Journal of Chromatography A最新文献

{"title":"Odor substances and correlated chemical risks in children's tents: A GC-Orbitrap HRMS-based non-targeted analysis","authors":"Yinhui Yang ,&nbsp;Huilin Han ,&nbsp;Jiaqi Liu ,&nbsp;Shuang Liang ,&nbsp;Yingchun Gu ,&nbsp;Qing Lv","doi":"10.1016/j.chroma.2025.466248","DOIUrl":"10.1016/j.chroma.2025.466248","url":null,"abstract":"<div><div>Children's tents provide small enclosed spaces that are in close contact with children, making it essential to identify odorants and potential chemical risks in these products. In this study, non-targeted screening was conducted using dual-mode gas chromatography–Orbitrap high-resolution mass spectrometry (GC-Orbitrap HRMS) with electron ionization (EI) and positive chemical ionization (PCI), leading to the identification of 94 volatile substances in 31 children's tents. Among these, 42 substances were associated with odor descriptions, and 30 had documented odor thresholds. Analysis of odorant distribution and contribution revealed that toluene, xylene, styrene, 2-methylnaphthalene, naphthalene, butyl acrylate, (2E)-2-nonenal, and 2-pentylfuran were the dominant odorants. A risk scoring scheme was adopted to quantitatively rank substances based on detection rate, average peak area, and hazardousness, enabling rapid identification of 16 high-risk substances. Spearman correlation analysis indicated that certain high-risk substances exhibited highly significant correlations, co-occurred in the samples, and consistent concentration trends, likely due to shared raw materials or manufacturing processes. This study offers critical insights for odor source tracing and the precise control of chemical risks in children's tents and related products.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466248"},"PeriodicalIF":4.0,"publicationDate":"2025-07-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144757892","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":"Determination of volatile fluorotelomer alcohols in water by stir bar sorptive extraction–liquid desorption and gas chromatography–chemical ionization tandem mass spectrometry","authors":"Peter Tölgyessy,&nbsp;Milan Laurenčík,&nbsp;Tamara Vranová,&nbsp;Michal Kirchner","doi":"10.1016/j.chroma.2025.466246","DOIUrl":"10.1016/j.chroma.2025.466246","url":null,"abstract":"<div><div>We developed a simple, environmentally friendly method for determining seven fluorotelomer alcohols (FTOHs) in water, including EU Water Framework Directive priority substances 6:2 and 8:2 FTOH. The method combines stir bar sorptive extraction with liquid desorption (SBSE–LD) and gas chromatography–tandem mass spectrometry using positive chemical ionization (GC–PCI-MS/MS) analysis, while addressing FTOH volatility issues during sample preparation. Detection and quantification limits ranged from 0.068 to 0.60 ng L^–1 and 0.23–2.0 ng L^–1, respectively, with a linear range of 0.5–80 ng L^–1. Intra-day precision (RSDs) was 2.3–12 %, and trueness was generally 81–114 %, except for 12:2 FTOH (58–124 %). Strong matrix effects (up to 78 %) were observed for some FTOHs, requiring matrix-matched calibration. The method showed good environmental compatibility, receiving an AGREEprep score of 0.63, which reflects the absence of hazardous chemicals, the use of reusable materials, zero waste generation, and enhanced operator safety. Its practical applicability, as evaluated using the Blue Applicability Grade Index (BAGI), yielded a score of 60.0. The method was successfully applied to river, groundwater, and tap water samples, confirming its suitability for routine environmental monitoring of volatile FTOHs.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466246"},"PeriodicalIF":3.8,"publicationDate":"2025-07-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144713686","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":"Machine learning enhanced process design in protein a chromatography","authors":"Andrea Galeazzi ,&nbsp;Steven Sachio ,&nbsp;Elizabeth Edwards ,&nbsp;David Hilton ,&nbsp;Maria M. Papathanasiou","doi":"10.1016/j.chroma.2025.466193","DOIUrl":"10.1016/j.chroma.2025.466193","url":null,"abstract":"<div><div>Quality by Digital Design (QbDD) employs in-silico experimentation to reduce wet-lab reliance and accelerate development. Design space identification is critical for QbDD to overcome bottlenecks and streamline process design. Traditional design space identification methods require costly, high-fidelity models. This work introduces a machine learning-enhanced design space identification approach that utilises wet-lab data. A transfer learning framework is developed under limited data availability by leveraging synthetic datasets created using off-the-shelf mechanistic models. An artificial neural network is constructed and used to classify feasible design regions under high, moderate, and low data availability (HDA, MDA, LDA). Results show strong performance in HDA for the data-driven method, with transfer learning improving accuracy in MDA and being essential in LDA. This approach demonstrates machine learning’s potential to enable cost- and time-efficient process design in early-stage biopharmaceutical development.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466193"},"PeriodicalIF":3.8,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144679762","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":"Enhanced by ionic liquids: Magnetic molecularly imprinted polymers-magnetic solid-phase extraction-UHPLC-UV for sensitive detection of benzimidazoles in multiple food matrices","authors":"Tianyi Xue ,&nbsp;Yue Yuan ,&nbsp;Yiyang Yuan ,&nbsp;Zhexue Song ,&nbsp;Zhili Xiong ,&nbsp;Honggang Wang","doi":"10.1016/j.chroma.2025.466237","DOIUrl":"10.1016/j.chroma.2025.466237","url":null,"abstract":"<div><div>Benzimidazoles (BZDs) as fungicides and veterinary drugs may remain in various food matrices, posing potential risks to human health. It is challenging to detect trace BZDs under complex matrix interferences. In this study, ion liquid magnetic molecularly imprinted polymers (IL-MMIPs) for the selective extraction of six BZDs from complex matrices were synthesized via surface imprinting technology with vinyl-functionalized Fe₃O₄@SiO₂ as magnetic carriers. Importantly, the synthesized 1-vinyl-3-amidomethylimidazolium chloride ([VAFMIM]Cl-IL) was used as the functional monomer, which could form π-π, hydrogen bonds, electrostatic interactions, ion exchange, and hydrophobic interactions with BZDs. A series of adsorption test results demonstrated that IL-MMIPs exhibited superior selectivity, with high imprinting factors (3.77–4.41) and excellent adsorption capacities (18.26 mg/g). Furthermore, coupling with ultra-high performance liquid chromatography (UHPLC) analysis, an effective, sensitive and selective analysis method based on IL-MMIPs-MSPE-UHPLC integrated technology was established and validated for the quantification of 6 BZDs from multiple food matrices. The results showed remarkable sensitivity with limits of quantification 1.5–10.0 μg/kg and expected recoveries (85.1 %-103.6 %). The method satisfied the detection standards of China and the European Union (EU) and had been applied to food matrices including pork, milk, eggs, drinking water, grapes, cucumbers samples. Finally, trace amounts of thiabendazole were detected only in grapes (533 μg/kg) and eggs (79 μg/kg), demonstrating practical significance for detecting trace BZDs in complex matrices.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466237"},"PeriodicalIF":3.8,"publicationDate":"2025-07-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144695390","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":"Methodological approach for a simultaneous determination of persistent and non-persistent organic pollutants in human blood (serum/plasma) using gas chromatography and mass spectrometry techniques","authors":"Carolina M. Bustamante ,&nbsp;Paula Ruiz ,&nbsp;Atiya B. Rifat ,&nbsp;Natalia Bravo ,&nbsp;Joan O. Grimalt ,&nbsp;Mercè Garí","doi":"10.1016/j.chroma.2025.466235","DOIUrl":"10.1016/j.chroma.2025.466235","url":null,"abstract":"<div><div>Human biomonitoring of persistent organic pollutants (POPs) remains essential for tracking long-term exposure, evaluating health risks, and assessing the effectiveness of regulatory bans. For this purpose, an experimental and analytical methodology has been optimized allowing the determination of 47 POPs, encompassing chlorinated cyclodienes, chlorobenzenes, cyclohexanes, polychlorodiphenyl derivatives, several congeners of polychlorobiphenyls (PCBs) and polybromodiphenyl ethers (PBDEs, including the deca-BDE), as well as three non-persistent chemicals (namely quintozene, tecnazene and vinclozolin). The method uses a single liquid-liquid extraction procedure with 500 µL of serum/plasma. Instrumental analysis involves gas chromatography (GC) with electron capture detection (ECD) for the analysis of organochlorines, and a subsequent injection into a GC coupled to mass spectrometry in negative chemical ionization mode (MS-NCI) for the determination of PBDEs. The analytical procedure has been successfully validated, demonstrating high sensitivity (limits of detection: 0.0016–0.012 ng/mL; limits of quantification: 0.0029–0.021 ng/mL), acceptable linearity (R² &gt; 0.9962), good precision (coefficients of variation &lt;25%, except for BDE-209), satisfactory accuracy (recoveries within 70–130% for 41 out of 47 compounds) and minimal matrix effects. Proficiency Testing Materials from the AMAP Ring Test for POPs in human serum confirmed the method’s reliability with results within the accepted reference range. This method represents an efficient and practical approach for human biomonitoring studies, with a simplified workflow suitable for routine application.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466235"},"PeriodicalIF":4.0,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724199","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":"Simultaneous chiral analysis of four DL-thiol compounds in human saliva by Ultra-high-performance liquid chromatography high-resolution mass spectrometry: Differential evaluation of oxidative stress between smokers and non-smokers","authors":"Yuxuan Li ,&nbsp;Yuanjie Shan ,&nbsp;Chenglong Yu ,&nbsp;Xi-Ling Li,&nbsp;Jun Zhe Min","doi":"10.1016/j.chroma.2025.466228","DOIUrl":"10.1016/j.chroma.2025.466228","url":null,"abstract":"<div><div>Smoking is detrimental to health. However, the potential of dynamic changes in chiral thiol compounds in human saliva, both before and after smoking, as indicators of oxidative stress in vivo remains unexplored. A novel ultra-high-performance liquid chromatography high-resolution mass spectrometry (UHPLC<img>HRMS) method was developed for the simultaneous separation of four DL-thiol compounds in human saliva, utilizing a new (<em>R</em>)-(5-(3-isothiocyanatopyrrolidin-1-yl)-5-oxopentyl (NCS-OTPP) pre-column derivatization approach. Chromatographic separation was carried out using a YMC Triart C18 column (2.0 × 150 mm, 1.9 µm), with isocratic elution of 0.1 % formic acid aqueous solution and 0.1 % formic acid methanol-acetonitrile (7:3, <em>v/v</em>) at a ratio of 65:35. Separation of DL-glutathione (GSH), DL-cysteine (Cys), DL-homocysteine (Hcy), and γ-glutamylcysteine (γ-Glu-Cys) achieved resolution degrees of 1.60–1.89, with complete separation. Linear calibration was observed (R² ≥ 0.9992) within a range of 0.5–20 µM, with detection limits spanning 2.50–14.40 fmol. The intraday and interday precisions ranged from 0.33 % to 9.64 %, while average spiked recoveries were 92.15–106.22 %. This method was successfully applied to assess the four DL-thiol compounds in the saliva of 10 smokers and 10 non-smokers at different time points. Results revealed significantly higher concentrations of the DL-thiol compounds in the saliva of smokers compared to non-smokers, with significant differences for l-GSH, DL-Cys, and l-Hcy (<em>p</em> &lt; 0.05), returning to baseline levels within 15 min. Dynamic monitoring curves before and after smoking exhibited consistent trends with the fitted curves. This study introduces a new method for monitoring dynamic changes in DL-thiol compounds in saliva and offers insight into potential subhealth indicators linked to abnormal chiral thiol metabolism in vivo.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466228"},"PeriodicalIF":3.8,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144687321","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":"Optimized fast gas chromatography coupled with proton-transfer-reaction time-of-flight mass spectrometry for the selective near real-time analysis of herbivore-induced plant volatiles","authors":"Jennifer Braun ,&nbsp;Carsten Engelhard ,&nbsp;Peter Kaul","doi":"10.1016/j.chroma.2025.466236","DOIUrl":"10.1016/j.chroma.2025.466236","url":null,"abstract":"<div><div>The analysis of herbivore-induced plant volatiles (HIPVs) is essential for understanding plant-environment interactions and defense strategies against herbivores. Proton transfer reaction time-of-flight mass spectrometry (PTR–TOF–MS) is a powerful analytical tool that enables real-time monitoring and quantification of diverse groups of HIPVs. However, the PTR–TOF–MS technique is constrained in its ability to effectively differentiate between isomers. When analyzing complex mixtures of HIPVs, the separation of isomers becomes crucial as major compound classes such as terpenes comprise thousands of isomers. In this study, we present an optimized fast gas chromatography (fastGC) based on a modified version of the commercially available fastGC add-on integrated into a mobile PTR–TOF. The system was optimized for the analysis of emissions from enclosed trunks of <em>Acer platanoides</em> infested by <em>Anoplophora glabripennis</em> (Motschulsky), commonly known as Asian longhorned beetle (ALB). The development of fastGC was primarily focused on the sesquiterpenes α-longipinene, cyclosativene and α-copaene, which serve as strong indicators of ALB infestation. These sesquiterpenes were separated in less than three minutes, with intra-day retention time RSD &lt; 0.6 % and resolutions of 2.6 ± 0.3 and 1.3 ± 0.2. In comparison to the original system, the optimized fastGC demonstrates more than tripled sesquiterpene resolution, twice the sensitivity relative to direct inlet mode, and an approximately 10 % reduction in total analysis time. The optimized fastGC–PTR–TOF allows for near real-time analysis of complex mixtures of biogenic VOCs, making it a powerful tool for environmental monitoring, integrated pest management, and forest protection.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466236"},"PeriodicalIF":4.0,"publicationDate":"2025-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144721488","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":"Preparation of shrimp shell derived magnetic biochar coupled with UHPLC-MS/MS for determination of 12 tetracyclines in aquatic products","authors":"Peipei Li ,&nbsp;Junlu Bai ,&nbsp;Qinghong Zhang ,&nbsp;Pengfei He ,&nbsp;Junjie Zeng ,&nbsp;Xiaojun Zhang","doi":"10.1016/j.chroma.2025.466225","DOIUrl":"10.1016/j.chroma.2025.466225","url":null,"abstract":"<div><div>Shrimp shell, a waste product from seafood processing, has a great potential to be reused. In this study, a magnetic biochar derived from shrimp shell(MBC-600) was prepared and applied in magnetic solid phase extraction (MSPE) for pretreatment of 12 tetracyclines (TCs) in aquatic products. The characterization and adsorption experiments show that MBC-600 showed good adsorption capacity for 12 TCs due to its high specific surface area (71.30 m²/g) and large adsorption capacity(92.08∼141.44 mg/g). The adsorption mechanism of MBC-600 on TCs mainly included π-π interactions, surface complexation, hydrogen bonding, hydrophobic interaction and electrostatic interactions. Under optimized conditions, the MSPE based on MBC-600 coupled with ultra-performance liquid chromatography tandem mass spectrometry(UHPLC-MS/MS) was established for high sensitively determination of TCs from aquatic products. The proposed method showed good linearities (0.5∼200 ng/mL) with R²≥0.995, the limits of detection (LODs) and limit of quantification (LOQs) were 0.15∼0.49 μg/kg and 0.50–1.63 μg/kg, respectively. The acceptable recoveries were between 86.6 % and 98.9 % with intra-day and inter-day relative standard deviations ranging from 1.62 % to 3.80 % and 2.41 % to 11.6 %, respectively. The developed green recyclable magnetic biochar material exhibits a facile preparation process with minimal reagent consumption, adhering to green chemistry principles. This dual-function strategy enables sustainable valorization of seafood processing by-products while expanding biochar's applicability in advanced sample pretreatment and ultrasensitive trace analysis systems.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466225"},"PeriodicalIF":3.8,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144703758","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 reliable UHPLC-MS/MS method for the determination of legacy and emerging bisphenol analogues in human urine","authors":"Xiao Lin ,&nbsp;Dejun Bao ,&nbsp;Qi Sun ,&nbsp;Xu Zhang,&nbsp;Zhuangzhuang Feng,&nbsp;Ying Zhu","doi":"10.1016/j.chroma.2025.466234","DOIUrl":"10.1016/j.chroma.2025.466234","url":null,"abstract":"<div><div>An efficient technique for quantitative analysis of BPA, BPF, BPS, and 11 emerging bisphenol analogues in human urine has been developed, which combined solid phase extraction (SPE) with ultra-high performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS). Stable isotope internal standards were added to 1.0 mL of urine, which was hydrolyzed by <em>β</em>-glucuronidase overnight, and the target analytes were enriched and purified using an HLB 96-well plate, concentrated to dryness by nitrogen blowdown and reconstituted in 0.5 mL of 20 % aqueous methanol solution. Separation of the 14 analytes was achieved using Acquity BEH C₁₈ (100 mm × 2.1 mm, 1.7 μm) as the analytical column and gradient elution with water and methanol as the mobile phase. Qualitative and quantitative analyses were performed in multiple reaction monitoring (MRM) mode with parallel positive and negative ion detection. Fourteen analytes showed good linearity in the concentration range of 0.1-50 ng/mL with correlation coefficients (<em>r</em>) greater than 0.999. The method detection limits (MDLs) range from 0.01 to 0.07 ng/mL and the method quantification limits (MQLs) were between 0.02 and 0.23 ng/mL. Recoveries across three spike levels were within the range of 72 % to 127 %. Intra-day precision and inter-day precision were below 12.7 % and 15.1 %, respectively. The proposed method successfully determined bisphenol analogues in 187 urine samples from young people in Beijing, revealing high prevalence rates for BPA (98.9 %) and BPS (80.2 %), with median concentrations of 6.44 μg/L and 0.17 μg/L, respectively. No significant differences in BPA and BPS levels were observed between genders, suggesting similar exposure patterns in males and females. Notably, the detection rate of the new alternative DBSP reached 32.6 %, indicating its significant exposure in the population. This study highlights the ongoing public health concerns regarding exposure to bisphenol analogues, encompassing both traditional compounds (such as BPA and BPS) and emerging alternatives.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466234"},"PeriodicalIF":4.0,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144750653","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":"Chemometrics-driven LC–MS analysis reveals key metabolites and chemical diversity in Abrus cantoniensis Hance stems and leaves","authors":"Yan-bo Xu ,&nbsp;Xiao-kang Liu ,&nbsp;Jia-wei Wang ,&nbsp;Ti-yu Xia ,&nbsp;Hui-ling Jiang ,&nbsp;Lin Feng ,&nbsp;Ya-ling An ,&nbsp;Zhen-wei Li ,&nbsp;Dai-di Zhang ,&nbsp;De-an Guo","doi":"10.1016/j.chroma.2025.466233","DOIUrl":"10.1016/j.chroma.2025.466233","url":null,"abstract":"<div><div><em>Abrus cantoniensis</em> Hance (<em>A. cantoniensis</em>) is a common medicinal and edible plant. Its stems and leaves are widely used in food, pharmaceutical, and daily chemical products. However, the leaves of <em>A. cantoniensis</em> often detach during processing, leading to substantial quality variations. This study aimed to develop an identification method by analyzing the differences in characteristic components between stems and leaves, thereby improving the quality control standards of <em>A. cantoniensis</em>. A total of 130 chemical components of <em>A. cantoniensis</em> were identified using UPLC–Q–TOF–MS/MS, comprising 44 flavonoids, 25 triterpenoids, 15 organic acids, and 46 compounds from other categories. PCA revealed distinct clustering of stems and leaves, indicating considerable compositional divergence. OPLS-DA further identified 34 differential metabolites, with stems predominantly enriched in organic acids (e.g., chlorogenic acid and neochlorogenic acid), whereas leaves exhibited higher levels of C-glycosyl flavonoids, notably vicenin II and schaftoside. Quantitative analysis revealed that the contents of vicenin II and schaftoside in leaves were ∼100- and ∼40-fold higher, respectively, than those in stems. The contents of the three components were as follows: chlorogenic acid (0.027, 0.052, and 0.002 mg/g), vicenin II (0.295, 0.008, and 0.081 mg/g), and schaftoside (0.362, 0.023, and 0.928 mg/g). These findings indicate the substantial chemical heterogeneity between the stems and leaves of <em>A. cantoniensis</em>, with vicenin II and schaftoside serving as key biomarkers for leaves. The results provide a scientific basis for refining the quality control protocols of <em>A. cantoniensis</em>–derived herbal materials by enabling tissue-specific authentication and standardization.</div></div>","PeriodicalId":347,"journal":{"name":"Journal of Chromatography A","volume":"1759 ","pages":"Article 466233"},"PeriodicalIF":4.0,"publicationDate":"2025-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144738757","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}