Zhong-Lin Li, Fang-Hua Zhao, Fang Mi, Shan Zhang, Ming Guan, Jinmao You
{"title":"Smartphone-assisted ratiometric fluorescence detection of sodium salicylate based on a dual-ligand Eu(III)-MOF","authors":"Zhong-Lin Li, Fang-Hua Zhao, Fang Mi, Shan Zhang, Ming Guan, Jinmao You","doi":"10.1016/j.aca.2025.344773","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344773","url":null,"abstract":"<h3>Background</h3>Sodium salicylate (SS) is a derivative of aspirin, which plays important roles for anti-inflammatory, it is also a preservative used in food. However, excessive intake of SS will pose a threat to human health. Therefore, accurate and portable detection of SS is crucial for human health and food safety.<h3>Results</h3>Herein, a new dual-ligand Eu(III) metal-organic framework (MOF) was synthesized and applied as ratiometric fluorescence sensor for sensitive detection of SS, namely, {[Eu(1,5-NDS)<sub>0.5</sub>(Pim)(H<sub>2</sub>O)]<sub>2</sub>·3H<sub>2</sub>O}<sub>n</sub> (MOF <strong>1</strong>) (1,5-NDS<sup>2-</sup> = 1,5-naphthalenedisulfonate, Pim<sup>2-</sup> = pimelate). In the structure, the Eu(III) centers are bridged by sulfonic and carboxylic groups to form the one-dimensional (1D) [Eu(SO<sub>3</sub>)(COO)<sub>2</sub>]<sub>n</sub> chains, which are further connected by Pim<sup>2-</sup> and 1,5-NDS<sup>2-</sup> to generate a 3D framework with a trinodal (4,4,6)-connected topology. Due to the inner filter effect (IFE) and photoinduced electron transfer (PET), the blue emission of SS at 431 nm is enchanced while the red emission of Eu(III) at 623 nm is quenched after addition of SS, thus resulting in the ratiometric fluorescence response. A good linear relationship between <em>I</em><sub>431</sub>/<em>I</em><sub>623</sub> with the SS concentrations from 1 to 60 <em>μ</em>M can be obtained with the detection limits of 51.74 nM. Remarkably, the smartphone-assisted RGB method was developed for quantitative detection of SS.<h3>Significance</h3>The established ratiometric fluorescence and RGB methods can be applied to detect SS in real honey samples. This work is expected to establish an convenient and reliable strategy for SS detection.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"115 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145261252","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}
{"title":"Analytical and usability comparison of microsampling dried blood spot devices for glucocorticoid detection in sports using ultra-high-performance liquid chromatography–tandem mass spectrometry","authors":"Cheng-Chia Chen, Yu-En Lin, Mei-Chich Hsu, Yu-Chuan Lin, William Chih-Wei Chang","doi":"10.1016/j.aca.2025.344765","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344765","url":null,"abstract":"Dried blood spot (DBS) sampling offers key advantages in anti-doping testing, including minimal invasiveness, enhanced stability, and simplified logistics. While DBS has been introduced in major events such as the Tokyo 2020 and Beijing 2022 Olympics, comprehensive evaluations of commercial DBS devices specifically for glucocorticoid detection in doping control remain limited. This study evaluated four DBS devices—Whatman® 903 Protein Saver Card (Card), HemaSpot HF (Fan), Mitra® VAMS (Tip), and HemaXis DB10 (Chip)—for detecting six commonly used glucocorticoids using ultra-high-performance liquid chromatography–tandem mass spectrometry.Analytical evaluations included intra-/inter-day precision, recovery, matrix effects, Hematocrit (Hct) effects, and agreement with spiked whole blood. Usability was assessed by 20 trained participants using the System Usability Scale (SUS) and an 11-point numeric scale. Tip achieved the highest recovery (83–108%), top usability scores (SUS: 85.0 ± 8.2; numeric: 8.6 ± 0.9), and was not affected by the Hct variation. Chip showed good analytical performance and the least bias compared to whole blood. In contrast, Card and Fan exhibited lower recoveries and higher variability, particularly for methylprednisolone and triamcinolone acetonide. Matrix effects were mainly suppressive, though Fan showed enhancement for select analytes. Fan also had the lowest usability ratings and the highest sampling failure rate.Overall, Tip demonstrated the most favorable combination of analytical reliability and user usability. Chip also showed promise for accurate quantification. These results highlight the importance of selecting appropriate DBS devices and optimizing protocols for glucocorticoid analysis. Further validation and longitudinal studies are warranted to support DBS implementation in routine anti-doping programs.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"104 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255134","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}
Ian Santana Resque, José Luiz lima-Filho, Vagner Bezerra dos Santos
{"title":"Fluorescence digital image-based utilizing region of interest detection: a novel approach for chemical data interpretation in digital imaging","authors":"Ian Santana Resque, José Luiz lima-Filho, Vagner Bezerra dos Santos","doi":"10.1016/j.aca.2025.344764","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344764","url":null,"abstract":"<h3>Background</h3>Digital camera-based analysis has become an important tool in the scientific field, where colour model values are employed as quantitative information for calibration purposes. However, colour models exhibit limitations in dynamic range, which restricts the linear range of digital image-based methods. To address this issue, a novel analytical signal approach based on emission areas in digital images has been developed. This new method, termed fluorescence digital image-based analysis with region of interest detection (FDIB-ROID), is reported here for the first time for analyte determination.<h3>Results</h3>The FDIB-ROID method achieved a linear relationship between the signal and concentration by employing emission analytes across the entire visible spectrum using quinine (QN), rhodamine 6G (RDA-6G), rhodamine B (RDA-B), and 4-Dicyanomethylene-2-methyl-6-(p-dimethylaminostyryl)-4H-pyran (DCM). This approach was discovered using new portable equipment built by 3D printing, with excitation in the ultraviolet to visible region (from 300 to 800 nm) and detectability similar to that of a commercial spectrofluorometer. The concentration range obtained for QN was from 50 ng mL<sup>-1</sup> to 1000 ng mL<sup>-1</sup>, with a detection limit of 10 ng mL<sup>-1</sup> and a linear regression with an R<sup>2</sup> of 0.998. Thus, the accuracy, precision, reproducibility, and sensitivity of the method were validated by measuring QN in commercial samples. The FDIB-ROID approach has been efficiently employed in results of other studies, and the limitations of the classical approach have been overcome.<h3>Significance</h3>This new approach provides a broader analytical signal range for digital image-based methods. It overcomes the inherent limitations of relying solely on colour model values as analytical signals. A deeper understanding of ROID enables the design and development of novel tools that offer enhanced sensitivity and an extended dynamic working range.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"11 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255190","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}
Wenjun Wang , Hui Lyu , Caisa Xiao , Jie Zhu , Huaixia Chen , Qian Chen , Xueping Dang
{"title":"Preparation of cobalt porphyrin-based covalent organic framework doped poly(deep eutectic solvent-co-ethylene glycol dimethacrylate) monolithic column for pipette tip micro solid-phase extraction of estrogens","authors":"Wenjun Wang , Hui Lyu , Caisa Xiao , Jie Zhu , Huaixia Chen , Qian Chen , Xueping Dang","doi":"10.1016/j.aca.2025.344760","DOIUrl":"10.1016/j.aca.2025.344760","url":null,"abstract":"<div><h3>Background</h3><div>Estrogens are representative endocrine-disrupting chemicals that enter the environment through various pathways and pose detrimental impacts to human health even at low concentrations. Therefore, the highly sensitive detection of estrogens in complex environmental samples is crucial.</div></div><div><h3>Results</h3><div>A cobalt porphyrin-based covalent organic framework (Co-Por-COF) doped polymer monolithic column for pipette tip micro-solid phase extraction (PT-μSPE) of estrogens was prepared using deep eutectic solvent composed of choline chloride (ChCl) and itaconic acid (IA) as the functional monomer and ethylene glycol dimethacrylate (EGDMA) as the crosslinking agent. After the extraction conditions were optimized, a PT-μSPE-high performance liquid chromatography (HPLC) method was established for the detection of 6 estrogens in soil. This method demonstrated a wide linear range (5−500 ng g<sup>−1</sup>) (<em>R</em><sup>2</sup> > 0.9995), low limits of detection (0.5−1.0 ng g<sup>−1</sup>, S/N = 3) and high precision (RSDs <8.5 %), providing a reliable technique for the detection of trace estrogens in soil.</div></div><div><h3>Significance</h3><div>The Co-Por-COF doped poly (ChCl-IA-co-EGDMA) monolithic column exhibited good adsorption selectivity for estrogens. During the polymerization reaction, ChCl-IA effectively enhanced the dispersibility of Co-Por-COF, thereby improving the doping uniformity. Moreover, the doped Co-Por-COF enhanced the adsorption performance of the monolithic column for estrogens.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1380 ","pages":"Article 344760"},"PeriodicalIF":6.0,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247454","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}
{"title":"An Electrochemical Immunobiosensor Based on PVA/PDA/PEDOT Conductive Antifouling Coating for Direct Detection of CNS Injury Biomarker in Forensic Clinical Sample","authors":"Ziling Guo, Sibo Wang, Leihan Wang, Jing Wang, Menghan Li, Yumei Li, Sumin Liu, Dan Liu, Chenghong Gu, Haiping Wu, Xiaolin Yu, Ying Zhu","doi":"10.1016/j.aca.2025.344762","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344762","url":null,"abstract":"Glial fibrillary acidic protein (GFAP) has been recognized as an emerging sensitive marker of central nervous system (CNS) injury. However, there are still few reports of rapid, sensitive, and specific biosensing techniques that can be directly applied to GFAP detection in complex biomatrix samples. In this study, we propose to construct an electrochemical immunosensor based on a ternary polymer nanocoating of poly(3,4-ethylenedioxythiophene) (PEDOT), poly(dopamine) (PDA), and poly (vinyl alcohol) (PVA) that combines high-performance antifouling and electrical conductivity, which could be utilized for the direct and rapid analysis of GFAP in complex forensic clinical samples. PDA and PVA possess abundant hydrophilic groups, which may form a stable hydration layer on the surface of the coating to resist the non-specific adsorption of complex biological substrates, and PDA also confers a stable interfacial adhesion ability. In addition, PEDOT is doped in the coating through hydrogen bonding and physical entanglement effects to fulfill the high electrical conductivity, which overcomes the limitation of high resistance of traditional antifouling coatings. With the above elaborate design, the PPP coating-based electrochemical immunosensor exhibited superior anti-adsorption ability in biological samples such as hemolysis, serum, and urine, and provided a linear response to GFAP in the range of 1 ng mL<sup>-1</sup> to 1000 ng mL<sup>-1</sup>, with the limit of detection of 0.5521 ng mL<sup>-1</sup>. Encouragingly, the electrochemical immunosensor has been successfully applied to actual forensic clinical samples and accurately screened patients with central nervous system injury with high GFAP expression. Therefore, this novel electrochemical immunobiosensor is expected to provide a powerful technical support for the rapid identification of CNS injury in forensic clinics.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"65 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247616","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}
{"title":"Improving metabolomics data comparability without long term quality controls using a post-acquisition correction strategy","authors":"Elfried Salanon, Blandine Comte, Delphine Centeno, Stéphanie Durand, Julien Boccard, Estelle Pujos-Guillot","doi":"10.1016/j.aca.2025.344753","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344753","url":null,"abstract":"<h3>Background</h3>Recent advances in analytical techniques for metabolomics allowed generating data of increasing quality in terms of sensitivity and robustness, thus opening the door to its large-scale application. However, the integration of separately collected metabolomic data is currently limited by the lack of methods able to correct for the analytical bias without long-term quality controls. This significant bottleneck prevents inter-comparisons across studies and limits metabolomics impact in precision biology. Overcoming these major challenges is therefore of great importance in many application fields to improve interoperability across studies and offer more reliable and reproducible conclusions.<h3>Results</h3>In this work, we propose a post-acquisition strategy (PARSEC) to improve metabolomics data comparability that consists in a three-step workflow starting from the combined extraction of raw data from the different studies or cohorts analyzed, through standardization, to the filtering of features based on analytical quality criteria. This workflow was applied to two case studies to evaluate the performance of the developed correction approach and to compare it with the classically used locally estimated scatterplot smoothing (LOESS) method. The PARSEC strategy allowed reducing the inter-group variability, and producing a more homogeneous sample distribution. In addition, results showed an improvement in the comparability of the data in both case studies, allowing biological information initially masked by unwanted sources of variability to be revealed more clearly than with the LOESS method.<h3>Significance</h3>The proposed post-acquisition correction strategy, which combines batch-wise standardization and mixed modeling, enhances data comparability and scalability for metabolomics studies. By addressing both batch and group effects, this approach minimizes the influence of analytical conditions while preserving biological variability. Therefore, it offers a valuable tool for harmonizing datasets across different studies or cohorts without common long-term quality control samples.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"26 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255135","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}
Vishakha Parkhe , Mayuri Ghatage , Kasturi Rokade , Tukaram Dongale , Lianghao Song , Ravindra N. Bulakhe , Ji Man Kim , Arpita Pandey Tiwari
{"title":"Biowaste-derived gold nanoparticles on reduced graphene oxide: An innovative nanoplatform for the label-free immunosensing of dengue NS1","authors":"Vishakha Parkhe , Mayuri Ghatage , Kasturi Rokade , Tukaram Dongale , Lianghao Song , Ravindra N. Bulakhe , Ji Man Kim , Arpita Pandey Tiwari","doi":"10.1016/j.aca.2025.344756","DOIUrl":"10.1016/j.aca.2025.344756","url":null,"abstract":"<div><h3>Background</h3><div>Dengue virus (DENV) infection poses a considerable risk to human health, especially in tropical and subtropical regions where the probability of <em>Aedes aegypti</em> mosquito proliferation is high. To date, no effective vaccination or antiviral medicine has been available to combat dengue. Traditional detection methods are often complex, costly, time-consuming, and cumbersome. Therefore, there is a crucial need for an alternative detection method that allows for rapid and accurate identification of the DENV-specific non-structural protein 1 (NS1). The present study aims to develop biowaste-mediated gold nanoparticles on reduced graphene oxide (AuNPs/rGO) for the early detection of dengue NS1.</div></div><div><h3>Results</h3><div>Herein, a label-free electrochemical immunosensing platform based on green-synthesized (using biowaste, i.e., Potato peel extract) AuNPs in combination with rGO was designed and used for early detection of DENV-NS1. These synthesized AuNPs/rGO provide an ideal environment for immobilizing dengue-specific anti-NS1 antibodies. The immunosensor's performance was assessed through electrochemical techniques such as differential pulse voltammetry (DPV), square wave voltammetry (SWV), and electrochemical impedance spectroscopy (EIS). The immunosensor exhibited linearity with the concentrations of DENV-NS1 in 0.01–100 ng mL<sup>−1</sup>, with the limit of detection (LOD) 1.43 ng mL<sup>−1</sup> and 2.40 ng mL<sup>−1</sup> in DPV and SWV analyses, respectively. Immunosensor shows remarkable stability and reproducibility, with low relative standard deviation (RSD) values of 3.35 % and 1.43 % for DPV and 1.21 % and 0.90 % SWV, respectively. The immunosensor exhibited selectivity for DENV-NS1 against other interfering species commonly found in blood serum (bovine serum albumin (BSA), glucose, and cysteine) with minimal non-specific binding of 9.09 %, 7.04 %, and 5.64 %, respectively, in DPV analysis. In SWV analysis, the non-specific binding was 7.31 %, 6.18 %, and 5.08 %, respectively. This indicates that immunosensors can offer reliable and accurate outcomes when assessing DENV-NS1 in blood serum samples.</div></div><div><h3>Significance and novelty</h3><div>This immunosensing platform can be used to circumvent complex sample pretreatment processes and enable early and rapid detection of DENV-NS1. Hence, this method offers a rapid, selective, sensitive, and cost-effective alternative to conventional methods, eliminating the need for toxic chemical reagents.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1380 ","pages":"Article 344756"},"PeriodicalIF":6.0,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145255177","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}
Shanyou Man, Yuan Liu, Xia Yang, Ruo Yuan, Yaqin Chai
{"title":"Au NFPs Hotspot Aggregation-induced Surface-Enhanced Raman Scattering with DCHA as effective signal amplification for the Ultrasensitive detection of liver cancer markers","authors":"Shanyou Man, Yuan Liu, Xia Yang, Ruo Yuan, Yaqin Chai","doi":"10.1016/j.aca.2025.344761","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344761","url":null,"abstract":"<h3>Background</h3>The development of highly sensitive methods for detecting the liver cancer biomarker microRNA-222 (miRNA-222) is critical for early diagnosis. While surface-enhanced Raman scattering (SERS) technology holds potential, existing gold nanostructures like nanobipyramids (Au NBPs) and nanoarrows (GNAs) offer limited enhancement due to their small number of sharp corners. Furthermore, efficient signal amplification strategies are required for ultrasensitive detection. Nucleic acid amplification strategies such as HCR and CHA suffer from issues like low conversion efficiency and long reaction times, resulting in limited amplification capability.<h3>Results</h3>In this study, a surface-enhanced Raman scattering (SERS) biosensor was constructed by Gold Nano Four-Pointed Stars (Au NFPs) hotspot aggregation-induced SERS (HAI-SERS) as enhancement substrate with use of a dual catalyst hairpin assembly (DCHA) as signal amplification for ultrasensitive detection of the target microRNA-222 (miRNA-222) related to liver cancer. In the aid of the DCHA as effective signal amplification, a minute quantity of target miRNA-222 can be converted into a substantial amount of output DNA modified with Raman molecular MB to form DNA net composition containing a mass of Au NFPs as enhancement substrate, which realized rapid and ultra-sensitive detection of miRNA-222 with a low limit of detection (LOD) of 0.33 fM, and the method was also effective in detecting miRNA-222 in HCCLM3 and MHCC-97L cell lysates.<h3>Significance</h3>This strategy constructs a SERS biosensor for the ultrasensitive detection of liver cancer-associated miRNA-222. This biosensor utilizes DCHA as a signal amplifier and employs DNA to assemble Au NFPs, forming a hotspot aggregation-induced SERS (HAI-SERS) platform. This work proposes a Raman enhancement strategy based on the induction of Au NFPs aggregation hotspots, which can achieve highly sensitive detection of biomarkers and has broad application potential in early disease diagnosis.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"125 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145247618","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}
{"title":"Exploring Feature Extraction Methods for Raman Spectroscopy: A Comparative Study","authors":"Jamile Mohammad Jafari, Thomas Bocklitz","doi":"10.1016/j.aca.2025.344755","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344755","url":null,"abstract":"<h3>Background</h3>Raman spectroscopy is a robust, non-destructive analytical technique that offers detailed insights into the chemical composition, molecular structure, and interactions of materials. However, the high-dimensional and complex nature of Raman spectral data requires effective feature extraction methods to reduce data volume and improve analysis. Efficient feature extraction methods are essential to reduce dimensionality while preserving critical spectral information. This study investigates and compares four feature extraction techniques, Principal Component Analysis (PCA), Independent Component Analysis (ICA), Multivariate Curve Resolution (MCR), and Non-negative Matrix Factorization (NMF), in the context of Raman spectroscopy to assess their ability to reduce the dimensionality of high-dimensional spectral data while preserving critical chemical and biological information.<h3>Results</h3>Using simulated datasets and real bacterial Raman spectra, we assessed how each method transformed high-dimensional Raman spectra into a lower-dimensional space, focusing on the structure of the reduced representations, their interpretability in terms of chemical and biological meaning, and their effectiveness in classification tasks. PCA and ICA effectively reduced dimensionality with minimal reconstruction errors, but they produced less interpretable features due to the orthogonality and independence constraints. In contrast, MCR and NMF generated chemically meaningful features and achieved classification performance comparable to that of PCA, even with fewer components.<h3>Significance</h3>For the first time, this study provides a systematic and in-depth examination of the reduced feature spaces generated by each method, offering a comprehensive understanding of their structural properties, interpretability, and impact on classification performance. The results highlight MCR as a particularly promising method for feature extraction in Raman spectroscopy. Its ability to produce chemically interpretable features and incorporate physicochemical constraints offers a key advantage over conventional techniques such as PCA. These characteristics make MCR especially suitable for analyzing complex Raman spectral data, where both classification accuracy and interpretability are crucial.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"23 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241655","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}
Sérgio Santos-Silva, Pedro López-López, Ana Belen Perez-Jimenez, Carolina Freyre-Carrillo, Ana Fuentes, Antonio Rivero-Juarez, Wim H.M. Van der Poel, João R. Mesquita, Helena M.R. Gonçalves
{"title":"Development and Clinical Evaluation of a Nanoparticle-based Biosensor for Rapid Detection of Hepatitis E Virus in Human Serum","authors":"Sérgio Santos-Silva, Pedro López-López, Ana Belen Perez-Jimenez, Carolina Freyre-Carrillo, Ana Fuentes, Antonio Rivero-Juarez, Wim H.M. Van der Poel, João R. Mesquita, Helena M.R. Gonçalves","doi":"10.1016/j.aca.2025.344758","DOIUrl":"https://doi.org/10.1016/j.aca.2025.344758","url":null,"abstract":"Hepatitis E virus (HEV) genotype 3 is a zoonotic pathogen increasingly recognized in industrialized countries that is often linked to foodborne or animal contact transmission. While most infections are self-limited, outbreaks pose a significant public health challenge, especially in immunocompromised populations and blood donation recipients. Early-stage viral detection is critical for effective disease management and containment, since it helps to identify clusters of infection and implement public health measures to control the spread of the disease, especially in community settings, which underscores the need for innovative rapid through-put diagnostic platforms. In this study, we present the development and comprehensive analytical/clinical validation of a novel nanoparticle-based genetic biosensor, enabling rapid HEV detection directly from human serum with a turnaround time of approximately five minutes. The system consists of three individual kits, each containing nanoparticles functionalized with validated nucleic acid probes targeting conserved HEV genomic regions. When tested on clinical samples positive for HEV-3, the biosensor showed full concordance with RT-qPCR, detecting viral loads as low as <1 IU/mL. Moreover, it is a highly specific system when tested against other known human virus, namely hepatitis A, hepatitis B, cytomegalovirus and, Epstein-Barr virus. The platform is portable, cost-effective, and does not require nucleic acid extraction or amplification steps, making it highly suitable for field settings or Point-of-Care Testing (PoCT). This rapid and accessible approach holds promise for expanding diagnostic capabilities, particularly in resource-limited or field settings, where it can have a great impact on early outbreak detection, rapid diagnosis of infections, tracking disease spread, and assessing food and water safety. The development of rapid, in field tests are crucial for enabling prompt public health responses, and thus, support the global effort to eliminate viral hepatitis.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"349 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2025-10-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145241658","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}