Analytical science advances最新文献

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148073963","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Wooden-Tip Electrospray Ionization Mass Spectrometry Combined With Machine Learning for Differentiating Thyroid Tumours","authors":"Da-Sheng Liu,&nbsp;Li Liu,&nbsp;Baixue Wang,&nbsp;Jianfeng Zhang,&nbsp;Hong-Guo Lin,&nbsp;Xiang-Xiong Huang,&nbsp;Kang-Jian Deng,&nbsp;Yu-Teng Zhou,&nbsp;Yunlong Pan,&nbsp;Bin Hu,&nbsp;Xue-Yang Huang","doi":"10.1002/ansa.70083","DOIUrl":"10.1002/ansa.70083","url":null,"abstract":"<p>Direct mass spectrometry (MS) analysis of human tissues at the molecular level has great potential for clinical diagnosis and biomarker discovery. However, conventional MS-based analytical methods often require complicated and time-consuming sample preparation, which limits their applicability in rapid clinical analysis. In this study, we developed a rapid analytical strategy by integrating ambient ionization MS with machine learning (ML) for the differentiation of different thyroid tumours. A disposable slim wooden tip (WT) was employed as both a sample holder and an electrospray emitter, enabling direct extraction and ionization of metabolites from tiny thyroid tissue samples under electrospray ionization (ESI) conditions. Using this WT–ESI–MS method, lipid profiles of thyroid tissues could be obtained within minutes without extensive sample preparation. A total of 45 thyroid samples, including 15 healthy tissues, 15 benign tumours and 15 malignant tumours, were analysed. The acquired MS data were further processed using ML-based classification models to distinguish different tumours and identify potential lipid biomarkers. Structural characterization of representative lipids was also performed by MS/MS analysis. The results demonstrated that this WT–ESI–MS combined with ML provides a rapid and effective approach not only for differentiating tumour tissues and healthy samples but also for benign and malignant tumours, highlighting its potential application in clinical diagnosis and intraoperative tissue evaluation.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13069969/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147679398","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148107145","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A Novel Ultra-Performance Liquid Chromatography-Electrospray Ionisation-Tandem Mass Spectrometry Method for Quantification of Imeglimin in Human Plasma: Application to a Bioequivalence Study","authors":"Mina Wadie,&nbsp;Kamal A. Badr,&nbsp;Ahmed A. Hosny,&nbsp;Liliya Logoyda,&nbsp;Omnia M. El Sebai,&nbsp;Mamdouh R. Rezk","doi":"10.1002/ansa.70079","DOIUrl":"10.1002/ansa.70079","url":null,"abstract":"<p>The pharmaceutical market has recently witnessed the advent of a novel tetrahydrotriazene molecule belonging to the new pharmacological class “Glimins”, named Imeglimin (IMG). It has been approved in Japan as a safe and highly effective oral diabetic drug for type II diabetic patients. It enhances the function of β-cells in the human pancreas and increases insulin sensitivity. Hence, this work was directed to provide a fast, sensitive and highly reliable bioanalytical method for its quantification in human plasma. What makes this work greatly distinctive is first: adopting an ultra-performance liquid chromatography (UPLC) with protein precipitation as a fast and straightforward sample preparation protocol with the highest extraction recovery. Secondly, utilisation of the stable isotope-labelled molecule, IMG-d6, rather than a structurally similar analogue, to avoid the interference of any co-administered drugs in human plasma. Samples were extracted with acetonitrile and then chromatographically separated using an Acquity UPLC BEH HILIC column of 1.7 µm particle size along with a mobile phase solution composed of 70:30 (v/v) acetonitrile and 10 mM ammonium formate buffer acidified with 0.1% formic acid. Upon adjusting the flow rate to 0.3 mL/min, IMG was eluted at 1.3 min with a total run time of only 2.0 min. Mass quantification was performed in positive electrospray ionisation operated in multiple reaction monitoring mode. IMG was quantified at <i>m/z</i> of 156.05 → 112.91 transition pairs while IMG-d6, at <i>m/z</i> 162.11 → 119.04. The proposed UPLC-tandem mass spectrometry method was thoroughly validated as per Food and Drug Administration principles over a linearity range of 10.0–3000.0 ng/mL and successfully applied for IMG quantification in human plasma samples. The scope of the work was extended to encompass real analysis of collected human blood samples, calculation of IMG pharmacokinetics parameters and conductance of a bioequivalence study between the IMG generic product versus brand one.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13053006/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147635204","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148131755","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148066932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Beyond Beer-Lambert Linear Regression: Multi-Layer Modeling for Wide-Range Concentration Quantification Using Ultraviolet-visible Spectroscopy","authors":"Muhammed ALjifri,&nbsp;Carter Miller,&nbsp;Yanjun Qian,&nbsp;Ye Chen,&nbsp;Mo Jiang","doi":"10.1002/ansa.70078","DOIUrl":"10.1002/ansa.70078","url":null,"abstract":"<p>Ultraviolet–visible (UV-Vis) spectroscopy is widely used for chemical quantification due to its simplicity and low cost; however, accurate concentration prediction becomes challenging when target concentrations span wide ranges, where the global linearity assumption of the Beer-Lambert law often breaks down. To address this limitation, we propose a multi-layer modeling framework that exploits local linearity rather than relying on a single global model. Two approaches, dynamical-layer regression and classified-layer regression, are both integrated with principal component regression and partial least squares. The framework is evaluated using UV-Vis spectra of nickel sulfate and cobalt sulfate solutions across concentrations ranging from 10⁻⁶ to 0.9 mol L⁻¹, as well as mixed-solution scenarios. The proposed methods consistently outperform conventional single-layer linear models and global nonlinear models, achieving up to a 50% reduction in root mean squared error and <i>R²</i> values exceeding 0.99 for single-solute datasets. These results demonstrate that the proposed framework provides a robust and effective solution for wide-range concentration prediction in spectroscopic analysis.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC13052029/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147635194","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148129296","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"","authors":"","doi":"","DOIUrl":"","url":null,"abstract":"","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148061908","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Gas Chromatography-Mass Spectrometry-Based Phytochemical Profiling and Bioactivity-Guided Fractionation of Psidium guineense Stem Extracts: In Vitro and In Silico Insights Into Antioxidant, Antidiabetic and Antibacterial Potentials","authors":"Md. Jahid Hossain,&nbsp;Mst. Shagorika Shila,&nbsp;Muhammad Rashedul Islam,&nbsp;Jakir Ahmed Chowdhury","doi":"10.1002/ansa.70077","DOIUrl":"https://doi.org/10.1002/ansa.70077","url":null,"abstract":"<p><i>Psidium guineense</i> (Myrtaceae) is traditionally used for various medicinal purposes, although its stem remains underexplored. This study provides the first integrated phytochemical, pharmacological and computational evaluation of the stem extracts to elucidate their antioxidant, antidiabetic and antibacterial potential. The crude methanolic extract was fractionated with petroleum ether, dichloromethane, ethyl acetate and water. Preliminary phytochemical screening confirmed the presence of flavonoids, tannins, saponins, steroids, alkaloids, terpenoids and glycosides. Total phenolic and flavonoid contents were measured spectrophotometrically using the Folin–Ciocalteu reagent and the aluminium chloride colorimetric method, respectively. Antioxidant capacity was measured via 2,2-diphenyl-1-picrylhydrazyl (DPPH) assay, antidiabetic potential via α-amylase and α-glucosidase inhibition, and antibacterial activity via disc diffusion method. Gas Chromatography-Mass Spectrometry (GC-MS) profiling of the methanolic extract led to the identification of 28 phytoconstituents. Among all fractions, the dichloromethane fraction (DPG) exhibited the highest phenolic (247.94 ± 15.38 mg gallic acid equivalents/g) and flavonoid levels (510.27 ± 16.71 mg quercetin equivalents/g), along with superior DPPH radical scavenging capacity. DPG demonstrated scavenging activity (IC₅₀ = 7.45 ± 0.87 µg/mL) comparable to ascorbic acid. In enzyme inhibition assays, DPG showed remarkable α-amylase and α-glucosidase inhibitory effects (IC₅₀ = 22.28 ± 0.97 and 25.00 ± 2.01 µg/mL, respectively)—activities that surpass those reported for leaf extracts of related species. All fractions exhibited moderate, selective antibacterial activity against <i>B. subtilis</i> with zones of inhibition 7–16 mm. GC-MS profiling enabled tentative identification of compounds with reported antioxidant, antidiabetic and antimicrobial activities, supported by in silico docking showing strong predicted binding of selected tentatively identified constituents. These findings provide the first scientific investigation for the traditional use of <i>P. guineense</i> stem and highlight it as a previously unrecognized source of bioactive compounds warranting further isolation and characterization.</p>","PeriodicalId":93411,"journal":{"name":"Analytical science advances","volume":"7 1","pages":""},"PeriodicalIF":4.1,"publicationDate":"2026-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://chemistry-europe.onlinelibrary.wiley.com/doi/epdf/10.1002/ansa.70077","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147666223","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}