Analytica Chimica Acta最新文献

{"title":"Multiplexed headspace paper-based analytical devices modified with silver nanoclusters for smartphone-based luminescent determination of inorganic preservatives in food samples","authors":"Nerea Villarino,&nbsp;Isela Lavilla,&nbsp;Francisco Pena-Pereira,&nbsp;Carlos Bendicho","doi":"10.1016/j.aca.2026.345136","DOIUrl":"10.1016/j.aca.2026.345136","url":null,"abstract":"<div><h3>Background</h3><div>Reliable determination of inorganic chemical preservatives is essential for ensuring food safety, due to the health concerns associated to these compounds when present at excessive levels. Nitrite and sulfite, two inorganic preservatives widely used in the food industry, increasingly demand miniaturized alternatives to conventional analytical methods. In this regard, luminescent nanosensors are of particular relevance because of their superior sensitivity. However, further improvements are still needed to enhance their selectivity and multiplexing capability, while ensuring their applicability in the analysis of complex matrices.</div></div><div><h3>Results</h3><div>The present study reports on the development of two paper-based analytical devices (PADs) involving luminescent silver nanoclusters (AgNCs) as sensing nanoreceptors for the simultaneous smartphone-assisted detection of sulfite and nitrite. The assays rely on the highly selective recognition of nitrogen oxides and sulfur dioxide by AgNCs protected with poly(methacrylate) and polyethylenimine, respectively, separately immobilized in the detection areas of PADs. Thus, in this work, AgNCs-containing PADs have been devised for the simultaneous determination of sulfite and nitrite involving <em>in situ</em> formation of the volatile derivatives and their selective trapping/interaction with the corresponding AgNCs nanoreceptors, leading to luminescence quenching. Two different configurations have been evaluated for the development of PAD-based nanosensors, namely in-vial PAD-based headspace microextraction (HS-PAD) and headspace 3D origami microfluidic PAD (HS-μPAD). Under optimal conditions, the developed assays showed limits of detection as low as 0.29 μM and 0.23 μM for sulfite and nitrite, respectively, for the HS-PAD approach, and 1.9 μM and 3.2 μM for the HS-μPAD configuration, with a repeatability expressed as relative standard deviation lower than 7.3 % (N = 8) in all cases. In addition, the developed PAD-based nanosensors were applied to the analysis of food samples, the results obtained showing excellent agreement with those obtained with reference methods.</div></div><div><h3>Significance</h3><div>This article reports, for the first time, on the assessment of AgNCs with different responsiveness as luminescent nanoprobes for the development of multiplexed paper-based nanosensors with headspace sampling. The proposed assays enable decentralized, affordable and straightforward detection of sulfite and nitrite, being complementary in terms of sample consumption and sensitivity, and represent advantageous alternatives for quality control and safety monitoring in the food industry.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345136"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033808","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":"Amplification-free one-pot RNA detection by pairing CRISPR–Cas13a with cascade amplification circuit-driven DNAzyme (RAPID)","authors":"Xiaona Yin ,&nbsp;Ziyan Zhang ,&nbsp;Hao Luo ,&nbsp;Xiaolin Qin ,&nbsp;Yang Chen ,&nbsp;Wentao Chen ,&nbsp;Heping Zheng","doi":"10.1016/j.aca.2026.345138","DOIUrl":"10.1016/j.aca.2026.345138","url":null,"abstract":"<div><div>RNA has become a versatile target for diagnosing a wide range of pathogens. The demand for rapid and accurate diagnostics in point-of-care (POC) or resource-limited settings is growing. However, most RNA-based assays depend on reverse transcription and complex instruments (e.g., RT-qPCR), restricting their use in these settings. Isothermal amplification methods provide a simpler alternative with reduced instrumentation requirements, but their high amplification efficiency raises concerns about nucleic acid carry-over contamination. To address these challenges, we developed RAPID (C<u>R</u>ISPR–Cas13a with a c<u>a</u>scade am<u>p</u>lification c<u>i</u>rcuit-driven <u>D</u>NAzyme), an isothermal, one-pot RNA detection biosensing platform that eliminates the need for sample pre-amplification. RAPID integrates the precise target recognition by CRISPR–Cas13a with robust signal amplification by a toehold-mediated strand-displacement DNA circuit, eliminating the need for reverse transcription and thermal cycling. This platform enables quantitative RNA detection within 30 min at 37 °C. By reprogramming RAPID crRNAs, we successfully detected both bacterial (e.g., <em>Treponema pallidum</em> and <em>Neisseria gonorrhoeae</em>) and viral (e.g., herpes simplex virus) targets. The RAPID platform is designed for versatile detection, being compatible with both fluorescence-based (RAPID-Flu) and lateral flow assay (RAPID-LFA) readouts. The RAPID-Flu and RAPID-LFA both demonstrated a sensitivity of 5 fM per reaction, exhibiting comparable detection limits. Both methods showed excellent specificity and high concordance with clinical diagnoses of <em>Neisseria gonorrhoeae</em>. In summary, the RAPID platform provides rapid, programmable, and visually interpretable solutions with strong potential for POC diagnostics. Its flexibility and portability make it particularly suitable for early diagnosis and on-site monitoring of diverse infectious pathogens.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345138"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146014730","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":"Accurate compositional analysis on complex mixtures via multi-task spectral data learning","authors":"Hanyang Ning ,&nbsp;Miao Ma ,&nbsp;Zhiwei Shi ,&nbsp;Liping Ding","doi":"10.1016/j.aca.2025.345050","DOIUrl":"10.1016/j.aca.2025.345050","url":null,"abstract":"<div><h3>Background:</h3><div>Accurate compositional analysis of complex mixtures directly from their overlapping spectral data is critical for advancements in materials discovery, process control, and environmental monitoring. However, existing deep learning models often lack a mechanism to enforce logical consistency, leading to physically implausible predictions, such as assigning a concentration value to a component that is simultaneously classified as absent.</div></div><div><h3>Results:</h3><div>We propose a novel multi-task learning framework to explicitly link component identification and quantification. It introduces a prediction masking mechanism where the probabilistic outputs from a multi-label classification branch directly guide the predictions of a parallel regression branch, ensuring concentrations are only predicted for components identified as present. With ResNet1D as the feature extractor, experimental results on the MetalOxides benchmark dataset show that our framework substantially outperforms common machine learning methods.</div></div><div><h3>Significance:</h3><div>This framework enforces physical plausibility in spectral predictions, providing a more logically consistent and accurate tool for complex mixture analysis. This work is significant for advancing critical applications in materials discovery, process control, and environmental monitoring that rely on dependable quantitative analysis.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345050"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146148655","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 microfluidic sample preparation for mass spectrometric analysis of wild-type and mutant BRAF protein","authors":"Yen-Heng Lin ,&nbsp;Heng-Yun Chang ,&nbsp;Chia-Chun Wu ,&nbsp;Yung-Chin Hsiao ,&nbsp;Ying-Hao Wen ,&nbsp;Jau-Song Yu","doi":"10.1016/j.aca.2026.345146","DOIUrl":"10.1016/j.aca.2026.345146","url":null,"abstract":"<div><h3>Background</h3><div>The BRAF V600E mutant protein is a valuable biomarker for the diagnosis and prognosis of colorectal cancer. Quantitative detection by mass spectrometry (MS) requires purification from complex cell extracts and digestion into surrogate peptides, a process that traditionally takes at least ∼12 h, which is time-consuming and labor-intensive, limiting clinical applicability.</div></div><div><h3>Results</h3><div>We present an automated microfluidic sample-preparation chip that integrates immunoprecipitation, multistep washing, and on-bead tryptic digestion by integrating pneumatically driven micromixers, microvalves, and magnetically guided beads. On-bead digestion was employed to eliminate multiple buffer-exchange steps, simplifying fluidic control and producing more BRAF peptides than the conventional elution–digestion workflow, in which only ∼50 % of captured proteins are recovered. Starting from clarified cell lysate, the device produces peptide samples within approximately 2.5–3 h.</div></div><div><h3>Significance and novelty</h3><div>Although individual components of the workflow have been reported previously, the present platform uniquely achieves end-to-end integration and automation of immuno–MS sample preparation. This work emphasizes operational simplicity and rapid turnaround time, providing a practical solution for MS-based mutant protein analysis in translational and precision medicine applications.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345146"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033802","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":"CRISPR/Cas12a empowered electrochemical biosensor for ultrasensitive detection of Vibrio parahaemolyticus in seafood samples","authors":"Yongfang Li ,&nbsp;Xuan Chen ,&nbsp;Zhexun Yang ,&nbsp;Zijun Wang ,&nbsp;Rui Wang","doi":"10.1016/j.aca.2026.345158","DOIUrl":"10.1016/j.aca.2026.345158","url":null,"abstract":"<div><div>Rapid and ultrasensitive detection of <em>Vibrio parahaemolyticus</em> (<em>V. parahaemolyticus</em>, V<em>p</em>) is of great significance for the early prevention of foodborne disease. Traditional methods for detecting V<em>p</em> are time-consuming, exhibiting low sensitivity and specificity. In this study, CRISPR/Cas12a system is integrated with electrochemical sensing and polymerase chain reaction (PCR) to establish a PCR-based E-CRISPR biosensor for V<em>p</em> detection. The target DNA extracted from V<em>p</em> is amplified by PCR, then activate CRISPR/Cas12a system to cleave methylene blue (MB)-labeled hairpin DNA probes on electrode, resulting in great changes in current. The employment of hairpin DNA probes reduces the steric hindrance for Cas12a <em>trans</em>-cleavage, acquiring a better cleavage efficiency and sensing performance. Under optimal conditions, the limit of detection reaches 1.17 copies/μL (genomic DNA), 1.23 CFU/mL (standard bacteria), and 12.3 CFU/g (artificially contaminated shrimp samples) respectively. Moreover, the PCR-based E-CRISPR biosensor demonstrates superior reproducibility and specificity. Most importantly, the E-CRISPR biosensor were in 100 % agreement with real time quantitative PCR for the detection of 18 seafood samples, which confirms the biosensor's broad applicability for monitoring V<em>p</em> in complex food matrix. Our developed E-CRISPR biosensor demonstrates to be a simple, rapid and ultrasensitive method for V<em>p</em> detection in the food supply chain, and can be extended to other foodborne pathogens.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345158"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146048632","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":"Size assessing of different silica-based materials by asymmetrical flow field flow fractionation: from nanometers to micrometers","authors":"L. Sanjuan-Navarro,&nbsp;P. Sanchis-Angulo,&nbsp;Y. Moliner-Martínez,&nbsp;P. Campíns-Falcó","doi":"10.1016/j.aca.2026.345162","DOIUrl":"10.1016/j.aca.2026.345162","url":null,"abstract":"<div><h3>Background</h3><div>Silica materials vary widely in size, structure, and applicability, making their accurate characterization essential for ensuring proper performance across research and industrial applications. A strategy for hydrodynamic size assessment of silica materials ranging nanometers to micrometers is proposed here. Silica nanoparticles (SiO₂NPs) of different sizes, halloysite as silica nanotubes, and silica obtained from rice straw combustion residues have been characterized employing asymmetrical flow field flow fractionation technique in combination with a DLS detector (AF4-DLS). Additional analyses were performed using scanning electron microscopy (SEM), Fourier-transform infrared spectroscopy (FTIR), and batch-mode DLS.</div></div><div><h3>Results</h3><div>Firstly, the different silica materials were dispersed using alkaline treatment. For halloysite, a detailed dispersibility assay was performed using a wide variety of compounds to identify optimal conditions for stable suspensions. The sizes of SiO₂NPs obtained by AF4-DLS ranged between 15 and 200 nm, according to the type of NPs and their aggregation state. Halloysite exhibited sizes around 240–280 nm, corresponding to the transversal length. Additionally, the functionalization of this material with pigments was evaluated. As an example of micro material, silica extracted from combustion residues of rice straw was studied, resulting in average hydrodynamic diameters reaching up to 4 μm. Finally, analytical parameters were evaluated, and the results demonstrated suitable precision values, with limit of detection (LOD) in the range of 1.5∙10⁻⁴ % (w/v) to 7.2∙10⁻⁴ % (w/v).</div></div><div><h3>Significance</h3><div>These findings demonstrate the utility of the proposed AF4-DLS analytical strategy as an effective tool for silica characterization. By enabling assessment of hydrodynamic size across nanometer to micrometer scales, this approach enhances the understanding of particle behavior, aggregation, and functionalization, thereby supporting more informed decisions in the design and applications of silica materials.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345162"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146072875","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":"Synthetic cannabinoids in hair: a review of recent findings and analytical methods by LC-MS/MS","authors":"Rafaela S. Pereira ,&nbsp;Olívia B.O. Moreira ,&nbsp;Marcone Augusto L. de Oliveira ,&nbsp;Claudiane C. Canuto ,&nbsp;Diogo O.C. Lemos ,&nbsp;Lucas M. Duarte ,&nbsp;Silvana V. Rodrigues","doi":"10.1016/j.aca.2026.345078","DOIUrl":"10.1016/j.aca.2026.345078","url":null,"abstract":"<div><h3>Background</h3><div>Synthetic cannabinoids (SCs) represent a prominent class of new psychoactive substances (NPS), defined as substances of abuse that pose a significant public health threat. SCs are characterized by their structural diversity, high potency, and associated health risks. Their continuous emergence on the illicit drug market – driven by ongoing structural modifications – poses significant challenges for analytical detection, regulation, and toxicological evaluation. Hair analysis has proven to be a valuable biological matrix in forensic toxicology, offering an extended detection window and the ability to reflect chronic exposure.</div></div><div><h3>Results</h3><div>This critical review focused on the application of liquid chromatography coupled to mass spectrometry (LC-MS/MS) for the determination of SCs in hair. The most important steps in hair sample preparation – collection, segmentation, decontamination, pulverization, and extraction – are evaluated in depth. The advantages and limitations of both low-resolution and high-resolution mass spectrometry are discussed. Comprehensive tables summarize the main methodological parameters related to sample preparation and instrumental conditions.</div></div><div><h3>Significance</h3><div>Covering studies published between 2013 and 2025, this review presents an in-depth assessment of LC-MS/MS methodologies for SCs determination in hair, from sample preparation to instrumental optimization. It also provided an updated overview of SCs, considering nomenclature and toxicological effects. The findings underscore the pressing need for continued methodological advancements to improve SCs determination, supporting more accurate toxicological interpretations and providing new insights for forensic field.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345078"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146148670","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":"Coreactant-accelerating electrochemiluminescence systems based on self-enhanced TiO2 inverse opal photonic crystals for ultrasensitive aptasensing of aflatoxin B1 in corn matrices with MoS2@Au/Pt nanocomposites as signal quencher","authors":"Zheng Xu,&nbsp;Jun Zhang,&nbsp;Shanshan Li,&nbsp;Maosen Zhao,&nbsp;Haijie Lu","doi":"10.1016/j.aca.2026.345129","DOIUrl":"10.1016/j.aca.2026.345129","url":null,"abstract":"<div><h3>Background</h3><div>Aflatoxin B1 (AFB1), as the most toxic mycotoxin, has been classified into Group 1 type of carcinogen by WHO. Developing sensitive and accurate AFB1 detection methods for safeguarding food safety is extremely necessary. Photonic crystal (PhC)-based electrochemiluminescence (ECL) is an emerging biosensing technique with advantages of near-zero background and enhanced sensitivity. However, current PhC-based ECL biosensors are mainly focused on the enhancement of light scattering and electromagnetic field, with less attention paid to the coreactant acceleration. Therefore, it is of vital importance to develop PhC as coreactant accelerator for further research to increase the versatility of PhC-based ECL biosensors.</div></div><div><h3>Results</h3><div>Herein, we developed a coreactant-accelerating ECL system based on self-enhanced TiO₂ inverse opal photonic crystals (IO–TiO₂) for ultrasensitive determination of AFB1 with MoS₂@Au/Pt nanocomposites as signal quencher. IO-TiO₂ could act as the roles of ECL emitters and coreactant accelerators, which significantly enhances the ECL emission intensity. IO-TiO₂ fabricated with 300 nm polystyrene (PS) displayed the optimal ECL performances with pore size of inverse opal at 217 nm and current density at 0.60 A/m². MoS₂@Au/Pt, as the signal probe, could obviously quench the ECL signals due to high loading capacity of MoS₂ and broad-spectrum absorbance of Pt nanoparticles. When exposed to AFB1, DNA modified MoS₂@Au/Pt nanocomposites were detached from the electrode by the specific binding between AFB1 and its aptamer and the ECL intensity of IO-TiO₂ recovered. Under the optimized conditions, an ultrasensitive ECL biosensing platform for AFB1 monitoring was constructed with a detection of limit (LOD) of 3.3 pg/mL.</div></div><div><h3>Significance</h3><div>In the analysis of real corn matrices, the ECL biosensor exhibited good practicality with acceptable recoveries and RSDs for the measurement of AFB1. Combining the self-enhanced IO-TiO₂ emitters with coreactant-accelerating ECL systems, the biosensors demonstrated high sensitivity and selectivity, which opened new venue for the rational design of ECL biosensors and offered great opportunities in food safety analysis.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1391 ","pages":"Article 345129"},"PeriodicalIF":6.0,"publicationDate":"2026-03-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146033801","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":"Implications of specific ion effects on salt-induced proteome precipitation in organic solvent","authors":"Ziheng Dang,&nbsp;Jessica L. Nickerson ,&nbsp;Alan A. Doucette","doi":"10.1016/j.aca.2026.345111","DOIUrl":"10.1016/j.aca.2026.345111","url":null,"abstract":"<div><h3>Background</h3><div>Solvent-based protein precipitation is an integral component of the proteomics workflow, as a means of concentrating and purifying proteins ahead of digestion and mass spectrometry. We previously disclosed the critical importance of ionic species above a minimal concentration to maximize protein precipitation in 80 % acetone; however, the type of salt was not varied. Specific ion effects have been examined for decades, with many exceptions to the classic Hofmeister series reported. Specifically, the relative influence of various salts has been ranked for their capacity to enhance or reverse protein solubility, but the relevance in proteome sample preparation has yet to be characterized.</div></div><div><h3>Results</h3><div>We hereby demonstrate that specific ion effects have a controlling influence on modulating protein aggregation efficiency in 80 % acetone. Distinct salts facilitate aggregation of proteins from a proteomic mixture to varying degrees in organic solvent. Moreover, we reveal a salt-specific systematic precipitation efficiency bias correlating to intrinsic protein properties. Sodium salts of chloride and sulfate were shown to strongly correlate with the protein's molecular weight and degree of aromaticity, with higher MW and aromaticity enhancing aggregation. Zinc salts of chloride and sulfate, on the other hand favored aggregation of low MW proteins. Proteins with a higher fraction of basic amino acids also showed higher precipitation efficiency for zinc salts, while higher histidine content favored precipitation with ZnCl₂ but not with ZnSO₄.</div></div><div><h3>Significance</h3><div>These results point to a combination of protein-ion, protein-solvent, and ion-solvent interactions influencing their solubility in organic solvent, with differing mechanisms of precipitation being strongly salt dependent, and provide a greater understanding of salt-mediated protein precipitation in organic solvent.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1390 ","pages":"Article 345111"},"PeriodicalIF":6.0,"publicationDate":"2026-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145968468","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":"Separation-free enantiodiscrimination of chiral pesticides via dual-stereocenter 19F NMR probes for multicomponent and environmental analysis","authors":"Xin Zhang ,&nbsp;Guangxing Gu ,&nbsp;Jiajin Weng ,&nbsp;Chenyang Wang ,&nbsp;Zixuan Ma ,&nbsp;Xiaojun Tang ,&nbsp;Yanchuan Zhao","doi":"10.1016/j.aca.2026.345141","DOIUrl":"10.1016/j.aca.2026.345141","url":null,"abstract":"<div><h3>Background</h3><div>Chiral pesticides are increasingly important in agrochemicals, with enantiomers differing significantly in bioactivity, toxicity, and environmental impact. Rapid and robust methods for resolving these enantiomers in complex matrices are essential for regulatory monitoring and mechanistic studies.</div></div><div><h3>Results</h3><div>We developed a separation-free ¹⁹F NMR chemosensing platform using dual-stereocenter ¹⁹F-labeled Pd probes. The method enables direct enantiodifferentiation of N-heterocyclic pesticides, including complex cases like difenoconazole where all four stereoisomers are fully resolved in a single ¹⁹F spectrum. Quantitative enantiomeric excess (ee values) determination shows excellent linearity, with deviations from the true ee values of less than 2 %. The platform also resolves six pesticides simultaneously in a mixture and, in soil extracts, monitors in situ stereoselective degradation, revealing significant degradation bias between enantiomers.</div></div><div><h3>Significance</h3><div>Dual-stereocenter ¹⁹F NMR probes deliver a practical alternative to chiral chromatography for pesticide residue analysis, combining operational simplicity, matrix tolerance, multicomponent capability, and quantitative rigor. The method enables direct, separation-free readout of stereochemistry and kinetics in complex samples and reveals in situ enantioselective degradation pathways. These attributes provide actionable insight for precision application, environmental risk assessment, and regulatory surveillance of chiral agrochemicals.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1390 ","pages":"Article 345141"},"PeriodicalIF":6.0,"publicationDate":"2026-03-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146014724","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}