Analytica Chimica Acta最新文献

{"title":"Solvent-dependent fluorescent probe with distinctly opposite sensing behavior for toxic Hg2+: application in food, plants analysis, and bioimaging","authors":"Yuanhui Xu, Xiaoqian Wu, Yongkang Zhang, Xutang Liu, Yuling Zeng, Haichang Ding, Congbin Fan, Gang Liu, Shouzhi Pu","doi":"10.1016/j.aca.2026.346494","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346494","url":null,"abstract":"Mercury ions (Hg<ce:sup loc=\"post\">2+</ce:sup>) are highly toxic heavy-metal pollutant widely distributed in the environment, it tends to accumulate in organisms and causes irreversible damage to the human nervous and metabolic systems. Therefore, the development of highly sensitive and specific detection strategies for Hg<ce:sup loc=\"post\">2+</ce:sup> is urgently required for environmental monitoring and food safety.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"101 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358961","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":"Charge-Matched Comparison Separates Net Charge from Structure in the Collision Cross Sections of Cyclic Depsipeptide–Metal Complexes","authors":"Emmanuel Nkyaagye, Thanh D. Do","doi":"10.1016/j.aca.2026.346491","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346491","url":null,"abstract":"Anion association changes net charge and may alter coordination in metal–ligand complexes, complicating structural interpretation of collision cross sections (CCS). We used drift-tube ion mobility–mass spectrometry and pre-IM activation to characterize chloride-associated complexes of beauvericin (BEA) and enniatin B (ENB), as well as nitrate-associated BEA complexes with divalent transition metals. For matched 1:2 sandwiches, anion-associated +1 ions have N<ce:inf loc=\"post\">2</ce:inf> CCS values 21.1–28.4 Å<ce:sup loc=\"post\">2</ce:sup> (5.1–6.8%) lower than their bare +2 counterparts and show a single resolved mobility feature, whereas many bare +2 ions show two. Anion-free +1 alkali-metal and +2 divalent-metal 1:2 sandwiches differ by 24.5 Å<ce:sup loc=\"post\">2</ce:sup> in mean compact CCS; because the metal changes, this is a scale comparison rather than an isolated charge effect. On identical DFT geometries, trajectory calculations give a 16.6 Å<ce:sup loc=\"post\">2</ce:sup> decrease for a +2-to-+1 charge change without structural relaxation. Charge-matched controls leave small residual differences, while cobalt chloride-to-nitrate substitution gives architecture-dependent shifts. Together, these measurements and calculations establish a substantial charge-dependent contribution to apparent CCS contraction in N<ce:inf loc=\"post\">2</ce:inf> and show how charge-matched and fixed-geometry comparisons sharpen structural interpretations.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"2 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358977","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":"Physics-Semantic Collaborative Multimodal Fusion Network with Pre-alignment for Disease Diagnosis Using Vibrational Spectroscopy","authors":"Xuguang Zhou, Cheng Chen, Jin Gu, Xiangnan Chen, Xiaoke Ma, Chen Chen, Xiangwei Zhao, Min Li, Enguang Zuo, Xiaoyi Lv","doi":"10.1016/j.aca.2026.346488","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346488","url":null,"abstract":"Raman spectroscopy and Fourier-transform infrared (FTIR) spectroscopy capture biochemical changes in clinical serum through complementary molecular-vibrational mechanisms. Differences in sampling coordinates, wavenumber ranges and input dimensions nevertheless complicate spectral fusion and interpretation. We present PSCA-Net, a multimodal fusion network based on physical pre-alignment and semantic collaboration for serum Raman–FTIR diagnosis. A data-level pre-alignment pipeline first estimates spectral-shape corrections and uses wavenumber interval binning to convert spectra of different dimensions into fixed-length tokens with traceable wavenumber intervals. One-dimensional Haar wavelet decomposition and cross-frequency attention then jointly model low-frequency envelopes and high-frequency local spectral features, while supervised contrastive learning aligns class semantics across modalities. The explicit correspondence between tokens and wavenumber intervals allows model attributions to be mapped back to spectral regions. The two independent clinical serum cohorts, comprising 388 participants in total, were modelled and evaluated separately. PSCA-Net achieved accuracies of 96.92% and 97.94% and AUCs of 0.9873 and 0.9988 in the thyroid and multi-cancer cohorts, respectively. The method combines dual-modal classification with wavenumber interval mapping to support serum spectroscopy fusion and interpretation.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"81 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358972","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":"Innovative sample preparation and LC-MS/MS analysis for isoflavone’s quantification in food of the current French diet","authors":"Audrey Gicquiau, Guillaume Coriou, Amadou-Tidiane Diallo, Bruno Le Bizec, Emmanuelle Bichon","doi":"10.1016/j.aca.2026.346485","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346485","url":null,"abstract":"Isoflavones are produced from certain classes of vegetables (mainly soybean). They have attracted considerable interest due to their purported health benefits. Nevertheless, significant discrepancies on their health effects associated with their daily consumption are reported in the literature, particularly given their structural similarity to 17β-estradiol. Furthermore, it still challenging to quantify these compounds as their concentrations and forms vary widely. Therefore, an efficient method is required, which allows analysing a wide range of isoflavones at different levels under reliable quantification in multiple food items.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"15 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149359008","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":"Microfluidic Analysis of Clustered Fetal Nucleated Red Blood Cells Facilitates Early Prediction of Gestational Diabetes Mellitus","authors":"Lin Cheng, Danyi Zou, Xin Du, Yan Yang, Xiaoling Tao, Wenjie Huang, Ziming Lu, Xingzhong Zhao, Chun Feng, Yuanzhen Zhang, Bo Cai","doi":"10.1016/j.aca.2026.346482","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346482","url":null,"abstract":"Worldwide, gestational diabetes mellitus (GDM) confers substantial health risks to both mothers and fetuses during pregnancy and in the postpartum period. Timely interventions to prevent GDM onset are critical for preserving maternal and fetal well-being. However, clinical diagnosis relying on the oral glucose tolerance test (OGTT) is generally considered unsuitable for GDM screening prior to 24 - 28 weeks of gestation. Even to date, few predictive strategies are available before the 18th gestational week.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"7 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358973","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":"HybridSERSNet: Explainable sequential classification of non-small cell lung cancer from extracellular vesicle SERS profiles","authors":"Sojin Song, Jahyun Nam, Sujin Hyung, Hong Nam Kim, Sang Jun Sim, Nakwon Choi, Young Joon Sung","doi":"10.1016/j.aca.2026.346486","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346486","url":null,"abstract":"Histological subtype classification of non-small cell lung cancer (NSCLC) directly influences therapeutic selection, yet reliable blood-based differentiation between adenocarcinoma (AC) and squamous cell carcinoma (SCC) remains challenging. Here, we developed an interpretable surface-enhanced Raman spectroscopy (SERS)-artificial intelligence (AI) framework that integrates serum-derived extracellular vesicle (EV) fingerprinting, multi-task deep learning, and hierarchical explainability analysis for NSCLC diagnosis and histological subtype classification. A multiplexed gold (Au) nanopillar-based SERS platform (MAuNP-SERS) formed elastocapillary plasmonic hotspot networks and achieved a spatial relative standard deviation (RSD) of 4.8%, while patient-level signal-to-noise ratio (SNR) analysis confirmed measurable EV-derived spectral signals across all clinical groups. To distinguish overlapping spectral profiles, we developed HybridSERSNet, a three-branch architecture integrating convolutional neural network (CNN), Transformer, and fast Fourier transform (FFT)-based representations. We trained the model for cancer vs. healthy control (HC) classification and transferred fold-specific checkpoints to AC/SCC and three-class classification tasks under patient-disjoint five-fold cross-validation. HybridSERSNet achieved patient-level area under the receiver operating characteristic curve (AUC) values of 0.9900 for NSCLC diagnosis (n = 30) and 0.9300 for AC vs. SCC discrimination (n = 20), while three-class classification achieved a macro-AUC of 0.9550. To interpret subtype-associated spectral patterns, we established a Hierarchical Consensus Framework (HCF) that integrated held-out-patient explainable AI (XAI) attributions across four methods, two fine-tuning strategies, and two related diagnostic tasks. The resulting consensus profiles identified a shared high-attribution envelope at approximately 1400–1480 cm<ce:sup loc=\"post\">-1</ce:sup> and a weaker feature near 645 cm<ce:sup loc=\"post\">-1</ce:sup>, representing candidate Raman intervals rather than molecularly identified biomarkers. These findings demonstrate the feasibility of patient-disjoint EV-SERS classification while highlighting the need for independent clinical validation and orthogonal biochemical characterization.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"7 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149359009","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":"Colorimetric detection of anthrax biomarker based on Mn2+-enhanced peroxidase-like activity of Ce-doped carbon dots","authors":"Chenyue Lin, Senhao Hu, Na Chen, Yu Zou, Hongyan Zou, Chengzhi Huang, Kehong Pu, Lei Zhan","doi":"10.1016/j.aca.2026.346480","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346480","url":null,"abstract":"Rapid and accurate identification of anthrax spores in the environment is essential for public health and safety. Herein, we report a novel colorimetric platform for the sensitive and selective detection of dipicolinic acid (DPA), a key biomarker of <ce:italic>Bacillus anthracis</ce:italic>, under neutral conditions. Ce-doped carbon dots (CeCDs<ce:inf loc=\"post\">EDTA</ce:inf>) display excellent peroxidase-like activity by catalyzing H<ce:inf loc=\"post\">2</ce:inf>O<ce:inf loc=\"post\">2</ce:inf> to produce singlet oxygen (<ce:sup loc=\"pre\">1</ce:sup>O<ce:inf loc=\"post\">2</ce:inf>) but are unable to oxidize TMB at neutral pH. To overcome this limitation, Mn<ce:sup loc=\"post\">2+</ce:sup> was introduced to convert <ce:sup loc=\"pre\">1</ce:sup>O<ce:inf loc=\"post\">2</ce:inf> into strongly oxidative Mn(III), enabling efficient TMB oxidation. In the presence of DPA, its coordination with CeCDs<ce:inf loc=\"post\">EDTA</ce:inf> blocks <ce:sup loc=\"pre\">1</ce:sup>O<ce:inf loc=\"post\">2</ce:inf> generation, reducing Mn(III) generation and inhibiting the colorimetric response. The sensor exhibited a linear range from 50 to 350 μM and a detection limit of 9.17 μM for DPA. It also achieved a spore detection limit of 3450 spores/mL in <ce:italic>Bacillus subtilis</ce:italic> simulants and showed good applicability in real samples.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"19 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358975","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":"High-throughput multi-element analysis: a wash-free spatially segregated multiplex immunoassay for heavy metals in water","authors":"M. Meyer, P. Carl, P.W. Elsinghorst","doi":"10.1016/j.aca.2026.346477","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346477","url":null,"abstract":"Pb, Cd, Hg, Ni and Cr are highly toxic contaminants and potential deliberate adulterants in food and water systems. Current reference methods like atomic absorption spectrometry (AAS) or inductively coupled plasma mass spectrometry (ICP-MS) are expensive and demanding, thus unsuitable for high-throughput or on-site applications. Conversely, commercial field tests lack trace-level sensitivity. We developed a wash-free, spatially segregated multiplex suspension array fluorescence immunoassay (SAFIA) for parallel metal quantification in aqueous matrices. Employing EDTA-functionalised microparticles and flow cytometric readout, the platform achieved IC<ce:inf loc=\"post\">20</ce:inf>-related assay quantification limits of 7.1 μg/L (Pb), 3.6 μg/L (Cd), 3.1 μg/L (Hg), 11.7 μg/L (Ni) and 8.0 μg/L (Cr). Validation across complex environmental and drinking water matrices demonstrated robust accuracy (recoveries: 81.2%–128.3%). Independent method comparison confirmed robust trueness (relative bias ≤ 20%). While commercial test strips rely on subjective, semi-quantitative visual readouts, microfluidic paper-based analytical devices (μPADs) often lack sensitivity required by stringent regulatory limits. Techniques such as laser-induced breakdown spectroscopy (LIBS) or surface enhanced raman scattering (SERS) face severe matrix interferences and reproducibility issues in aqueous samples. The developed SAFIA addresses these analytical challenges. The wash-free approach offers a rapid, user-friendly, robust and sensitive screening platform for multiple toxic metals in liquid matrices. Spatial segregation provides a practical strategy to mitigate pronounced analyte-dependent interference caused by co-localisation of assay-specific reagent populations in multi-analyte metal-EDTA immunoassays. The bead-based format is, in principle, compatible with multiplexed detection strategies employing spectrally encoded particle populations, supporting decentralised water security assessment and food defence frameworks.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"3 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358978","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":"Considerations for Quantitative Mass Spectrometry Imaging of Peptide Therapeutics in Biodistribution Studies Utilizing an in vivo Model System","authors":"Joseph H. Holbrook, Madison E. Kjar, Amanda B. Hummon, Bingming Chen","doi":"10.1016/j.aca.2026.346474","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346474","url":null,"abstract":"Quantitative mass spectrometry imaging (qMSI) is increasingly applied in both academic and industry settings, reflecting how the technique is growing in significance and versatility. Currently, the main bottle neck of qMSI studies is attributed to the lengthy process of designing a calibration curve. For studies using a mimetic tissue model for calibration curve design, the effect of tissue ionization suppression on target therapeutics is often overlooked. When constructing a mimetic tissue model, both the tissue extinction and tissue suppression coefficients should be utilized to generate a matched biological matrix background relative to treated tissues.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"81 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-11-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358979","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":"Specific Detection of Intact MicroRNA Based on Nick-Ligation Preference of T4 RNA Ligase 2","authors":"Mingqi Zhao, Ziting Song, Hongda Zhang, Shuhan Du, Ziyi Wang, Ran An, Xingguo Liang","doi":"10.1016/j.aca.2026.346469","DOIUrl":"https://doi.org/10.1016/j.aca.2026.346469","url":null,"abstract":"This study presents a novel assay for the specific detection of intact microRNAs (miRNAs) that exploits the intrinsic preference of T4 RNA ligase 2 (T4 Rnl2) for nick structures over gap structures, thereby overcoming the limitations of conventional miRNA quantification methods in discriminating the intact miRNAs from degraded miRNA species. The proposed assay employs two DNA splint strands and an RNA probe. Critically, the fully intact target miRNA hybridizes with the probe and splints to form the requisite nick structures, which are subsequently ligated by T4 Rnl2 to generate a closed circular RNA. Signal amplification is achieved via reverse transcription rolling circle amplification (RT-RCA) followed by PCR. Under optimized enzymatic conditions (0.01 U/μL T4 Rnl2, 45 °C), ligations of the tested gap structures were effectively suppressed, enabling T4 Rnl2 to specifically ligate nick structures. This selectivity enables the discrimination of intact miR159 from single-nucleotide terminally truncated variants, minimizes false-positive signals, and achieves a limit of detection of 0.224 pM, with a linear quantitative range of 1.0 pM–10 nM in standard solutions. Notably, this platform enables universal detection of different miRNA species using a single universal RNA probe, providing a robust analytical tool for miRNA functional studies and clinical diagnostics.","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"108 1","pages":""},"PeriodicalIF":6.2,"publicationDate":"2026-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149358846","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}