Analytica Chimica Acta最新文献

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Gold Nanoparticle-Assisted, Label-Free SELEX Coupled with High-Throughput NGS for Generating Highly Sensitive and Specific DNA Aptamers Targeting Aflatoxin B1 金纳米颗粒辅助,无标签SELEX结合高通量NGS生成高敏感和特异性的DNA适体靶向黄曲霉毒素B1
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344201
Shazia Shareef, P. Hariprasad
{"title":"Gold Nanoparticle-Assisted, Label-Free SELEX Coupled with High-Throughput NGS for Generating Highly Sensitive and Specific DNA Aptamers Targeting Aflatoxin B1","authors":"Shazia Shareef, P. Hariprasad","doi":"10.1016/j.aca.2025.344201","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344201","url":null,"abstract":"<h3>Background</h3>Aflatoxin B<sub>1</sub> (AFB<sub>1</sub>) is a highly toxic fungal secondary metabolite that poses serious health risks to humans and animals, prompting the development of sensitive and specific detection technologies. Aptamer-based detection strategies offer a potential alternative to traditional detection methods. This study aimed to develop AFB<sub>1</sub>-specific aptamers using a gold nanoparticles-assisted SELEX (AuNP-SELEX) approach, eliminating the need for target immobilization. In this method, aptamers bound to AFB<sub>1</sub> detach from AuNPs while unbound or weakly bound sequences remain associated. The process was further strengthened using High-Throughput SELEX (HT-SELEX), enabling the efficient screening of large libraries for aptamers with minimal off-target binding.<h3>Results</h3>Successive rounds of SELEX led to the enrichment of high-affinity aptamers, which was monitored using a colorimetric AuNP-based assay. The top four aptamers- L2, CPMA1, L1, and L3, showed strong binding affinities with dissociation constants (K<sub>d</sub>) of 1.24, 1.6, 2.55, and 5.26 nM, respectively. Circular dichroism spectroscopy confirmed conformational changes in the aptamers upon AFB<sub>1</sub> binding. A fluorescence assay using a FAM-labelled L2 aptamer and graphene oxide also achieved a detection limit of 0.53 nM.<h3>Significance</h3>This study demonstrates the effectiveness of the AuNP-assisted HT-SELEX platform as a rapid, visual, and refined method for selecting aptamers against small molecules like AFB<sub>1</sub>. The approach enhances detection sensitivity and specificity, offering a valuable tool for food safety monitoring and mycotoxin detection.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"58 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067321","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
Specific detection of DNA and RNA by the CRISPR-Cas12a system containing spacer split crRNA 利用含有间隔分裂crRNA的CRISPR-Cas12a系统特异性检测DNA和RNA
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344204
Wenjing Ren, Mingzhi Li, Xinyue Liu, Weixin You, Qianqian You, Boan Li, Huiming Ye, Rui Zhang
{"title":"Specific detection of DNA and RNA by the CRISPR-Cas12a system containing spacer split crRNA","authors":"Wenjing Ren, Mingzhi Li, Xinyue Liu, Weixin You, Qianqian You, Boan Li, Huiming Ye, Rui Zhang","doi":"10.1016/j.aca.2025.344204","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344204","url":null,"abstract":"<h3>Background</h3>The CRISPR/Cas12a system has emerged as a versatile molecular diagnostic tool due to its dual cis- and trans-cleavage activities. However, two key limitations hinder its broad application: high tolerance to single-base mismatches in DNA targets and strict reliance on DNA activators. To address these challenges, we hypothesized that structural reengineering of crRNA could enhance specificity and functional versatility. This study aimed to develop a modified Cas12a system capable of detecting DNA and RNA targets with improved single-base resolution, thereby expanding its utility in molecular diagnostics and clinical subclassification.<h3>Results</h3>We engineered split crRNAs by introducing a split site within the spacer region, creating a spacer-split crRNA-activated Cas12a system (SPCas12a). This system exhibited three key advantages: First, SPCas12a demonstrated significantly enhanced specificity in discriminating single-base mutations compared to conventional full-sized crRNA systems. Second, it bypassed the DNA activator requirement, enabling direct detection of miRNA targets without reverse transcription. In addition, AlphaFold Server predictive structural modeling analysis showed that the split site selected by SPCas12a gives the Cas12a complex an open structural domain, which is conducive to the stable function of Cas12a. Third, integration with isothermal amplification enabled constructing an \"AND\" logic gate detection platform that processes multiple inputs within 40 minutes. As a proof-of-concept, SPCas12a successfully distinguished triple-negative breast cancer (TNBC) subtype cell lines by analyzing miRNA-210 and miRNA-21 biomarkers in different cell lines.<h3>Significance</h3>SPCas12a overcomes fundamental limitations of current CRISPR diagnostics by unifying high-specificity DNA mutation detection and direct RNA sensing in a single platform. The split-crRNA design principle provides a universally adaptable strategy to enhance CRISPR-Cas systems, with immediate applications in precision oncology and infectious disease stratification where base-level discrimination and multi-target detection are critical.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"30 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067322","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
SERS hydrogel designed using a microfluidic droplet platform for label-free therapeutic drug monitoring of doxorubicin in human serum 采用微流控液滴平台设计SERS水凝胶,用于人血清中阿霉素的无标记治疗药物监测
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344203
Ying Wang, Jinru Cao, Ziwei Xu, Yaqin Zhan, Ziyu Xu, Hao Cheng, Wenyi Huang, Hongxing Kong, Jun Feng
{"title":"SERS hydrogel designed using a microfluidic droplet platform for label-free therapeutic drug monitoring of doxorubicin in human serum","authors":"Ying Wang, Jinru Cao, Ziwei Xu, Yaqin Zhan, Ziyu Xu, Hao Cheng, Wenyi Huang, Hongxing Kong, Jun Feng","doi":"10.1016/j.aca.2025.344203","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344203","url":null,"abstract":"<h3>Background</h3>Doxorubicin (DOX) is an anthracycline anticancer drug that is commonly employed in the treatment of acute leukaemia, malignant lymphoma, breast cancer and prostate cancer. Given the narrow safe dosage range and the strong toxic reaction associated with the drug, prolonged or excessive use can result in serious adverse reactions, which greatly limits its clinical application. It is therefore necessary to develop a rapid, sensitive and reproducible therapeutic drug monitoring (TDM) method for DOX in order to create an individualised dosing regimen based on the patient's specific situation, thus facilitating the precise treatment of the disease.<h3>Results</h3>We prepared hydrogel microspheres encapsulated with AgNPs as SERS substrates on a microfluidic droplet platform, utilising PEGDA as the monomer. The hydrogel microspheres have a 3D mesh structure with adjustable pore size, which facilitates the uniform dispersion of AgNPs in the hydrogel particles. This not only safeguards AgNPs from the biological matrix and enhances their stability and SERS signal reproducibility, but also facilitates the formation of denser SERS \"hotspots\" for highly sensitive SERS detection. Concurrently, the pore size of the hydrogel microspheres can preclude the interference of biomacromolecules in the biological matrix, thereby enabling the selective facilitation of the entry of small molecules. The selective, label-free SERS detection of DOX within human serum was successfully achieved by employing AgNPs@microgel SERS substrates. The linearity of DOX was demonstrated within the concentration range of 1.0 to 10<sup>5</sup> ng·mL<sup>-1</sup>, with a detection limit of 1.0 ng·mL<sup>-1</sup>.<h3>Significance</h3>The method is characterised by its rapidity, sensitivity, reproducibility, the absence of any sample pretreatment requirements and minimal sample consumption. As a consequence, it provides a new avenue for the highly sensitive and reproducible label-free detection of DOX in human serum. Meanwhile, the new method has the potential to detect more small molecule drugs, which has a broad application potential in clinical TDM.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"16 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067284","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
Adsorption of fluoroquinolones on hollow Co3S4 polyhedron sulfidated from ZIF-67 and its application of dispersed solid phase extraction prior to HPLC-UV ZIF-67硫化Co3S4中空多面体对氟喹诺酮类药物的吸附及其在HPLC-UV前分散固相萃取中的应用
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344211
Youfang Qi, Xueping Dang, Huaixia Chen
{"title":"Adsorption of fluoroquinolones on hollow Co3S4 polyhedron sulfidated from ZIF-67 and its application of dispersed solid phase extraction prior to HPLC-UV","authors":"Youfang Qi, Xueping Dang, Huaixia Chen","doi":"10.1016/j.aca.2025.344211","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344211","url":null,"abstract":"<h3>Background</h3>Developing pretreatment technique with new adsorbent is essential to improve the detection sensitivity of trace fluoroquinolones (FQs) in complex sample. Zeolite imidazole skeleton-67 (ZIF-67) has adsorbability for FQs, but its structure of rhombohedral dodecahedra may reduce the efficiency of mass transfer, and its application is limited by the instability and poor recyclability.<h3>Results</h3>A S-doped hollow Co<sub>3</sub>S<sub>4</sub> polyhedron was prepared by sulfidation of ZIF-67 with thioacetamide and applied for disperse solid phase extraction (DSPE) of four FQs. SEM and TEM confirmed its hollow structure, the BET specific surface area was 40.17 m<sup>2</sup>/g and the maximum adsorption capacity was up to 53.42 mg/g. The adsorption kinetics and isotherm of FQs on the Co<sub>3</sub>S<sub>4</sub> polyhedron were investigated. The adsorption process was a chemisorption reaction, which depends on electrostatic interaction, surface complexation, π-π interaction and hydrogen bonding. A DSPE-HPLC-UV method based on the hollow Co<sub>3</sub>S<sub>4</sub> polyhedron was developed to determine trace FQs. The method has broad linear range with LODs of 0.10 - 0.15 μg/kg and LOQs of 0.30 - 0.50 μg/kg. The intra-batch and inter-batch RSDs were less than 10%. The recovery rate of FQs in honey samples was satisfactory.<h3>Significance</h3>The hollow Co<sub>3</sub>S<sub>4</sub> polyhedron has high extraction efficiency for FQs because of the large cavities. Its maximum adsorption capacity was higher than some adsorbents and about 2 - 3 times than ZIF-67. It has better stability and repeatability. The DSPE-HPLC-UV method based on the hollow Co<sub>3</sub>S<sub>4</sub> polyhedron has high sensitivity and is dependable for the determination of trace FQs in complex sample.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"121 1","pages":"344211"},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144083350","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
Integration of ITO with Polyaniline for Scalable Smart Aptasensing Interface Design: Towards a Rainbow Assay of Carbamazepine by Green Apta-Chip 集成ITO和聚苯胺的可扩展智能aptas传感界面设计:绿色apta芯片对卡马西平的彩虹检测
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344187
Maliheh Arhami, Alireza Asghari, Faezeh Shahdost-Fard, Maryam Rajabi
{"title":"Integration of ITO with Polyaniline for Scalable Smart Aptasensing Interface Design: Towards a Rainbow Assay of Carbamazepine by Green Apta-Chip","authors":"Maliheh Arhami, Alireza Asghari, Faezeh Shahdost-Fard, Maryam Rajabi","doi":"10.1016/j.aca.2025.344187","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344187","url":null,"abstract":"Carbamazepine (CBZ) is an FDA-approved drug for controlling abnormal nerve impulses in the nervous system and brain. Despite the advantages, its overdose causes suicide cases. Close dosage monitoring of CBZ without complex equipment is essential to guarantee its safety and effectiveness from a medicolegal view. This study introduces a novel technology in fabricating the advanced aptasensing interface as the multi-mode Apta-Chip for the electrochemical and visual detection of the CBZ drug in human biofluids based on the green analytical chemistry (GCA) principles. The cornerstone of this study is the integration of the unique electrochromic behavior of polyaniline (PANI) as the sensing platform that undergoes an electric-induced change in coloration and excellent properties of the aptamer (Apt) sequence as the highly selective bioreceptor to CBZ. The molecular dynamic (MD) simulation investigation confirms the conformation changes of the Apt sequence upon incubating CBZ to trap it. The current decrease and resistance increase of the Apta-Chip surface induced by the CBZ/Apt complex forming provides an electrochemical measurement of CBZ by a linear dynamic range (LDR) value from 1 fM to 900 nM and a limit of detection (LOD) value of 333.33 aM. Additionally, different oxidation degrees of PANI in the presence of varying concentrations of CBZ provide a rainbow color switching of the Apta-Chip surface from dark blue to green and yellow colors, corresponding to low, medium and high concentrations, respectively. The utilizing safe and biocompatible chemicals, the unique platform with scalable and miniature size as well as <strong>user-friendliness methodology</strong> in the high selective Apta-Chip fabrication not only guarantee its applicability as the clinical point of care (PoC) device but also offer promising directions that pave the way for progress in other visual home kits for the assay of various analytes.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"7 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067325","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
Precise detection of the low-quality cooking oil by monodisperse droplet generation in a flow-focusing microdroplet generator 用流动聚焦微液滴发生器产生单分散液滴的方法精确检测劣质食用油
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344143
Wen Zeng, Bohang Wang, Honglong Chang, Lomakin Vladimir Olegovich
{"title":"Precise detection of the low-quality cooking oil by monodisperse droplet generation in a flow-focusing microdroplet generator","authors":"Wen Zeng, Bohang Wang, Honglong Chang, Lomakin Vladimir Olegovich","doi":"10.1016/j.aca.2025.344143","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344143","url":null,"abstract":"<h3>Background</h3>To precisely and efficiently detect the low-quality cooking oil is of great importance to guarantee the food safety in our daily life. Due to the complexity of its origin, the convenient and effective detection methods are still under research.<h3>Results</h3>In a flow-focusing microdroplet generator, a new method is provided to detect the low-quality cooking oil based on droplet microfluidics. By controlling the driving pressure of the continuous and the disperse phase, monodisperse water-in-oil droplets can be formed in the flow-focusing microchannel. In particular, as the droplet size is varying with the fluid viscosity and the viscosity of the low-quality cooking oil is different from that of the high-quality cooking oil, therefore, various types of the edible oil samples can be distinguished by measuring the droplet size. Especially by using the method of image processing, the size of the droplets can be measured accurately in the flow-focusing microchannel, which can significantly improve the detection accuracy of the low-quality cooking oil.<h3>Significance</h3>In particular, for a specific design of the flow-focusing microdroplet generator, this new method can also provide high reliability for the detection of the deep refined cooking oil based on droplet microfluidics.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"80 1","pages":"344143"},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144083355","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
Luxuriant Foliage: High-Sensitivity Detection of Saxitoxin Using an Enzyme-Assisted Double-Cycling Amplification SERS Aptamer Sensor 叶面繁茂:利用酶辅助双循环扩增SERS适体传感器高灵敏度检测蛤蚌毒素
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344213
{"title":"Luxuriant Foliage: High-Sensitivity Detection of Saxitoxin Using an Enzyme-Assisted Double-Cycling Amplification SERS Aptamer Sensor","authors":"","doi":"10.1016/j.aca.2025.344213","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344213","url":null,"abstract":"Saxitoxin (STX), one of the most toxic marine toxins known, poses severe risks to marine ecosystems and human health through contaminated seafood. Eff…","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"313 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067498","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 Novel Zn2+ Probe for Fluorescent Monitoring of Drug and E6/E7 Protein Interaction in Living Cells 一种新型Zn2+探针用于荧光监测活细胞中药物与E6/E7蛋白相互作用
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-17 DOI: 10.1016/j.aca.2025.344202
Zhenzhen Xie, Lan Yu, Zuoping Li, Na Zhao, Shiwan You, Zhihao Zhao, Jindi Dou, Xiling Deng, Shiguo Sun
{"title":"A Novel Zn2+ Probe for Fluorescent Monitoring of Drug and E6/E7 Protein Interaction in Living Cells","authors":"Zhenzhen Xie, Lan Yu, Zuoping Li, Na Zhao, Shiwan You, Zhihao Zhao, Jindi Dou, Xiling Deng, Shiguo Sun","doi":"10.1016/j.aca.2025.344202","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344202","url":null,"abstract":"<h3>Background</h3>The zinc-binding sites within the human papillomavirus (HPV) E6/E7 oncoproteins play a critical role in maintaining structural stability and represent promising therapeutic targets due to their cysteine-mediated Zn<sup>2+</sup> coordination. Zn<sup>2+</sup> dissociation from these sites serves as a key indicator of direct drug-protein interactions. However, evaluating such interactions is challenging, as E6/E7 proteins localize in the nucleus, necessitating probes capable of traversing both cellular and nuclear membranes while retaining target specificity and real-time monitoring capabilities under physiological conditions.<h3>Results</h3>A nuclear membrane-permeable Zn<sup>2+</sup> fluorescent probe, <strong>NTAD-N2</strong>, was developed for real-time monitoring of Zn<sup>2+</sup> dynamics in living SiHa cervical cancer cells. This probe-based platform was used to evaluate drug efficacy in inducing Zn<sup>2+</sup> release from HPV16 E6/E7 proteins. Extracellular assays showed disulfiram surpassed ebselen in liberating Zn<sup>2+</sup> from recombinant proteins. Intracellularly, ebselen induced significant Zn<sup>2+</sup> release at 5 μM, while disulfiram required 60 μM. This extracellular/intracellular difference in drug efficacy suggests that the bioavailability of disulfiram was influenced by the complex intracellular microenvironment. Specificity was verified through the use of HPV-negative C33A cells as a negative control, where no Zn<sup>2+</sup> release was detected. Western blot analysis demonstrated that disulfiram-induced Zn<sup>2+</sup> release at 60 μM resulted from E6/E7 protein degradation, establishing that intracellular Zn<sup>2+</sup> accumulation originated specifically from E6/E7 protein destabilization.<h3>Significance</h3>This study established a novel approach to evaluate zinc-site-targeting drug candidates in live-cell systems, bridging the gap between molecular targeting and cellular efficacy. Furthermore, it underscores the therapeutic potential of disrupting zinc coordination in viral oncoproteins, offering a framework for developing precision interventions against HPV-associated malignancies. This strategy may accelerate the discovery of metalloprotein-targeted therapies for viral infections and related cancers.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"30 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144067510","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
Interval Resonance Analysis (InRA): A Versatile Tool for Automated Untargeted 1H NMR Fingerprinting – A Case Study in Sugar Beet Field Authentication 区间共振分析(InRA):用于自动非靶向1H核磁共振指纹识别的多功能工具-甜菜田认证案例研究
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-15 DOI: 10.1016/j.aca.2025.344175
Cristian A. Fuentes, David Montoya, Mecit Öztop, Macarena Rojas-Rioseco, Martin Bravo, Francisca González, Rosario del P. Castillo
{"title":"Interval Resonance Analysis (InRA): A Versatile Tool for Automated Untargeted 1H NMR Fingerprinting – A Case Study in Sugar Beet Field Authentication","authors":"Cristian A. Fuentes, David Montoya, Mecit Öztop, Macarena Rojas-Rioseco, Martin Bravo, Francisca González, Rosario del P. Castillo","doi":"10.1016/j.aca.2025.344175","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344175","url":null,"abstract":"<h3>Background</h3>The extraction of relevant information from proton nuclear magnetic resonance (<sup>1</sup>H NMR) spectra through preprocessing and multivariate analysis requires integrating multiple software tools and extensive manual intervention, compromising efficiency and reproducibility when the technique is used. Consequently, the development of automated, versatile, and reliable methodologies has become imperative to streamline workflows, improve analytical performance, and broaden the applicability of multivariate methods for the analysis of diverse sample types and experimental conditions.<h3>Results</h3>This work presents the development and application of Interval Resonance Analysis (InRA), an alternative software tool focused on <sup>1</sup>H NMR multivariate analysis. InRA includes a novel algorithm for resonance signal detection (intervals), specifically designed to operate with flexibility across diverse <sup>1</sup>H NMR spectra. All intervals are integrated using multivariate curve resolution with alternating least squares (MCR–ALS) and analyzed by exploratory analysis. The performance of InRA was tested by evaluating the <sup>1</sup>H NMR spectra of hydrophilic sugar beet root extracts cultivated in three different fields and their discrimination by partial least squares – discriminant analysis (PLS–DA). The workflow provided by InRA yielded consistent results regarding the distribution of samples according to their field, enabling the identification of subtle sources of variation and achieving classification accuracies ≥ 88.9%.<h3>Significance</h3>The proposed methodology represents an advancement in the multivariate analysis of <sup>1</sup>H NMR spectra for untargeted studies and enhances analytical efficiency by reducing manual intervention and reliance on analyst experience. InRA is versatile and can be applied to various sample types and analytical objectives, as it is not restricted by specific experimental conditions.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"6 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143979937","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 portable instrument-assisted and dual-model sensor array with distinguished color change for the point-of-care identification of tetracycline antibiotics 一种可携式仪器辅助、可分辨颜色变化的双模传感器阵列用于四环素类抗生素的即时识别
IF 6.2 2区 化学
Analytica Chimica Acta Pub Date : 2025-05-15 DOI: 10.1016/j.aca.2025.344196
Wenhao Li, Shenghao Meng, Junxia Wang, Manman Wang, Yu He
{"title":"A portable instrument-assisted and dual-model sensor array with distinguished color change for the point-of-care identification of tetracycline antibiotics","authors":"Wenhao Li, Shenghao Meng, Junxia Wang, Manman Wang, Yu He","doi":"10.1016/j.aca.2025.344196","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344196","url":null,"abstract":"<h3>Background</h3>The development of a facile sensor array for the identification of multiple tetracyclines (TCs) is highly promising, considering their similar chemical structures and the associated challenges to public health and food safety. Herein, we explored a dual-model sensor array (ratiometric fluorescence and colorimetric method) for detection and identification of multiple TCs.<h3>Results</h3>Three types of ratiometric fluorescent probes based on blue carbon dots (Mg,N-CDs): Mg,N-CDs/MOF-5, Mg,N-CDs/Eu-MOFs, and Mg,N-CDs/Eu-MOFs@Rh-6G, were synthesized as sensing elements. Based on a multi-channel strategy involving the changed signals of the sensing elements, all three probes were able to generate multi-signal fluorescence responses. Under a 365 nm UV lamp, these fluorescence responses were accompanied by obvious color changes (blue to green, blue to red, yellow to red), providing an efficient strategy for on-site quantitative analysis of TCs, including tetracycline (TC), oxytetracycline (OTC), chlortetracycline (CTC), metacycline (MTC), doxycycline (DOX), and doxycycline hyclate (DTC). A handheld portable 3D-printed platform was also constructed to further enhance the convenience and practicality of detection. This platform utilized the unique ratiometric fluorescence and visual responses of the probes to generate different \"fingerprints\" for each TC. Effective detection and identification of TCs and their mixtures were achieved by linear discriminant analysis (LDA) and hierarchical cluster analysis (HCA).<h3>Significance</h3>The sensitivity of the sensor array based on color change of ratiometric fluorescence was much higher than that of the conventional colorimetric sensor array. Thus, this method not only enriches the techniques for detection of TCs, but also introduces a low-cost, high-performance, dual-model detection tool for on-site analysis.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"28 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143979936","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}
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