Analytica Chimica Acta最新文献

{"title":"γ-cyclodextrin metal-organic framework-activated gold nanoclusters with water solubility as multi-enzyme mimics for simultaneous detection of pesticide and cholinesterase activity","authors":"Bing Tan ,&nbsp;Qian Wang ,&nbsp;Qiaoli Liu ,&nbsp;Yimei Wu ,&nbsp;Luyao Ban ,&nbsp;Yingli Yan ,&nbsp;Xiang Li ,&nbsp;Guifen Zhu ,&nbsp;Jing Fan ,&nbsp;Huimin Zhao","doi":"10.1016/j.aca.2025.344093","DOIUrl":"10.1016/j.aca.2025.344093","url":null,"abstract":"<div><div>Cyclodextrin metal-organic framework (CD-MOF) with environmentally friendly components has attracted enormous attention in the past few decades. However, the fragile aqueous stability has limited its application in aqueous catalysis. In this work, we have devised a novel strategy to cope with the problems by introducing the well-defined gold nanoclusters (AuNCs) onto the cyclodextrin ligand through host-guest chemistry. The combination with AuNCs endowed the fragile CD-MOF with excellent multi-enzyme mimicking catalytic abilities, including peroxidase (POD), oxidase (OXD), catalase (CAT) and glucose oxidase (GOx)-mimetic activities. Furthermore, based on its intrinsic POD-like activities, by constructing the typical enzyme cascade reaction, a colorimetric sensor based on Au₃₈/γ-CD-MOF was developed for the rapid and sensitive of carbaryl and butyrylcholinesterase (BChE) activity, respectively. In addition, combined with the smartphone, a portable paper-based sensor was developed, which could realize the on-site and semiquantitative detection of pesticide residues by identifying the RGB value. This low-cost and easy-operation portable assay shows great potential for online detection of pesticides exposure and monitoring other disease biomarkers.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1358 ","pages":"Article 344093"},"PeriodicalIF":5.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143850027","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":"Rapid filamentous fungi gene knockout identification through high-throughput droplet microfluidics","authors":"Yuwen Li ,&nbsp;Jing Dai ,&nbsp;Huan Zhang ,&nbsp;Han Zhang ,&nbsp;Adrian Guzman ,&nbsp;Song-I Han ,&nbsp;Won Bo Shim ,&nbsp;Arum Han","doi":"10.1016/j.aca.2025.344094","DOIUrl":"10.1016/j.aca.2025.344094","url":null,"abstract":"<div><div>Fungi are a diverse group of eukaryotic organisms, with over 1.5 million species inhabiting ecosystems worldwide. Many fungi grow as filaments (hyphae) and play critical ecological roles, both beneficial and harmful. Understanding their functions often requires generating knockout mutants and performing comparative analyses with wild-type strains. However, traditional methods for screening knockout mutants are labor-intensive, time-consuming, and limit the rapid identification of successful transformants. Here, we present a high-throughput droplet microfluidics platform capable of screening and sorting fungal transformants at single-cell resolution, significantly improving efficiency compared to conventional methods. The workflow involves encapsulating individual fungal transformants in pico-liter-volume water-in-oil emulsion droplets, culturing them in the presence of antibiotics, and identifying and sorting droplets containing transformants that exhibit hyphal growth. Transformants that grow in the presence of antibiotics are flagged as potential knockouts and then sorted out for confirmation through sequencing. This approach offers several advantages, including a 3-fold reduction in time for <em>Fusarium graminearum</em> protoplast growth until they can be distinguished from those exhibiting no growth, a screening throughput of up to 28,800 transformant-containing droplets per hour, and single-spore phenotyping to minimize post-processing requirements. Using this system, we successfully screened 24,000 <em>F. graminearum</em> transformants containing droplets, identified five potential transformants that exhibit growth on agar plates, of which two were confirmed via sequencing as true knockouts. These results demonstrate the utility of this droplet microfluidics-based platform as a powerful tool for accelerating fungal functional genomics and advancing our understanding of the ecological roles of fungi.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1358 ","pages":"Article 344094"},"PeriodicalIF":5.7,"publicationDate":"2025-04-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143849954","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":"A review of point-of-care (POC) and lab-on-chip (LOC) approaches in molecularly imprinted polymer-based electrochemical sensors for biomedical applications","authors":"Ahmet Cetinkaya ,&nbsp;S. Irem Kaya ,&nbsp;Sibel A. Ozkan","doi":"10.1016/j.aca.2025.344080","DOIUrl":"10.1016/j.aca.2025.344080","url":null,"abstract":"<div><h3>Background</h3><div>In terms of analytical applications, researchers aim to design and develop sensitive, selective, and effective sensors that can be used for diagnostic purposes and disease monitoring. Point-of-care (POC) and lab-on-a-chip (LOC) systems stand out as transformative systems that meet expectations and achieve goals from both perspectives. POC devices produce reliable results quickly, facilitating patient-friendly diagnostics. LOC technology, a combination of biosensors, electronics, optics, and microfluidics, directly reflects the progress in downsizing analytical techniques.</div></div><div><h3>Results</h3><div>Electrochemical sensors have a lot of potential for use in POC and LOC systems because of their high sensitivity, accuracy, specificity, low detection limits, downsizing possibilities, affordability, and ease of use. Because of their enhanced chemical and physical stability and their chemically modifiable micro- and nanoscale characteristics, molecularly imprinted polymers (MIPs) are particularly interesting for use as recognition components in POC and LOC applications. MIP-based sensors have great promise in being integrated with POC and LOC devices for application in biomedical analysis.</div></div><div><h3>Significance</h3><div>This review study discusses thoroughly how MIP-based electrochemical sensors can support the expanding field of POC/LOC diagnostics through these cutting-edge technologies. The novelty of this review study is that it specifically addresses the integration of electrochemical MIP sensors into both POC and LOC systems in terms of biomedical applications. It focuses only on the potential of MIP-based electrochemical sensors and brings together studies integrated into POC and LOC platforms.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1357 ","pages":"Article 344080"},"PeriodicalIF":5.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143846993","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":"Cell-based surface plasmon resonance approach for monitoring the inhibitory effect of Evasin-3 on Interleukin-8","authors":"Yuandi Zhao ,&nbsp;Darya Hadavi ,&nbsp;Elena Scurti ,&nbsp;Tapani Viitala ,&nbsp;Ingrid Dijkgraaf ,&nbsp;Maarten Honing","doi":"10.1016/j.aca.2025.344091","DOIUrl":"10.1016/j.aca.2025.344091","url":null,"abstract":"<div><div>Surface plasmon resonance (SPR) is a widely utilized technique for measuring the kinetics of molecular interactions. However, in dynamic living systems, the kinetics of target-ligand interactions may differ. Additionally, most cellular assays rely on end-point measurements, lacking the ability to monitor cellular interactions in real-time. In this study, a real-time cell-based SPR method was developed to investigate the inhibitory effect of small protein evasin-3 on the interaction between G protein-coupled receptors (GPCRs) and chemokine interleukin-8 (CXCL8). The interaction between CXCL8 and evasin-3 was first measured via a traditional SPR kinetic study. Their interaction was then confirmed and characterized using mass spectrometry, providing detailed insights into the complex formation of these two proteins. Endothelial EA.hy926 cells were immobilized on the SPR gold sensor, and real-time SPR response signals were monitored during stimulation with CXCL8, evasin-3 and their mixture. The results demonstrated the inhibitory effect of evasin-3 on the interaction between CXCL8 and GPCRs on EA.hy926 cells. This cell-based SPR method provides a valuable, physiologically relevant approach for studying inhibitory effects in living cells, presenting an effective alternative for analyzing complex molecular interactions.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1359 ","pages":"Article 344091"},"PeriodicalIF":5.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847017","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":"Ultrasensitive TALEs-mediated electrochemical sensor for DNA methylation detection based on RCA reaction and Exo III cyclic amplification-assisted “silver-link” crossing electrode","authors":"Jialin Zhang ,&nbsp;Mengyu Kang ,&nbsp;Jinhui Li ,&nbsp;Bin Huang ,&nbsp;Kangqiang Lu ,&nbsp;Abuliti Abudula ,&nbsp;Herui Wen ,&nbsp;Guoqing Guan","doi":"10.1016/j.aca.2025.344088","DOIUrl":"10.1016/j.aca.2025.344088","url":null,"abstract":"<div><div>Pancreatic cancer has become one of the most challenging malignant tumors. This type of cancer shows a high mortality paralleling morbidity and a rather low 5-year survival rate. Early diagnosis of the disease is the key to prevent and treat the pancreatic cancer. Cellular free DNA (cfDNA) methylation detection is a promising non-invasive method in early cancer screening, diagnosis, and prognostic monitoring. However, there are still shortcomings in developing fast, sensitive, low-cost, and quantitative methods for detecting target methylated DNA. Herein, new transcription activator-like effectors (TALEs)-mediated electrochemical sensor by rolling circle amplification (RCA)-assisted “silver-link” crossing electrode was developed for detecting DNA methylation of Ras association domain family 1 isoform A (RASSF1A) tumor suppressor genes (R-5mC). The TALEs-Ni magnetic beads could specifically recognize R-5mC and bind to target methylated DNA to trigger the RCA and catalytic hairpin assembly (CHA), thereby duplexes (H1–H2) were generated. By introducing H3 probe to cause CHA amplification and Exo III-assisted cyclic amplification strategy, large amounts of H2 probes were generated to trigger a new round of RCA reaction, long crossing DNA strands were formed between the gaps of electrodes. The “silver-link” crossing electrode was formed by metallization of “gene-link” and target was detected by recording this change in conductivity. The limit of detection (LOD) was 0.5 fM. The proposed electrochemical sensor showed good stability, high sensitivity and low detected background signal in the R-5mC detection. In addition, the R-5mC detection of cfDNA in plasma samples of cancer patients was satisfactory. This strategy is of great significance in the early screening, treatment and prognosis monitoring of pancreatic cancer.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1358 ","pages":"Article 344088"},"PeriodicalIF":5.7,"publicationDate":"2025-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143847015","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":"Monitoring nanoplastic aging in situ by moth-eye mimic plasmonic substrates","authors":"Jiayu Li ,&nbsp;Yujie Dai ,&nbsp;Zhicheng Pan ,&nbsp;Jing He ,&nbsp;Lin Chang","doi":"10.1016/j.aca.2025.344068","DOIUrl":"10.1016/j.aca.2025.344068","url":null,"abstract":"<div><div>Micro-nano plastics aging is crucial as it determines the environmental fate of each plastic particle, yet few studies involved <em>in situ</em> aging of nanoplastics. Herein, we utilized nanosphere lithography combined with goldnanorod assembly to prepare a moth-eye mimic plasmonic substrate featuring excellent SERS performance. The substrate was applied to <em>in situ</em> characterize the degradation process of PS nanoplastics during UV aging. Raman spectra evidence that the substrate is sensitive to superficial chemical changes of PS nanoplastics at initial stage during 24 h of continuous UV aging. The disruption of the benzene ring skeleton, the oxidation of the side chains of PS nanoplastics during UV aging, and the presence of oxidized methylene straight chains were identified. Practical applications in environmental sample revealed the chemical changes of PP, PS, and PE, which confirm the great potential of this SERS substrate for aging studies of nanoplastics.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1358 ","pages":"Article 344068"},"PeriodicalIF":5.7,"publicationDate":"2025-04-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143841612","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 spectroscopic detection limits with multi-pixel signal-to-noise ratio calculations: Application to the SHERLOC instrument aboard the perseverance rover","authors":"Ryan S. Jakubek ,&nbsp;Rohit Bhartia ,&nbsp;Andrew Steele ,&nbsp;Sanford A. Asher ,&nbsp;William Abbey ,&nbsp;Sergei V. Bykov ,&nbsp;Andrew D. Czaja ,&nbsp;Marc D. Fries ,&nbsp;Carina Lee ,&nbsp;Francis M. McCubbin ,&nbsp;Michelle Minitti ,&nbsp;Sunanda Sharma ,&nbsp;Kyle Uckert","doi":"10.1016/j.aca.2025.344072","DOIUrl":"10.1016/j.aca.2025.344072","url":null,"abstract":"<div><h3>Background</h3><div>The Scanning Habitable Environments with Raman and Luminescence for Organics and Chemicals (SHERLOC) instrument on NASA's Perseverance rover is a deep ultraviolet Raman and fluorescence instrument used for organic and mineral mapping of the Martian surface. Flight instrument design and operational constraints lead to observations with low signal Raman features that must be statistically differentiated from measurement noise. There are many methods to calculate signal-to-noise ratios (SNR) in the Raman literature and we find that these are not equivalent. <strong>Thus, there is a need to 1) understand the differences and assumptions within SNR calculations, 2) aid in the comparison of SNR values across literature, and 3) identify SNR calculation methods that optimize limit-of-detection (LOD) based on the instrument characteristics.</strong></div></div><div><h3>Result</h3><div>We quantitatively compare methods in which signal-to-noise ratios (SNR) are calculated in Raman spectroscopy. Methods are separated into two broad categories, multi-pixel methods that utilize information across the full Raman bandwidth and single-pixel methods that use only the center pixel in the Raman band. We compare three SNR calculation methods on a standardized SHERLOC data set and show that multi-pixel methods detect spectral bands prior to single-pixel methods. This occurs because single-pixel methods only include signal from one pixel, ignoring the remaining signal across the bandwidth. While the manuscript focuses on Raman spectroscopy for application to SHERLOC data, the SNR calculation methodology can be utilized by any technique that reports spectral data.</div></div><div><h3>Significance</h3><div>This work is the first to report significant differences between methods of calculating spectroscopic SNR. This manuscript is of broad application with at least 3 points of major impact: 1) different SNR calculation methods are not equivalent and cannot be compared across literature, 2) multi-pixel SNR methods include signal from across the entire Raman bandwidth, improving the assessment of spectral features compared to single-pixel methods, and 3) we confirm a SHERLOC signal previously interpreted as the first Raman detection of organic carbon on the martian surface.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1357 ","pages":"Article 344072"},"PeriodicalIF":5.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837484","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 integrated non-alkaline derivatization strategy using 2,2′-dithiodipyridine and HPLC for simultaneous analysis of total and low-molecular-weight free thiols in human serum","authors":"Zhiyu Shao,&nbsp;Jie Zeng,&nbsp;Jun Dong,&nbsp;Fusui Ji,&nbsp;Hongxia Li,&nbsp;Ruiyue Yang,&nbsp;Wenxiang Chen,&nbsp;Wenyu Li,&nbsp;Siming Wang","doi":"10.1016/j.aca.2025.344078","DOIUrl":"10.1016/j.aca.2025.344078","url":null,"abstract":"<div><h3>Background</h3><div>Oxidative stress is a major mechanism underlying aging and health damage, and it is associated with decreased serum free thiol levels. Monitoring serum free thiol levels provides a valuable reference for assessing the body's health status. However, it is a key challenge in clinical analysis to simultaneously monitor serum total free thiols and specific low-molecular-mass free thiol compounds in a single run. Traditional methods often struggle to avoid interference from side reactions due to the high reactivity of free thiols in alkaline derivatization environments.</div></div><div><h3>Results</h3><div>In this study, we developed an integrated non-alkaline derivatization strategy using 2,2′-dithiodipyridine and high-performance liquid chromatography. 2,2′-Dithiodipyridine can react rapidly with free thiols under acidic to neutral environments, and all derivatives exhibit similar absorbance characteristics to the substrates. Taking advantage of these properties, this method combines reliable derivatization with efficient chromatographic separation, enabling the simultaneous analysis of total free thiols and five main specific low-molecular-mass thiol compounds within a single injection cycle. Eight chromatographic peaks including free thiol derivatives, the derivatization reagent, and internal standard were observed during a 14-min analysis. The peak corresponding to 2-thiopyridone indicates the total concentration of free thiols while specific pyridyldithio derivative peaks represent the individual levels of low-molecular-mass free thiols. Using the developed method, a significant negative correlation was observed between free thiol levels and both age and health risk factors in a study involving 260 volunteers.</div></div><div><h3>Significance</h3><div>This study presents a robust and simple method for the simultaneous measurement of total free and low-molecular-mass free thiols, providing a facile technique for population analysis and for investigating the relationship between free thiols and human health.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1358 ","pages":"Article 344078"},"PeriodicalIF":5.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837483","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":"Comparison of the ACE2 receptor and monoclonal antibodies immobilisation strategies for the sensitive detection of SARS-CoV-2 variants of concern","authors":"Silvija Juciute ,&nbsp;Vincentas Maciulis ,&nbsp;Asta Luciunaite ,&nbsp;Justina Liesyte ,&nbsp;Ieva Plikusiene","doi":"10.1016/j.aca.2025.344075","DOIUrl":"10.1016/j.aca.2025.344075","url":null,"abstract":"<div><div>Investigation of antibody or receptor immobilisation and binding to the target analyte is essential for the development of effective immunoassays. In our research, we applied the combination of two surface-sensitive methods: spectroscopic ellipsometry and quartz crystal microbalance with dissipation. It enabled quantitative investigation of optical and mechanical properties of formed biomolecule layers consisting of monoclonal antibodies (mAb) or angiotensin-converting enzyme 2 (ACE2) receptors coupled with the Fc fragment, in complex with severe acute respiratory syndrome coronavirus 2 spike Omicron variant (SCoV2-oS). Random and site-directed immobilisation of ACE2 receptor gave 1.8 and 2.4 times higher dry surface mass density compared to random and site-direct mAbs immobilisation, respectively. Therefore, ACE2 had better potential for more sensitive detection of the target analyte SCoV2-oS. However, the binding of SCoV2-oS to site-directed ACE2 resulted in a low 80 ng/cm² surface mass compared to other samples. Moreover, <em>ΔD/ΔF</em> data revealed two-step binding of SCoV2-oS to ACE2 and mAbs. Furthermore, calculated affinity constants (K_D) showed that both ACE2 and mAb have high affinity to SCoV2-oS (in the range of 10⁻¹⁰ to 10⁻¹¹ M), and their orientation on the surface had only a minor impact on K_D values. Our findings in this investigation indicated that ACE2 coupled with the Fc fragment is as effective in the recognition of SARS-CoV-2 as mAbs and it can be successfully applied for the development of immunoassays. Considering SARS-CoV-2 mutates for a better S protein binding to the ACE2 receptor, using ACE2 as a biorecognition element is useful.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1357 ","pages":"Article 344075"},"PeriodicalIF":5.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837485","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":"Data fusion of elemental and metabolic fingerprints of asparagus with random forest approaches","authors":"Florian Gärber,&nbsp;Bernadette Bockmayr,&nbsp;Marina Creydt,&nbsp;Markus Fischer,&nbsp;Stephan Seifert","doi":"10.1016/j.aca.2025.344006","DOIUrl":"10.1016/j.aca.2025.344006","url":null,"abstract":"<div><h3>Background:</h3><div>Various analytical methods such as liquid chromatography-mass spectrometry (LC-MS) and inductively coupled plasma-mass spectrometry (ICP-MS) are used for the characterisation and authentication of foods. These two analytical techniques target very different parts of the complex composition of the samples and therefore fusion of the data promises better performance of the corresponding models.</div></div><div><h3>Results:</h3><div>ICP-MS and LC-MS data were fused for the classification of the geographical origin of 220 asparagus samples with random forest. The results show that the combination of elemental and metabolomic fingerprints leads to an improvement of the accuracy from approximately 88 % to 92.3 %. In particular, the fusion improves the classification of small groups, which is reflected by an increase in the Cohen’s Kappa value from around 0.7 to 0.8. Furthermore, we applied surrogate minimal depth (SMD) to elemental fingerprints and fused data of elemental and metabolomic fingerprints for the first time. This made it possible to select relevant features and evaluate their mutual impact on the classification model, illustrating the interplay of the elemental and metabolic variables in the fused random forest model.</div></div><div><h3>Significance:</h3><div>Using the classification of the geographical origin of asparagus, we show that the fusion of LC-MS and ICP-MS data is useful for improving the performance of food authentication. Furthermore, we show that SMD can be applied to analyse the mutual impact of features of single data sets but also across multiple data sets in the context of data fusion.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1357 ","pages":"Article 344006"},"PeriodicalIF":5.7,"publicationDate":"2025-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143837481","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}