Analytica Chimica Acta最新文献

{"title":"Dendritic mixed-mode stationary phases prepared by thiol-epoxy click reaction for the determination of bisphenols in a variety of complex samples","authors":"Wuji Shuoti,&nbsp;Ruihan Peng,&nbsp;Xuemei Wang,&nbsp;Qiuxia Liu,&nbsp;Yixin Huang,&nbsp;Lishuo Liu,&nbsp;Yanyu Jiang,&nbsp;Jie Wen,&nbsp;Lian Zhong,&nbsp;Lujun Wang","doi":"10.1016/j.aca.2026.345216","DOIUrl":"10.1016/j.aca.2026.345216","url":null,"abstract":"<div><h3>Background</h3><div>Bisphenols are widely used in thermal paper, inks, coatings, and other fields. Among them, abnormal concentrations of bisphenol A (BPA) can disrupt the human endocrine system, making it essential to closely monitor BPA levels in environmental and daily life samples. Owing to its strong separation and analytical capabilities, high performance liquid chromatography (HPLC) enables accurate analysis of compounds in complex real-world samples. Among various HPLC stationary phases, dendritic stationary phase materials have attracted significant attention due to their unique branched spatial structure. Therefore, it is of great research importance to continuously investigate dendritic HPLC stationary phases, expand their variety, and broaden their applications.</div></div><div><h3>Results</h3><div>The novel dendrimer based stationary phase named as Sil-G1-BDDE-TTCA was synthesized by modifying 1,4-butanediol diglycidyl ether and trithiocyanuric acid onto silica surfaces via thiol-epoxy click reaction. Through three repeated grafting, the third-generation stationary phase named as Sil-G3-BDDE-TTCA was prepared. The C18 modified dendrimer based stationary phase named as Sil-G3-BDDE-TTCA-C18 was finally prepared using 1-octadecene as a capping functional monomer. These dendritic stationary phases were characterized by Elemental analysis, Thermogravimetric analysis, Scanning electron microscope and X-ray photoelectron spectroscopy. To evaluate the hydrophobic, hydrophilic, and <em>π-π</em> interactions of the prepared dendritic stationary phases, test mixtures including alkylbenzenes, positional isomers, polycyclic aromatic hydrocarbons, nucleosides, and flavonoids were analyzed. The Tanaka test was employed to compare the chromatographic performance of different stationary phases. Thermodynamic parameters for the retention of alkylbenzenes and positional isomers on these stationary phases were calculated to investigate the effect of temperature on chromatographic behavior. The reproducibility of these prepared dendritic columns was investigated, yielding satisfactory results.</div></div><div><h3>Significance</h3><div>For the first time, a dendritic mixed-mode stationary phase was fabricated via thiol-epoxy click reaction for detecting bisphenols in actual samples. This strategy overcomes the time-consuming and inefficient synthesis of traditional dendritic phases, offering a novel route for dendritic materials and extending their environmental applications.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1394 ","pages":"Article 345216"},"PeriodicalIF":6.0,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135316","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":"Drone-based needle trap device array coupled with portable mass spectrometry for onsite analysis of hazardous air pollutants","authors":"Jianfeng Zhang ,&nbsp;Yi Li ,&nbsp;Borui Ji ,&nbsp;Haoran Liu ,&nbsp;Lei Li ,&nbsp;Wei Gao ,&nbsp;Zhen Zhou ,&nbsp;Bin Hu","doi":"10.1016/j.aca.2026.345218","DOIUrl":"10.1016/j.aca.2026.345218","url":null,"abstract":"<div><h3>Background</h3><div>Onsite detection of hazardous air pollutants is crucial for environmental monitoring, as such pollutants can be rapidly released and diffused from emission sources into the surrounding and upper air, often occurring in locations that are difficult or unsafe for human access. Traditional field sampling approaches pose challenges in providing timely molecular identification and spatial characterization of pollutants under such dynamic and hard-to-reach conditions. Therefore, the development of rapid, sensitive, and field-deployable analytical strategies for air pollutant monitoring is highly needed.</div></div><div><h3>Results</h3><div>We developed a drone-based needle trap device (NTD) array for air sampling at different environmental conditions. The NTD array enabled simultaneous sampling at multiple heights during a single flight, and samples collected by the NTD were subsequently analyzed using portable gas chromatography-mass spectrometry (GC-MS), allowing rapid identification and quantification of air pollutants within minutes. Acceptable analytical performance was achieved, including low detection limits (at ppbv level), excellent linearity (R² &gt; 0.99), good reproducibility (RSD &lt;20%, n = 6), and fast analysis speed (within minutes). Onsite environmental analysis was successfully demonstrated for air samples from biogenic, anthropogenic, and special environments involving hazardous volatile releases. In particular, the vertical diffusion behavior of VOCs was also investigated, showing the spatial distribution of air pollutants in the air.</div></div><div><h3>Significance</h3><div>The integration of a drone-based NTD array with portable GC-MS enables onsite detection and simultaneous multi-height sampling during a single flight, allowing high-resolution mapping of vertical concentration gradients of hazardous air pollutants. This approach provides an effective and cost-efficient method for characterizing pollutant distributions in complex or hard-to-access environments and offers new possibilities for field atmospheric monitoring.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1394 ","pages":"Article 345218"},"PeriodicalIF":6.0,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146663","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":"Development and validation of a method for determinion of organophosphorus flame retardant di-ester and hydroxylated metabolites in human urine","authors":"Xiaohong Yu ,&nbsp;Tian Qiu ,&nbsp;Jingyu Wang ,&nbsp;Qingqing Luo ,&nbsp;Tong Shen ,&nbsp;Yifu Lu ,&nbsp;Xiaoming Shi","doi":"10.1016/j.aca.2026.345224","DOIUrl":"10.1016/j.aca.2026.345224","url":null,"abstract":"<div><h3>Background</h3><div>As biomarkers for assessing human exposure to organophosphate flame retardants (OPFRs), the accurate measurement of urinary metabolites of OPFRs (mOPFRs) is critical for evaluating their health impacts.</div></div><div><h3>Results</h3><div>We established a high-throughput liquid chromatography–tandem mass spectrometry (LC-MS/MS) technique for the concurrent quantification of 14 mOPFRs in human urine, including diesters and hydroxylated metabolites. Urine samples were processed via solid-phase extraction, eluted with 2% ammoniated methanol solution, concentrated by nitrogen stream, and finally reconstituted in the original mobile phase before analysis using LC-MS/MS, executed in electrospray ionization and multiple reaction monitoring modes. High-sensitivity mass spectrometry signal acquisition was achieved based on ion fragmentation patterns. Baseline separation of isomeric compounds was accomplished by adjusting the mobile phase elution strength. Enhanced extraction efficiency and purification were based on quasi-molecular properties. The methodology exhibited method detection limits ranging from 0.018 to 0.16 μg/L. Spiked recovery rates varied between 72.2% and 109.6%, while relative standard deviations fluctuated from 5.1% to 14.7%, and matrix effects were noted to be within the range of 77.2%–112.3%. The reliability of method was validated through the analysis of certified reference materials and participation in proficiency evaluations conducted in various laboratories. This approach has been effectively utilized for analyzing urinary mOPFRs within framework of Chinese National Human Biomonitoring Program by conducting environmentally sustainable and applicable green assessment.</div></div><div><h3>Significance</h3><div>This method thoroughly optimized essential elements concerning mass spectrometry settings, chromatographic parameters, and sample preparation procedures, providing reliable technical support for assessing population exposure to OPFRs and conducting risk evaluations.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1394 ","pages":"Article 345224"},"PeriodicalIF":6.0,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146153234","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 aptasensor based on GO-SELEX screened aptamers for detecting norfloxacin antibiotic residues in fish and shrimp","authors":"Xue Wang ,&nbsp;Zhaoyang Zhou ,&nbsp;Shuang Jiang ,&nbsp;Qi Sun ,&nbsp;Xianlu Lei ,&nbsp;Yong Xie ,&nbsp;Tao Le","doi":"10.1016/j.aca.2026.345208","DOIUrl":"10.1016/j.aca.2026.345208","url":null,"abstract":"<div><div>Norfloxacin (NOR) has been widely applied in animal husbandry and aquaculture because of its potent antibacterial activity, broad-spectrum efficacy and cost-efficient. Nevertheless, its inappropriate use may result in teratogenic and carcinogenic risks to humans, making the accurate and rapid detection of NOR residues in food critically important. In this study, a strong affinity (Kd = 84 nM) and high selectivity anti-NOR aptamer was obtained by screening with Graphene Oxide Systematic Evolution of Ligands by Exponential Enrichment (GO-SELEX), and a colorimetric aptasensor was fabricated. The limit of detection of the aptasensor was 1.04 ng/mL, and the linear range was 1.56-100 ng/mL. Average recoveries of the aptasensor in shrimp and fish sample analyses ranged from 89.33% to 103.24%, accompanied by coefficients of variation from 3.63% to 9.43%, indicating good analytical precision and accuracy. The aptasensor constructed in this study showed high consistency with the High-Performance Liquid Chromatography (HPLC) for NOR detection, indicating that it is an efficient and promising sustainable strategy for monitoring NOR.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1394 ","pages":"Article 345208"},"PeriodicalIF":6.0,"publicationDate":"2026-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146664","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":"SERS fingerprinting of β2-agonists for anti-doping based on Au–COF substrate","authors":"Siqing Liu ,&nbsp;Liping Chen ,&nbsp;Xingju Li ,&nbsp;Ruxi Lin ,&nbsp;Yunxin Zhang ,&nbsp;Xiaojun Luo","doi":"10.1016/j.aca.2026.345206","DOIUrl":"10.1016/j.aca.2026.345206","url":null,"abstract":"<div><h3>Background</h3><div>β₂−agonists, also known as β₂−adrenoceptor agonists, are secreted by the adrenal medulla of the animal body and have a characteristic catecholamine structure. When inhaled, the drug rapidly relaxes the smooth muscles of the airways in asthma patients, improves ventilation, and temporarily increases alertness during exercise and helps relieve fatigue. However, the use of β₂−agonists to improve physical performance in a short period of time can lead to extreme dependence and irritation, and there are still many unknown hazards. They are now on the World Anti−Doping Organization (WADA) prohibited list.</div></div><div><h3>Results</h3><div>Surface−enhanced Raman spectroscopy (SERS) can directly detect the characteristic peaks associated with β₂−agonist compounds in a fast and sensitive manner. This study is the first to utilize a direct Raman detection technique, achieving successful acquisition of the fingerprint spectra of three target analytes (vilanterol, fenoterol, bambuterol) as well as the establishment of a corresponding fingerprint spectral analysis method. To further improve its performance, in this study, gold nanoparticles were synthesized via redox methods and integrated with covalent organic framework (COF) to construct a novel highly sensitive detection platform for β₂−agonists. The Au–COF composite exhibits high adsorption performance and can significantly enhance the SERS signal of the target, thereby achieving low detection limits, including 9.25 × 10⁻⁶ g ·mL⁻¹ for bambuterol, 9.76 × 10⁻⁶ g mL⁻¹ for vilanterol, and 7.54 × 10⁻⁶ g·mL⁻¹ for fenoterol, which makes it promising for improving the overall sensitivity of β₂−agonist detection.</div></div><div><h3>Significance</h3><div>This study develops a novel analytical method utilizing Au–COF composites for highly sensitive SERS detection. It pioneers the application of this strategy in the qualitative and quantitative analysis of trace β₂−agonists. The research not only significantly expands the scope of Au–COF composites but also provides a technologically promising approach with substantial practical value for ensuring medical safety through clinical medication monitoring and for detecting banned substances in sports.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1393 ","pages":"Article 345206"},"PeriodicalIF":6.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146129704","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 multi-functional effervescent tablet for one-pot effervescent/derivatization/extraction: An integrated strategy for sulfonamide residue analysis","authors":"Di Chen ,&nbsp;Yixin Ma ,&nbsp;Xirui Pei ,&nbsp;Wenxuan Li ,&nbsp;Chenqi Niu ,&nbsp;Haobo Zheng","doi":"10.1016/j.aca.2026.345186","DOIUrl":"10.1016/j.aca.2026.345186","url":null,"abstract":"<div><h3>Background</h3><div>Sulfonamides are extensively used antimicrobials, but residues in food raise health risks such as allergies, antimicrobial resistance, and carcinogenicity. Strict residue limits require sensitive and efficient monitoring methods. While LC-FLD is selective and practical, conventional workflows rely on multi-step extraction and derivatization, which are time-consuming. A streamlined strategy integrating extraction and derivatization into a single operation is needed for practical residue analysis in complex food matrices.</div></div><div><h3>Results</h3><div>A novel multi-functional effervescent tablet was developed to unify effervescence, derivatization, and extraction in one step. The tablet incorporates effervescent precursors (Na₂CO₃/NaH₂PO₄), fluorescamine (a derivatization reagent), Fe₃O₄ nanoparticles, and hydroxylated multi-walled carbon nanotubes (an adsorbent). Upon immersion, CO₂ bubbles promote rapid dispersion of reagents and in-situ assembly of a magnetic composite adsorbent, enabling simultaneous derivatization and efficient extraction of sulfonamides. The core tablet-mediated procedure requires only 4 min, with desorption achieved in 0.5 min using acetone. Validation demonstrated excellent linearity (R² &gt; 0.998), low detection limits (0.130–0.285 ng/g), and recoveries of 82.6–107.0% with RSDs &lt;10%. Application to spiked honey confirmed accuracy, with relative errors ranging from −8.9% to +9.2%. Comparative studies showed performance equivalent to conventional multi-step protocols, while reducing handling steps and solvent use during the extraction phase.</div></div><div><h3>Significance</h3><div>This integrated effervescence/derivatization/extraction strategy streamlines sulfonamide residue analysis into a rapid, cost-effective, and easily automatable workflow. While sample pretreatment is still required for complex matrices, the tablet-based step significantly reduces manual handling and solvent consumption during the extraction and derivatization process. Its compatibility with LC-FLD provides a practical and cost-effective alternative to LC-MS, supporting reliable food safety surveillance within regulatory standards.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1393 ","pages":"Article 345186"},"PeriodicalIF":6.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146111014","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":"Understanding sub-cellular mechanochemical correlations of the neonatal extrahepatic bile duct extracellular matrix by atomic force microscope-Infrared spectroscopy","authors":"Huiyong Li ,&nbsp;Kapish Gupta ,&nbsp;Zhenqin Wang ,&nbsp;Jessica Llewellyn ,&nbsp;Hanxun Jin ,&nbsp;Samuel Tenney ,&nbsp;Rebecca G. Wells ,&nbsp;Marcus Foston","doi":"10.1016/j.aca.2026.345175","DOIUrl":"10.1016/j.aca.2026.345175","url":null,"abstract":"<div><h3>Background</h3><div>The neonatal extrahepatic bile duct (EHBD) is highly susceptible to injury and fibrotic remodeling, yet the sub-cellular mechanochemical basis of this vulnerability remains poorly understood. Atomic force microscopy coupled with infrared spectroscopy (AFM-IR) enables simultaneous mapping of stiffness and molecular composition at sub-micron resolution, providing new insight into extracellular matrix (ECM) heterogeneity. Here, we investigate how spatial variation in ECM structure and mechanics differs between neonatal and adult rat EHBDs to determine the mechanochemical features that may underlie neonatal susceptibility to injury.</div></div><div><h3>Results</h3><div>AFM-IR spectral and nanomechanical mapping revealed that neonatal ECM is compositionally and mechanically heterogeneous, characterized by spatial gradients in stiffness and molecular composition across the duct wall. Spectral analysis revealed pronounced regional heterogeneity in neonatal ECM: lumican and hyaluronic acid (HA) were enriched in the outer submucosa near the duct wall, whereas non-fibromodulin (FMOD) matrix proteins predominated in the inner submucosa adjacent to the lumen. In contrast, adult EHBDs exhibited a more uniform and collagen-rich ECM with higher and more consistent stiffness. Principal component analysis (PCA) of AFM-IR spectra distinguished neonatal and adult ducts based on amide, carbonyl, and side-chain IR features, suggesting differences in ECM composition and organization. Nanomechanical mapping showed that neonatal ECM was significantly softer and more heterogeneous, with the lowest apparent Young's modulus near the duct edge. Random forest regression linked local stiffness to distinct chemical signatures, amide III features in neonatal inner submucosa and amide I, II, and carbonyl vibrations in the outer wall.</div></div><div><h3>Significance</h3><div>Neonatal EHBDs possess immature and spatially heterogeneous ECM organization that compromises mechanical integrity and may predispose the duct to cholangiopathies such as biliary atresia. This work establishes AFM-IR as a powerful mechanochemical tool for linking ECM composition to tissue vulnerability and remodeling in developing soft tissues.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1393 ","pages":"Article 345175"},"PeriodicalIF":6.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095758","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":"Unlocking the complexity of macromolecular protein heterogeneity of glycoprotein IgE via an optimized online digestion middle-down proteomics approach","authors":"Ruijie Liu ,&nbsp;Zixin Liang ,&nbsp;Shujun Xia ,&nbsp;Yuxiang Luo ,&nbsp;Huilin Li","doi":"10.1016/j.aca.2026.345161","DOIUrl":"10.1016/j.aca.2026.345161","url":null,"abstract":"<div><h3>Background</h3><div>Proteoform-level analysis of large, highly modified proteins (≥50 kDa) such as immunoglobulin E (IgE) remains challenging due to their size and molecular heterogeneity. While traditional bottom-up proteomics fails to retain proteoform-level information, top-down approaches often lack the resolution required for effective proteoform discrimination. Middle-down proteomics (MDP) overcomes these limitations by generating highly redundant peptides in the 3–15 kDa range, which retain critical combinatorial modification patterns, thereby enabling more comprehensive characterization of complex proteoforms.</div></div><div><h3>Results</h3><div>To advance heterogeneity analysis of large proteins, we developed an online, tunable pepsin digestion platform that facilitates rapid and in-depth middle-down analysis of large proteins. When applied to IgE—a key allergy-related antibody with a large molecular weight (170–190 kDa) and bearing seven potential N-glycosylation sites—this platform produces high-redundancy peptides, enabling <em>de novo</em> sequencing of the variable region, which is critical for antigen recognition. Furthermore, analysis of middle-sized peptides allowed us to detect combined glycosylation patterns on the constant region 3 of the epsilon heavy chain (Cε3), revealing 39 Cε3 domain proteoforms. These proteoforms are important for Fcε receptor I interaction, therapeutic antibody binding, and downstream signaling. The platform also provided comprehensive glycosylation insights, including composition, occupancy, and microheterogeneity, thereby supporting detailed annotation of intact IgE proteoforms with varying glycan numbers.</div></div><div><h3>Significance</h3><div>By integrating sequence and glycosylation information, our approach offers a holistic perspective of IgE heterogeneity, which is essential for elucidating their roles in allergic diseases and for guiding diagnostic and therapeutic development. This study demonstrates that MDP analysis is highly valuable for large, diverse proteins like IgE. Our workflows enhance methodological versatility by minimizing dependence on specific proteases for particular proteins, thereby broadening the potential applications of MDP.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1393 ","pages":"Article 345161"},"PeriodicalIF":6.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089768","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":"Label-free electrochemical levodopa detection via dummy imprinted polymers for advanced disease monitoring","authors":"O. Jamieson ,&nbsp;A. Dann ,&nbsp;X. Liu ,&nbsp;T. Oliveira Abib ,&nbsp;K. Novakovic ,&nbsp;J. McClements ,&nbsp;S. Seyedin ,&nbsp;J. Gruber ,&nbsp;R.D. Crapnell ,&nbsp;H. Snyder ,&nbsp;C.E. Banks ,&nbsp;J.A. Dawson ,&nbsp;M. Peeters","doi":"10.1016/j.aca.2026.345174","DOIUrl":"10.1016/j.aca.2026.345174","url":null,"abstract":"<div><div>Current estimates see 25.2 million people living with from Parkinson's disease (PD) worldwide by 2050, with no cure close to being available. With therapeutic LDp (LDp) use being the mainstay treatment for a vast proportion of individuals with PD, an effective protocol for managing medication in <em>real-time</em>, is not only essential but long overdue. Presented hereafter is a highly reproducible polymeric electrochemical detection platform with an economically viable production process that can specifically and selectively detect LDp at the relevant physiological range. Computational modelling of target-monomer interactions is employed to direct monomer selection and polymer synthesis. Testing the sensor platform within a dynamic range (5–50 μM) of LDp and its metabolite Dp (Dp) in a range of different sample media affords a 42% higher response of current change upon binding to LDp compared to Dp despite high structural similarity between the compounds. Furthermore, the sensor shows no significant difference when tested in different sample media, allowing this electrochemical sensor to operate across a range of different sample sources, further enhancing its adaptability and applicability in an ever-changing landscape of medical technology.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1393 ","pages":"Article 345174"},"PeriodicalIF":6.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146089622","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":"Classification of DNA secondary structures by combining multiple spectral techniques with machine learning","authors":"Hong Luo ,&nbsp;Guantong Xu ,&nbsp;Yujing Zhang ,&nbsp;Xiaoxuan Xiang ,&nbsp;Hao Wang ,&nbsp;Xinhua Guo","doi":"10.1016/j.aca.2026.345195","DOIUrl":"10.1016/j.aca.2026.345195","url":null,"abstract":"<div><h3>Background</h3><div>The identification of structural features is an essential prerequisite for the determination of DNA secondary structures and investigating structural formation mechanisms. Circular dichroism (CD) spectroscopy, fluorescence (FL) spectroscopy, and thermal difference spectra (TDS) have already been used to monitor the DNA secondary structures due to their advantages in operational simplicity, detection speed and lower cost. However, each individual spectroscopic method has limitations in providing comprehensive structural information. Therefore, we propose that integrating these three spectroscopic techniques could improve the classification accuracy of DNA secondary structures—though, to date, no related studies have been reported.</div></div><div><h3>Results</h3><div>In this assay, a combination method of CD, FL, and TDS was proposed through machine learning (ML). Principal component analysis (PCA) was firstly used to reduce the dimensionality and facilitate data analysis, and then, three machine learning methods, including linear discriminant analysis (LDA), K-nearest neighbor (KNN), and support vector machine (SVM), were employed to deeply excavate more structure-related information of CD, FL, and TDS spectra. Combined with a two-step ML strategy, 79 out of 85 DNA sequences, that fall into G4, iM and DS category respectively, were correctly classified (classification accuracy of 0.95). Thus, we achieved the goal of predicting unknown DNA secondary structures by combining CD, FL, and TDS spectra, and demonstrated the superiority of the combination of three spectra in DNA structure identification.</div></div><div><h3>Significance</h3><div>The method is significantly superior to the single spectroscopic technique. Thus, a simple, fast, and cost-efficient spectroscopic platform for the direct and comprehensive identification of DNA secondary structures has been established. By building a multispectral database and using ML methods, the accurate and comprehensive identification of unknown DNA secondary structures will finally be realized.</div></div>","PeriodicalId":240,"journal":{"name":"Analytica Chimica Acta","volume":"1393 ","pages":"Article 345195"},"PeriodicalIF":6.0,"publicationDate":"2026-04-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146129535","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}