最相关的区分标记,将统计分离与特定特征(如衬底成分,小型化电容器和焊接材料)联系起来。结果表明,该方法对回收行业来说是一种可行且有前景的预分类策略,可以实现快速且化学可解释的分类。
{"title":"E-waste device category classification combining LIBS and machine learning","authors":"Dennis S. Ferreira ,&nbsp;Raffaele Vitale ,&nbsp;Edenir R. Pereira-Filho","doi":"10.1016/j.microc.2026.117297","DOIUrl":"10.1016/j.microc.2026.117297","url":null,"abstract":"<div><div>The efficient management of electronic waste (e-waste) is a global challenge, limited by the high heterogeneity of the material, which hinders the recovery of valuable metals. This study presents an alternative approach to automated e-waste sorting, based on the hypothesis that different categories of devices have a distinctive elemental fingerprint, even after being ground and homogenized. Samples of printed circuit boards (PCBs) from three categories (computers/laptops, cellphones, and tablets) were processed and analyzed by Laser-Induced Breakdown Spectroscopy (LIBS). A total of 58 samples were systematically analyzed, with 130 individual spectra acquired per sample, yielding 7540 individual LIBS spectra for comprehensive model development. A machine learning pipeline was developed, comparing feature selection/compression strategies (ANOVA, Partial Least Squares Discriminant Analysis (PLS-DA), and Principal Component Analysis (PCA), oversampling strategies (Random OverSampler, SMOTE, ADASYN), and four well-established classification algorithms (Logistic Regression, Random Forest, KNN, and RBF-SVM). Systematic adjustment revealed distinct advantages for two approaches: PCA-RF combined with SMOTE achieved the highest classification performance (F1-score 0.7611), while ANOVA-LR (F1-score 0.7323) demonstrated superior stability and direct chemical interpretability. In external validation (conducted on an independent test set), the model obtained an F1-score of 0.7611, demonstrating high robustness and generalization ability. In addition, a Leave-One-Device-Out (LODO) validation scheme consistently yielded an average F1-score of 0.7568 across 16 different devices, confirming the robustness of the model against brand and model variability. Chemical interpretation, supported by ANOVA variable selection, permitted to identify Al, Si, Sn, Ba, Ca, Cu, K, and Na as the most relevant discriminating markers, linking statistical separation to specific characteristics such as substrate composition, miniaturized capacitors, and soldering materials. It is concluded that the proposed method is a viable and promising pre-sorting strategy for the recycling industry, enabling rapid and chemically interpretable classification.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117297"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146173059","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
A precision inhibitor screening strategy from complex herbal medicine for hyaluronidase based on carbon quantum dot sensing and targeted capture technology 基于碳量子点传感和靶向捕获技术的复杂草药透明质酸酶精确抑制剂筛选策略
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-14 DOI: 10.1016/j.microc.2026.117295
Mei Wang , Hui Yuan , Xinmin He , Lingling Yang , Zhigang Yang , Tao Gao , Weibiao Wang , Fen Ma , Weiman Zhang , Gidion Wilson Mening' oo , Yuping Sa , Xiaofei Chen , Guoning Chen , Xueqin Ma
Hyaluronidase (HAase), an enzyme responsible for hyaluronic acid (HA) degradation, compromises the structural integrity of HA by cleaving anti-inflammatory high-molecular-weight HA into pro-inflammatory lower molecular weight forms. Consequently, developing simple and efficient strategies for screening HAase inhibitors is of critical importance. Herein, a novel biosensing-based targeted affinity screening method was established for the identification of HAase inhibitors from complex herbal medicines. In the biosensing system, carbon dots served as fluorescent probes, while HA-functionalized gold nanoparticles acted as quenchers, and the addition of HAase induced a marked fluorescence recovery. Under optimized conditions, HAase exhibited a good linear response over the concentration range of 5.3 to 343.8 U mL−1. This method enables rapid and efficient detection of HAase inhibitory activity in complex herbal extracts. Subsequently, active components were selectively captured, separated, and identified using immobilized HAase affinity chromatography. Following validation with both negative and positive control drugs, the screening model successfully identified Rhodiola rosea L. among 43 herbal medicines as a potent HAase. Gallic acid (GA) was identified as the active constituent, exhibiting an IC50 value of 111.7 μM. Results from molecular docking and molecular dynamics simulations demonstrated a strong binding affinity between GA and HAase. Additionally, cellular experiments confirmed the anti-inflammatory activity of GA, as evidenced by its significant inhibition of LPS-induced inflammatory markers IL-4, IL-5, IL-6, and TNF-α. Collectively, the integrated biosensing and affinity-based screening strategy established in this study provides a precise and efficient platform for the discovery of bioactive compounds from complex natural products.
透明质酸酶(HAase)是一种负责透明质酸(HA)降解的酶,它通过将抗炎的高分子量HA切割成促炎的低分子量形式,从而破坏透明质酸的结构完整性。因此,开发简单有效的筛选HAase抑制剂的策略至关重要。本研究建立了一种基于生物传感的靶向亲和力筛选方法,用于鉴定复方中草药中HAase抑制剂。在生物传感系统中,碳点作为荧光探针,ha功能化金纳米粒子作为猝灭剂,加入HAase后荧光恢复明显。在优化条件下,在5.3 ~ 343.8 U mL−1的浓度范围内,HAase表现出良好的线性响应。该方法能够快速有效地检测复方草药提取物中HAase抑制活性。随后,使用固定化HAase亲和层析选择性地捕获、分离和鉴定活性成分。通过阴性对照药和阳性对照药的验证,筛选模型成功地在43种草药中鉴定出红景天为强效HAase。未食子酸(GA)为活性成分,IC50值为111.7 μM。分子对接和分子动力学模拟结果表明,GA和HAase具有很强的结合亲和力。此外,细胞实验证实了GA的抗炎活性,其显著抑制lps诱导的炎症标志物IL-4、IL-5、IL-6和TNF-α。总之,本研究建立的基于生物传感和亲和的综合筛选策略为从复杂的天然产物中发现生物活性化合物提供了一个精确而高效的平台。
{"title":"A precision inhibitor screening strategy from complex herbal medicine for hyaluronidase based on carbon quantum dot sensing and targeted capture technology","authors":"Mei Wang ,&nbsp;Hui Yuan ,&nbsp;Xinmin He ,&nbsp;Lingling Yang ,&nbsp;Zhigang Yang ,&nbsp;Tao Gao ,&nbsp;Weibiao Wang ,&nbsp;Fen Ma ,&nbsp;Weiman Zhang ,&nbsp;Gidion Wilson Mening' oo ,&nbsp;Yuping Sa ,&nbsp;Xiaofei Chen ,&nbsp;Guoning Chen ,&nbsp;Xueqin Ma","doi":"10.1016/j.microc.2026.117295","DOIUrl":"10.1016/j.microc.2026.117295","url":null,"abstract":"<div><div>Hyaluronidase (HAase), an enzyme responsible for hyaluronic acid (HA) degradation, compromises the structural integrity of HA by cleaving anti-inflammatory high-molecular-weight HA into pro-inflammatory lower molecular weight forms. Consequently, developing simple and efficient strategies for screening HAase inhibitors is of critical importance. Herein, a novel biosensing-based targeted affinity screening method was established for the identification of HAase inhibitors from complex herbal medicines. In the biosensing system, carbon dots served as fluorescent probes, while HA-functionalized gold nanoparticles acted as quenchers, and the addition of HAase induced a marked fluorescence recovery. Under optimized conditions, HAase exhibited a good linear response over the concentration range of 5.3 to 343.8 U mL<sup>−1</sup>. This method enables rapid and efficient detection of HAase inhibitory activity in complex herbal extracts. Subsequently, active components were selectively captured, separated, and identified using immobilized HAase affinity chromatography. Following validation with both negative and positive control drugs, the screening model successfully identified <em>Rhodiola rosea</em> L. among 43 herbal medicines as a potent HAase. Gallic acid (GA) was identified as the active constituent, exhibiting an IC<sub>50</sub> value of 111.7 μM. Results from molecular docking and molecular dynamics simulations demonstrated a strong binding affinity between GA and HAase. Additionally, cellular experiments confirmed the anti-inflammatory activity of GA, as evidenced by its significant inhibition of LPS-induced inflammatory markers IL-4, IL-5, IL-6, and TNF-α. Collectively, the integrated biosensing and affinity-based screening strategy established in this study provides a precise and efficient platform for the discovery of bioactive compounds from complex natural products.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117295"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386155","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
New insights into sulfur dioxide absorption in deep eutectic solvents 在深共晶溶剂中二氧化硫吸收的新见解
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-07 DOI: 10.1016/j.microc.2026.117312
Chaofan Hu , Farag M.A. Altalbawy , Krunal Vaghela , V. Vivek , Sarbeswara Hota , Devendra Singh , Mahesh Manchanda , Prakhar Tomar , Raed Alfilh , Aseel Smerat , Mehrdad Mottaghi
This study intends to accurately predict the absorption capacity of sulfur dioxide (SO₂) in deep eutectic solvents (DESs) by developing robust machine learning (ML) models. A comprehensive dataset comprising 1382 experimental and 924 calculated data points was constructed, covering 156 unique DESs derived from 22 hydrogen bond acceptors (HBAs) and 42 hydrogen bond donors (HBDs). Input variables included sigma profile descriptors (s1–s10), water content, pressure, and temperature. Fifteen ML algorithms were evaluated, including Support Vector Regression (SVR), Convolutional Neural Networks (CNN), Random Forest, XGBoost, and LightGBM. Dataset reliability was confirmed using a Monte Carlo outlier detection algorithm. Among all models, SVR and CNN attained the highest level of performance on the testing dataset, with R2 values of 0.9872 and 0.9904, mean squared errors (MSE) of 0.0015 and 0.0011, and Mean relative deviation (MRD) of 9.11% and 8.95%, respectively. The analysis identified pressure and structural descriptors (particularly s8) as key variables influencing SO₂ absorption. These results highlight the effectiveness of ML techniques in modeling gas absorption behavior in complex DES systems and support their application in the design of high-efficiency solvent systems.
本研究旨在通过开发强大的机器学习(ML)模型,准确预测二氧化硫(SO₂)在深度共晶溶剂(DESs)中的吸收能力。构建了包含1382个实验数据点和924个计算数据点的综合数据集,涵盖了来自22个氢键受体(HBAs)和42个氢键供体(HBDs)的156个独特的DESs。输入变量包括sigma剖面描述符(s1-s10)、含水量、压力和温度。评估了15种ML算法,包括支持向量回归(SVR)、卷积神经网络(CNN)、随机森林(Random Forest)、XGBoost和LightGBM。使用蒙特卡罗离群检测算法确认数据集的可靠性。在所有模型中,SVR和CNN在测试数据集上的表现最高,R2值分别为0.9872和0.9904,均方误差(MSE)为0.0015和0.0011,平均相对偏差(MRD)为9.11%和8.95%。分析确定压力和结构描述符(特别是s8)是影响SO₂吸收的关键变量。这些结果突出了ML技术在模拟复杂DES系统气体吸收行为方面的有效性,并支持其在高效溶剂系统设计中的应用。
{"title":"New insights into sulfur dioxide absorption in deep eutectic solvents","authors":"Chaofan Hu ,&nbsp;Farag M.A. Altalbawy ,&nbsp;Krunal Vaghela ,&nbsp;V. Vivek ,&nbsp;Sarbeswara Hota ,&nbsp;Devendra Singh ,&nbsp;Mahesh Manchanda ,&nbsp;Prakhar Tomar ,&nbsp;Raed Alfilh ,&nbsp;Aseel Smerat ,&nbsp;Mehrdad Mottaghi","doi":"10.1016/j.microc.2026.117312","DOIUrl":"10.1016/j.microc.2026.117312","url":null,"abstract":"<div><div>This study intends to accurately predict the absorption capacity of sulfur dioxide (SO₂) in deep eutectic solvents (DESs) by developing robust machine learning (ML) models. A comprehensive dataset comprising 1382 experimental and 924 calculated data points was constructed, covering 156 unique DESs derived from 22 hydrogen bond acceptors (HBAs) and 42 hydrogen bond donors (HBDs). Input variables included sigma profile descriptors (s1–s10), water content, pressure, and temperature. Fifteen ML algorithms were evaluated, including Support Vector Regression (SVR), Convolutional Neural Networks (CNN), Random Forest, XGBoost, and LightGBM. Dataset reliability was confirmed using a Monte Carlo outlier detection algorithm. Among all models, SVR and CNN attained the highest level of performance on the testing dataset, with R<sup>2</sup> values of 0.9872 and 0.9904, mean squared errors (MSE) of 0.0015 and 0.0011, and Mean relative deviation (MRD) of 9.11% and 8.95%, respectively. The analysis identified pressure and structural descriptors (particularly s8) as key variables influencing SO₂ absorption. These results highlight the effectiveness of ML techniques in modeling gas absorption behavior in complex DES systems and support their application in the design of high-efficiency solvent systems.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117312"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386237","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
Metal–complex assisted resonant SERS for trace-level detection of hazardous gaseous pyridine 金属配合物辅助共振SERS用于痕量有害气体吡啶的检测
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-05 DOI: 10.1016/j.microc.2026.117272
Mariia V. Samodelova , Nikita R. Yarenkov , Igor K. Solontsov , Irina A. Lemesh , Olesya O. Kapitanova , Irina A. Veselova
Pyridine and its derivatives are highly toxic and strictly regulated class of compounds, making their sensitive monitoring essential for human health and environmental safety. Despite the high sensitivity of surface-enhanced Raman scattering (SERS) for detecting various analytes, analysing volatile compounds remains difficult due to the inability to retain the analyte on noble metal nanoparticle surfaces. Herein, we demonstrate for the first time that SERS enables the sensitive, rapid and simple detection of the toxicant pyridine in gaseous form. We introduce a novel strategy that provides SERS analysis of volatile analytes, thereby expanding the scope of molecules accessible to this method. Trapping pyridine in stable transition metal–pyridine complexes enables shifting the absorption maximum from ultraviolet to the visible spectral range (500–660 nm), which is closer in energy to the plasmon absorption band of the silver nanostructured substrate and the laser energy of the Raman spectrometer. Thus, we observed sensitivity down to 5.7 mg/m3 using benchtop Raman spectrometer with a 638 nm laser wavelength, achieving detection limits below the permissible exposure limit for gaseous pyridine, due to the additional resonant enhancement. The immobilisation of transition metal ions in a porous chitosan layer on the plasmonic surface efficiently captures and retains pyridine vapours near the surface. This approach demonstrates broad potential for the trace-level monitoring of a wide class of volatile analytes by SERS.
吡啶及其衍生物是剧毒且受到严格管制的一类化合物,因此对其进行敏感监测对人类健康和环境安全至关重要。尽管表面增强拉曼散射(SERS)在检测各种分析物方面具有很高的灵敏度,但由于无法将分析物保留在贵金属纳米颗粒表面,因此分析挥发性化合物仍然很困难。在此,我们首次证明了SERS能够灵敏、快速和简单地检测气态毒物吡啶。我们介绍了一种新的策略,提供挥发性分析物的SERS分析,从而扩大了该方法可访问的分子范围。将吡啶捕获在稳定的过渡金属-吡啶配合物中,可以将吸收最大值从紫外光谱范围转移到可见光谱范围(500-660 nm),该光谱范围的能量更接近银纳米结构衬底的等离子体吸收带和拉曼光谱仪的激光能量。因此,我们使用638 nm激光波长的台式拉曼光谱仪观察到灵敏度降至5.7 mg/m3,由于额外的谐振增强,检测限低于气态吡啶的允许暴露限。在等离子体表面的多孔壳聚糖层中,过渡金属离子的固定化有效地捕获并保留了表面附近的吡啶蒸气。这种方法显示了广泛的潜力,为痕量水平监测一类广泛的挥发性分析物的SERS。
{"title":"Metal–complex assisted resonant SERS for trace-level detection of hazardous gaseous pyridine","authors":"Mariia V. Samodelova ,&nbsp;Nikita R. Yarenkov ,&nbsp;Igor K. Solontsov ,&nbsp;Irina A. Lemesh ,&nbsp;Olesya O. Kapitanova ,&nbsp;Irina A. Veselova","doi":"10.1016/j.microc.2026.117272","DOIUrl":"10.1016/j.microc.2026.117272","url":null,"abstract":"<div><div>Pyridine and its derivatives are highly toxic and strictly regulated class of compounds, making their sensitive monitoring essential for human health and environmental safety. Despite the high sensitivity of surface-enhanced Raman scattering (SERS) for detecting various analytes, analysing volatile compounds remains difficult due to the inability to retain the analyte on noble metal nanoparticle surfaces. Herein, we demonstrate for the first time that SERS enables the sensitive, rapid and simple detection of the toxicant pyridine in gaseous form. We introduce a novel strategy that provides SERS analysis of volatile analytes, thereby expanding the scope of molecules accessible to this method. Trapping pyridine in stable transition metal–pyridine complexes enables shifting the absorption maximum from ultraviolet to the visible spectral range (500–660 nm), which is closer in energy to the plasmon absorption band of the silver nanostructured substrate and the laser energy of the Raman spectrometer. Thus, we observed sensitivity down to 5.7 mg/m<sup>3</sup> using benchtop Raman spectrometer with a 638 nm laser wavelength, achieving detection limits below the permissible exposure limit for gaseous pyridine, due to the additional resonant enhancement. The immobilisation of transition metal ions in a porous chitosan layer on the plasmonic surface efficiently captures and retains pyridine vapours near the surface. This approach demonstrates broad potential for the trace-level monitoring of a wide class of volatile analytes by SERS.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117272"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147408","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
Recent advances in design, and applications of electrochemical sensors focused on green screen-printed electrodes to monitor heavy metals in food and beverage 电化学传感器的设计和应用的最新进展主要集中在绿色丝网印刷电极监测食品和饮料中的重金属
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-03 DOI: 10.1016/j.microc.2026.117192
Zohre Eskandari Alughare , Alireza Sanati , Zahra Esfandiari , Parham Joolaei Ahranjani
Heavy metals (HMs) are known as toxic and non-biodegradable pollutants. It is essential to develop a quick, and cost-effective sensing platform for the detection of HMs. Electrochemical sensor based on screen-printed electrodes (SPEs) have obtained continuous consideration in recent years by offering sensitivity, selectivity, disposability, cost-effectiveness, portability, simplicity in pretreatment steps, eco-friendly methods, and improving signal-to-noise ratio due to using a small sample volume. Various researches are being conducted to develop green sensing platforms to minimize toxic effects of reagents, materials, and solvents utilized in the structure of electroanalytical sensors to monitor HMs. Therefore, this review represents the efforts on the scope of detection of HMs based on green SPEs as eco-friendly environmental sensing systems. Moreover, it examines green electrochemical sensor design, and sensor performance in important features to present insights about practical challenges and successful approaches regarding to determination of HMs in the real samples of food and beverages. Lastly, future trends focusing on green portable electrochemical sensor development combined with artificial intelligence (AI) are highlighted. It was found that applying green modifiers for preparation of sensors based- SPEs such as non-hazardous materials, reagents, substrates as well as green synthesis methodologies can decrease or prevent environmental impact for detection of HMs. Additionally, an efficient pretreatment process can improve sensitivity and selectivity of assessment of HMs through eliminating interfering compounds. Notably, the combination of portable devices, AI and deep learning algorithms can enable to produce devices with capability of multi-analytes detection and delivering accurate and reliable results toward safety assurance and commercialization as future developments.
重金属是一种有毒的、不可生物降解的污染物。开发一种快速、经济高效的检测HMs的传感平台至关重要。近年来,基于丝网印刷电极(spe)的电化学传感器因其灵敏度、选择性、一次性、成本效益、便携性、预处理步骤简单、环保方法以及由于使用小样本量而提高的信噪比而得到了不断的关注。目前正在进行各种研究,以开发绿色传感平台,以尽量减少用于监测HMs的电分析传感器结构中所用试剂、材料和溶剂的毒性影响。因此,本综述代表了基于绿色spe作为生态友好型环境传感系统的HMs检测范围的努力。此外,它还研究了绿色电化学传感器设计和传感器性能的重要特征,以提供有关食品和饮料实际样品中HMs测定的实际挑战和成功方法的见解。最后,展望了绿色便携式电化学传感器与人工智能相结合的发展趋势。研究发现,采用绿色改性剂制备基于传感器的spe,如无害材料、试剂、衬底以及绿色合成方法,可以减少或防止对HMs检测的环境影响。此外,有效的预处理工艺可以通过消除干扰化合物来提高HMs评价的灵敏度和选择性。值得注意的是,便携式设备、人工智能和深度学习算法的结合可以生产出具有多种分析物检测能力的设备,并提供准确可靠的结果,以确保未来的安全并实现商业化。
{"title":"Recent advances in design, and applications of electrochemical sensors focused on green screen-printed electrodes to monitor heavy metals in food and beverage","authors":"Zohre Eskandari Alughare ,&nbsp;Alireza Sanati ,&nbsp;Zahra Esfandiari ,&nbsp;Parham Joolaei Ahranjani","doi":"10.1016/j.microc.2026.117192","DOIUrl":"10.1016/j.microc.2026.117192","url":null,"abstract":"<div><div>Heavy metals (HMs) are known as toxic and non-biodegradable pollutants. It is essential to develop a quick, and cost-effective sensing platform for the detection of HMs. Electrochemical sensor based on screen-printed electrodes (SPEs) have obtained continuous consideration in recent years by offering sensitivity, selectivity, disposability, cost-effectiveness, portability, simplicity in pretreatment steps, eco-friendly methods, and improving signal-to-noise ratio due to using a small sample volume. Various researches are being conducted to develop green sensing platforms to minimize toxic effects of reagents, materials, and solvents utilized in the structure of electroanalytical sensors to monitor HMs. Therefore, this review represents the efforts on the scope of detection of HMs based on green SPEs as eco-friendly environmental sensing systems. Moreover, it examines green electrochemical sensor design, and sensor performance in important features to present insights about practical challenges and successful approaches regarding to determination of HMs in the real samples of food and beverages. Lastly, future trends focusing on green portable electrochemical sensor development combined with artificial intelligence (AI) are highlighted. It was found that applying green modifiers for preparation of sensors based- SPEs such as non-hazardous materials, reagents, substrates as well as green synthesis methodologies can decrease or prevent environmental impact for detection of HMs. Additionally, an efficient pretreatment process can improve sensitivity and selectivity of assessment of HMs through eliminating interfering compounds. Notably, the combination of portable devices, AI and deep learning algorithms can enable to produce devices with capability of multi-analytes detection and delivering accurate and reliable results toward safety assurance and commercialization as future developments.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117192"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146147410","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
Stable carbon isotope and accurate mass studies for source determination and identification of cochineal insects and lake pigments 胭脂虫和湖泊色素来源测定和鉴定的稳定碳同位素和精确质量研究
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-11 DOI: 10.1016/j.microc.2026.117349
Eugenia Geddes da Filicaia , Richard P. Evershed , Ian D. Bull , David A. Peggie
Differentiation between the main types of cochineal dyestuffs, used as a principal red colourant throughout history, remains challenging. Nonetheless, accurate cochineal source identification would provide corroborating evidence to historical accounts, unveiling ancient practices and historical trade routes. Herein, stable carbon isotope analysis is proposed, for the first time, as a tool for source investigation of colourants on cultural heritage objects. Through bulk analysis, the isotopic signatures of Mexican, Armenian, and Polish cochineal insects were confirmed to reflect those of their host plants (CAM, C4, and C3, respectively). Compound-specific isotope analysis (CSIA), widely used for provenancing archaeological lipids, was then utilised to investigate the insect lipid extracts, revealing that Mexican, Armenian, and Polish cochineals have distinct fatty acid profiles and isotopic signatures. A new protocol, based on direct inlet pyrolysis-gas chromatography-combustion-isotope ratio mass spectrometry (DIP-GC-C-IRMS), was developed to target a known biomarker of the main colourant carminic acid (CA), thereby obtaining the isotopic signature of the colourant itself. Although Armenian cochineal harvested from C3 plants has not yet been investigated, results so far reveal distinct CA δ13C values (δ13CCA) for Armenian and Mexican cochineal lakes and paint replicas, suggesting that this method may be able to differentiate between the three main cochineal sources. The presence of the known marker in similar red insect-derived lakes (kermes and lac) was also investigated. In addition to providing the first example of CSIA of lake pigments, this is the first study that utilises DIP-GC-QTOF-MS/MS as a complementary technique. By offering additional structural information for CA derivatives, a structure and mechanism of formation for a newly identified biomarker is proposed.
胭脂虫染料是历史上主要的红色着色剂,区分胭脂虫染料的主要类型仍然具有挑战性。尽管如此,准确的胭脂虫来源鉴定将为历史记载提供确凿的证据,揭示古代习俗和历史贸易路线。本文首次提出了稳定碳同位素分析作为文物着色剂来源调查的工具。通过体分析,证实墨西哥、亚美尼亚和波兰胭脂虫的同位素特征反映了它们的寄主植物(分别为CAM、C4和C3)。化合物特异性同位素分析(CSIA)广泛用于考古脂质来源,然后用于研究昆虫脂质提取物,揭示墨西哥,亚美尼亚和波兰胭脂虫具有不同的脂肪酸谱和同位素特征。基于直接入口热解-气相色谱-燃烧-同位素比值质谱(DIP-GC-C-IRMS),开发了一种新的方案,针对已知的主要着色剂胭脂红酸(CA)的生物标志物,从而获得着色剂本身的同位素特征。虽然尚未对从C3植物中收获的亚美尼亚胭脂虫进行研究,但迄今为止的结果显示亚美尼亚和墨西哥胭脂虫湖和油漆复制品的CA δ13C值(δ13CCA)不同,这表明该方法可能能够区分三种主要的胭脂虫来源。在类似的红虫源湖泊(胭脂湖和紫胶湖)中也调查了已知标记物的存在。除了提供湖色颜料CSIA的第一个例子外,这是第一个利用DIP-GC-QTOF-MS/MS作为补充技术的研究。通过为CA衍生物提供额外的结构信息,提出了一种新鉴定的生物标志物的结构和形成机制。
{"title":"Stable carbon isotope and accurate mass studies for source determination and identification of cochineal insects and lake pigments","authors":"Eugenia Geddes da Filicaia ,&nbsp;Richard P. Evershed ,&nbsp;Ian D. Bull ,&nbsp;David A. Peggie","doi":"10.1016/j.microc.2026.117349","DOIUrl":"10.1016/j.microc.2026.117349","url":null,"abstract":"<div><div>Differentiation between the main types of cochineal dyestuffs, used as a principal red colourant throughout history, remains challenging. Nonetheless, accurate cochineal source identification would provide corroborating evidence to historical accounts, unveiling ancient practices and historical trade routes. Herein, stable carbon isotope analysis is proposed, for the first time, as a tool for source investigation of colourants on cultural heritage objects. Through bulk analysis, the isotopic signatures of Mexican, Armenian, and Polish cochineal insects were confirmed to reflect those of their host plants (CAM, C<sub>4</sub>, and C<sub>3</sub>, respectively). Compound-specific isotope analysis (CSIA), widely used for provenancing archaeological lipids, was then utilised to investigate the insect lipid extracts, revealing that Mexican, Armenian, and Polish cochineals have distinct fatty acid profiles and isotopic signatures. A new protocol, based on direct inlet pyrolysis-gas chromatography-combustion-isotope ratio mass spectrometry (DIP-GC-C-IRMS), was developed to target a known biomarker of the main colourant carminic acid (CA), thereby obtaining the isotopic signature of the colourant itself. Although Armenian cochineal harvested from C<sub>3</sub> plants has not yet been investigated, results so far reveal distinct CA δ<sup>13</sup>C values (δ<sup>13</sup>C<sub>CA</sub>) for Armenian and Mexican cochineal lakes and paint replicas, suggesting that this method may be able to differentiate between the three main cochineal sources. The presence of the known marker in similar red insect-derived lakes (kermes and lac) was also investigated. In addition to providing the first example of CSIA of lake pigments, this is the first study that utilises DIP-GC-QTOF-MS/MS as a complementary technique. By offering additional structural information for CA derivatives, a structure and mechanism of formation for a newly identified biomarker is proposed.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117349"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386151","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
Rapid and sensitive detection of Fusarium graminearum in maize using an RPA–CRISPR/Cas12a system RPA-CRISPR /Cas12a系统快速灵敏检测玉米禾谷镰刀菌
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-14 DOI: 10.1016/j.microc.2026.117381
Yanfen Wang , Xupeng Gao , Zhenkang Li , Hongwei Zhang , Liuhao Wang , Qiang Zhang , Feifei Sun , Feng Zhou , Hao Yu
Fusarium graminearum is a destructive fungal pathogen that causes major diseases in cereal crops like maize, wheat, and barley. In maize, it is a primary causal agent of stalk rot, leading to significant yield losses and contaminated grain with mycotoxin that threaten human and animal health. This study presents and evaluates a novel nucleic acid detection platform that combines recombinase polymerase amplification (RPA) with a CRISPR/Cas12a system for the rapid identification of F. graminearum in maize. By targeting the translation elongation factor 1α (EF-1α) gene, the assay discriminates F. graminearum from related species with high conservation. Following systematic optimization, the proposed method exhibited high sensitivity and specificity for the detection of F. graminearum using both lateral flow strips (LFS) and green fluorescence visualization. The method enabled the detection of F. graminearum DNA at concentrations as low as 0.63 pg (13 copies) within 20 min, while it reliably identified infections in maize coleoptiles and field samples as early as 4 days post-inoculation. Notably, this approach provides a novel alternative for the rapid, sensitive, and specific visualization, detection, and identification of F. graminearum without requiring specialized technical expertise or costly instrumentation. By integrating CRISPR/Cas12a specificity with the rapid amplification capability of RPA, this assay represents a powerful tool for early and accurate pathogen detection in maize production systems.
稻谷镰刀菌是一种破坏性真菌病原体,可引起玉米、小麦和大麦等谷类作物的主要疾病。在玉米中,它是导致秸秆腐烂的主要原因,导致严重的产量损失和霉菌毒素污染谷物,威胁人类和动物的健康。本研究提出并评价了一种将重组酶聚合酶扩增(RPA)与CRISPR/Cas12a系统相结合的新型核酸检测平台,用于快速鉴定玉米禾谷酵母(F. graminearum)。该方法以翻译伸长因子1α (EF-1α)基因为靶点,从具有较高保守性的近缘种中分离出谷草酵母(F. graminearum)。经过系统优化,该方法在横向流动条带(LFS)和绿色荧光可视化检测中均具有较高的灵敏度和特异性。该方法能够在20分钟内检测到低至0.63 pg(13拷贝)的玉米禾谷镰刀菌DNA,并且在接种后4天就能可靠地鉴定出玉米胚芽和田间样品的感染情况。值得注意的是,这种方法为快速、敏感和特异的可视化、检测和鉴定f.g raminearum提供了一种新的选择,而不需要专门的技术知识或昂贵的仪器。该方法将CRISPR/Cas12a的特异性与RPA的快速扩增能力相结合,为玉米生产系统中早期和准确的病原体检测提供了强有力的工具。
{"title":"Rapid and sensitive detection of Fusarium graminearum in maize using an RPA–CRISPR/Cas12a system","authors":"Yanfen Wang ,&nbsp;Xupeng Gao ,&nbsp;Zhenkang Li ,&nbsp;Hongwei Zhang ,&nbsp;Liuhao Wang ,&nbsp;Qiang Zhang ,&nbsp;Feifei Sun ,&nbsp;Feng Zhou ,&nbsp;Hao Yu","doi":"10.1016/j.microc.2026.117381","DOIUrl":"10.1016/j.microc.2026.117381","url":null,"abstract":"<div><div><em>Fusarium graminearum</em> is a destructive fungal pathogen that causes major diseases in cereal crops like maize, wheat, and barley. In maize, it is a primary causal agent of stalk rot, leading to significant yield losses and contaminated grain with mycotoxin that threaten human and animal health. This study presents and evaluates a novel nucleic acid detection platform that combines recombinase polymerase amplification (RPA) with a CRISPR/Cas12a system for the rapid identification of <em>F. graminearum</em> in maize. By targeting the translation elongation factor 1α (<em>EF-1α</em>) gene, the assay discriminates <em>F. graminearum</em> from related species with high conservation. Following systematic optimization, the proposed method exhibited high sensitivity and specificity for the detection of <em>F. graminearum</em> using both lateral flow strips (LFS) and green fluorescence visualization. The method enabled the detection of <em>F. gra</em>min<em>earum</em> DNA at concentrations as low as 0.63 pg (13 copies) within 20 min, while it reliably identified infections in maize coleoptiles and field samples as early as 4 days post-inoculation. Notably, this approach provides a novel alternative for the rapid, sensitive, and specific visualization, detection, and identification of <em>F. graminearum</em> without requiring specialized technical expertise or costly instrumentation. By integrating CRISPR/Cas12a specificity with the rapid amplification capability of RPA, this assay represents a powerful tool for early and accurate pathogen detection in maize production systems.</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117381"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386242","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
Metal substrate and DP-LIBS enhanced the spectral signal of organic elements and analyzed the evolution of CN molecules 金属底物和DP-LIBS增强了有机元素的光谱信号,分析了CN分子的演化
IF 4.9 2区 化学 Q1 CHEMISTRY, ANALYTICAL Pub Date : 2026-04-01 Epub Date: 2026-02-15 DOI: 10.1016/j.microc.2026.117419
Jiaxin Xu , Yeqiu Li , Qin Dai , Rina Wu , Qian Li , Yinguo Xie , Yizhe Zhang , Zhiwei Men
To improve the detection performance of laser-induced breakdown spectroscopy (LIBS) for organic elements, this study investigates the enhancement effect of cu, Zn, Al metal substrates combined with double-pulse LIBS (DP-LIBS) on organic element spectral lines, using azithromycin as the target analyte. The results show that different metal substrates have selectivity for element spectral line enhancement. The cu substrate significantly enhanced the C I 247.8 nm and CN 388.3 nm (B2Σ+X2Σ+, 0–0) signals due to its high thermal conductivity. The spectral line intensities of C, H, N, O, CN, C2, were enhanced up to 36 times, and the coefficient of quartile deviation (CQD) was reduced under the synergistic effect of the metal substrate and double pulses compared with a single pulse. The intensity ratio of CN/C and CN/C2 confirmed that CN was mainly derived from the reaction of C with background nitrogen. This study reveals the synergistic enhancement mechanism of metal substrate and DP-LIBS, and provides a theoretical basis for high sensitivity analysis of organic matter
为了提高激光诱导击穿光谱(LIBS)对有机元素的检测性能,本研究以阿奇霉素为目标分析物,研究了cu、Zn、Al金属衬底结合双脉冲LIBS (DP-LIBS)对有机元素谱线的增强效应。结果表明,不同的金属衬底对元素谱线增强具有选择性。cu衬底的高导热性显著增强了c1 247.8 nm和CN 388.3 nm (B2Σ+→X2Σ+, 0-0)信号。与单脉冲相比,金属衬底和双脉冲的协同作用使C、H、N、O、CN、C2的谱线强度提高了36倍,四分位偏差系数(CQD)降低。CN/C和CN/ c2的强度比证实CN主要来源于C与背景氮的反应。本研究揭示了金属底物与DP-LIBS的协同增强机理,为有机物的高灵敏度分析提供了理论依据
{"title":"Metal substrate and DP-LIBS enhanced the spectral signal of organic elements and analyzed the evolution of CN molecules","authors":"Jiaxin Xu ,&nbsp;Yeqiu Li ,&nbsp;Qin Dai ,&nbsp;Rina Wu ,&nbsp;Qian Li ,&nbsp;Yinguo Xie ,&nbsp;Yizhe Zhang ,&nbsp;Zhiwei Men","doi":"10.1016/j.microc.2026.117419","DOIUrl":"10.1016/j.microc.2026.117419","url":null,"abstract":"<div><div>To improve the detection performance of laser-induced breakdown spectroscopy (LIBS) for organic elements, this study investigates the enhancement effect of cu, Zn, Al metal substrates combined with double-pulse LIBS (DP-LIBS) on organic element spectral lines, using azithromycin as the target analyte. The results show that different metal substrates have selectivity for element spectral line enhancement. The cu substrate significantly enhanced the C I 247.8 nm and CN 388.3 nm (<span><math><mrow><msup><mi>B</mi><mn>2</mn></msup><msup><mi>Σ</mi><mo>+</mo></msup><mo>→</mo><msup><mi>X</mi><mn>2</mn></msup><msup><mi>Σ</mi><mo>+</mo></msup></mrow></math></span>, 0–0) signals due to its high thermal conductivity. The spectral line intensities of C, H, N, O, CN, C<sub>2</sub>, were enhanced up to 36 times, and the coefficient of quartile deviation (CQD) was reduced under the synergistic effect of the metal substrate and double pulses compared with a single pulse. The intensity ratio of CN/C and CN/C<sub>2</sub> confirmed that CN was mainly derived from the reaction of C with background nitrogen. This study reveals the synergistic enhancement mechanism of metal substrate and DP-LIBS, and provides a theoretical basis for high sensitivity analysis of organic matter</div></div>","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":"223 ","pages":"Article 117419"},"PeriodicalIF":4.9,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147386246","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
期刊
Microchemical Journal
全部 Acc. Chem. Res. ACS Applied Bio Materials ACS Appl. Electron. Mater. ACS Appl. Energy Mater. ACS Appl. Mater. Interfaces ACS Appl. Nano Mater. ACS Appl. Polym. Mater. ACS BIOMATER-SCI ENG ACS Catal. ACS Cent. Sci. ACS Chem. Biol. ACS Chemical Health & Safety ACS Chem. Neurosci. ACS Comb. Sci. ACS Earth Space Chem. ACS Energy Lett. ACS Infect. Dis. ACS Macro Lett. ACS Mater. Lett. ACS Med. Chem. Lett. ACS Nano ACS Omega ACS Photonics ACS Sens. ACS Sustainable Chem. Eng. ACS Synth. Biol. Anal. Chem. BIOCHEMISTRY-US Bioconjugate Chem. BIOMACROMOLECULES Chem. Res. Toxicol. Chem. Rev. Chem. Mater. CRYST GROWTH DES ENERG FUEL Environ. Sci. Technol. Environ. Sci. Technol. Lett. Eur. J. Inorg. Chem. IND ENG CHEM RES Inorg. Chem. J. Agric. Food. Chem. J. Chem. Eng. Data J. Chem. Educ. J. Chem. Inf. Model. J. Chem. Theory Comput. J. Med. Chem. J. Nat. Prod. J PROTEOME RES J. Am. Chem. Soc. LANGMUIR MACROMOLECULES Mol. Pharmaceutics Nano Lett. Org. Lett. ORG PROCESS RES DEV ORGANOMETALLICS J. Org. Chem. J. Phys. Chem. J. Phys. Chem. A J. Phys. Chem. B J. Phys. Chem. C J. Phys. Chem. Lett. Analyst Anal. Methods Biomater. Sci. Catal. Sci. Technol. Chem. Commun. Chem. Soc. Rev. CHEM EDUC RES PRACT CRYSTENGCOMM Dalton Trans. Energy Environ. Sci. ENVIRON SCI-NANO ENVIRON SCI-PROC IMP ENVIRON SCI-WAT RES Faraday Discuss. Food Funct. Green Chem. Inorg. Chem. Front. Integr. Biol. J. Anal. At. Spectrom. J. Mater. Chem. A J. Mater. Chem. B J. Mater. Chem. C Lab Chip Mater. Chem. Front. Mater. Horiz. MEDCHEMCOMM Metallomics Mol. Biosyst. Mol. Syst. Des. Eng. Nanoscale Nanoscale Horiz. Nat. Prod. Rep. New J. Chem. Org. Biomol. Chem. Org. Chem. Front. PHOTOCH PHOTOBIO SCI PCCP Polym. Chem.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1