Phytochemical Analysis最新文献

{"title":"An Integrated Identification Strategy for Closely Related Plants Mahonia bealei, Mahonia fortunei, and Berberis soulieana Using Microscopic Characterization, HPLC-QTOF-MS/MS, and DNA Barcoding: A Controversial Case on the Taxonomy of Mahonia and Berberis.","authors":"Fang-Tong Liu, Rui-Bo Sun, Xin-Ru Zhang, Zi-Xuan Ding, Tian-Qi Zhang, Hong-Juan Hou, Yi-Fan Wang, Hui Zhang, Si-Yu Li, Wen-Bo Yang, Mu Zhang, Cheng Qian, Yue-Hua Chen, Hui-Peng Song","doi":"10.1002/pca.70066","DOIUrl":"https://doi.org/10.1002/pca.70066","url":null,"abstract":"<p><strong>Introduction: </strong>The taxonomic boundary between Mahonia and Berberis has long been controversial. Mahonia bealei (Fort.) Carr. (MB) and Mahonia fortunei (Lindl.) Fedde (MF) are representative species of Mahonia, while Berberis soulieana Schneid. (BS) represents Berberis. These three plants are often confused in practical medicinal use.</p><p><strong>Objective: </strong>This study aims to elucidate the diagnostic characteristics and taxonomic relationships among MB, MF, and BS. It seeks to provide a potential basis for generic realignment.</p><p><strong>Methodology: </strong>Their structural differences were compared based on macro-morphological features of leaves and microscopic characteristics of roots. Qualitative and quantitative analyses of the chemical components in the three samples were carried out using HPLC-QTOF-MS/MS, followed by a comparison of their chemical fingerprints and the content of major components. Based on multiple DNA barcoding, interspecific genetic distances were calculated and RNA secondary structures were predicted.</p><p><strong>Results: </strong>The differences in the root transverse sections provided a basis for distinguishing the three samples. A total of 67 compounds were identified using HPLC-QTOF-MS/MS, with 24 of these being common to all three samples. While their chemical fingerprints were highly similar, berberine content served as a key differentiating marker. Among DNA barcodes, PsbA3 exhibited the highest sequence variation and largest inter-species genetic distance. These properties made it the optimal barcode for discrimination. Notably, its secondary structure was relatively conserved, exhibiting a unique phenomenon of highly variable sequences with conserved structures.</p><p><strong>Conclusion: </strong>Although several diagnostic features were identified, the marked chemical similarities, conserved DNA barcodes, and shared microscopic characteristics provided novel insights into the taxonomic relationship between the genera Mahonia and Berberis.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2026-03-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"147474939","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quality Consistency Evaluation of Multiorigin Chinese Herbal Medicine by Using a Combination of Chemical Similarity and In Vitro Bioequivalence: Taraxaci Herba as a Case Study.","authors":"Yan Jiang, Hui Ni, Wen-Jing Zhao, Long Wang, Cai Zhang, Ping Li, Hui-Jun Li","doi":"10.1002/pca.70039","DOIUrl":"10.1002/pca.70039","url":null,"abstract":"<p><strong>Introduction: </strong>Multiorigin phenomenon is quite common in Chinese herbal medicine, whereas quality consistency evaluation among the involved plant species is seldom considered.</p><p><strong>Objectives: </strong>The present study, taking Taraxaci herba as a typical case, aimed to develop a strategy based on a combination of chemical similarity and in vitro bioequivalence to evaluate the quality consistency of three Taraxacum species.</p><p><strong>Materials and methods: </strong>The chromatographic fingerprints were established through two approaches, namely, high-performance liquid chromatography coupled with photodiode array detector and quadrupole time-of-flight mass spectrometry (HPLC-PDA/QTOF-MS) and gas chromatography coupled with quadrupole time-of-flight mass spectrometry (GC-QTOF-MS). The common characteristic peaks from chromatographic fingerprints were quantified. The bioactivities were tested by antioxidant and anti-inflammatory activity assays. Quality consistency of the three Taraxacum species was globally evaluated by using a combination of chemical similarity and in vitro bioequivalence through univariate and multivariate statistical analysis.</p><p><strong>Results: </strong>The statistical results showed no classification of the three species based on contents of quantified analytes and in vitro bioactivities, respectively.</p><p><strong>Conclusion: </strong>This study not only demonstrated the medicinal interchangeability of three species of Taraxaci herba but also proposed a comprehensive strategy to evaluate quality consistency of multiorigin Chinese herbal medicines by integrating chemical similarity and in vitro bioequivalence.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"305-320"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145506371","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comprehensive Analysis of Chemical Composition and In Vivo Metabolic Pathways of Evodia Fructus Using UPLC-Q-TOF-MS.","authors":"Mengru Wu, Yanyan Chen, Zihang Xu, Zhenna Xu, Yehan Zhu, Mengjiao Zhou, Guangzhi Cui, Yaqi Yao","doi":"10.1002/pca.70036","DOIUrl":"10.1002/pca.70036","url":null,"abstract":"<p><strong>Introduction: </strong>Evodia fructus (EF) is a traditional Chinese medicine with a long history of medicinal use. However, its slight hepatotoxicity hindered the development of its drug safety profile. Consequently, it was essential to elucidate the composition of its chemical components, as well as its absorption and metabolism within the body.</p><p><strong>Objective: </strong>We aimed to conduct a comprehensive and systematic analysis of the chemical components of EF, as well as the constituents present in vivo following administration to rats. Additionally, to refine the research on the identification of EF compounds and speculate on their potential medicinal ingredients, the mass spectrometry cleavage pathways and in vivo metabolic pathways of various compound types were summarized.</p><p><strong>Methods: </strong>Ultra-high performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF-MS) was employed to qualitatively analyze the components and metabolites of EF in vitro and in vivo. The compounds were identified using MassLynx 4.1 software, which facilitated the analysis of retention time, precise molecular mass, and both primary and secondary spectrometry data.</p><p><strong>Results: </strong>A total of 93 constituents were detected from the ethanol extract of EF. Moreover, 73 prototype constituents and 66 metabolites were observed and inferred from the plasma, urine, and feces of rats following administration.</p><p><strong>Conclusion: </strong>The chemical compounds of EF can be primarily categorized into alkaloids, flavonoids, terpenoids, and phenylpropanoids. The predominant compounds present in vivo were the prototype components, and the metabolites were mostly alkaloids and terpenoids. The metabolic pathways involved included hydroxylation, hydrogenation, methylation, and glucuronide conjugation, etc.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"241-272"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145506299","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sustainable Valorization of Bio-Valuable Compounds From Pinus By-Products: From Green Extraction Process to Potential Industrial Applications.","authors":"Widad Tbatou, Hassan Laaroussi, Driss Ousaaid, Bruno Eto, Badiaa Lyoussi, Zineb Benziane Ouaritini","doi":"10.1002/pca.70042","DOIUrl":"10.1002/pca.70042","url":null,"abstract":"<p><strong>Background: </strong>Pine forests are among the most extensive forest ecosystems in the world, and pine trees produce a variety of by-products, including needles, bark, seeds, and resin, which are rich in natural antioxidants and other bioactive compounds with significant potential in the nutraceutical, pharmaceutical, and cosmetic sectors. Historically, they have been undervalued and often treated as waste biomass.</p><p><strong>Objective: </strong>This review consolidates current knowledge on the antioxidant composition of pine by-products, with a focus on their innovative applications in developing new pharmaceuticals, nutraceuticals, and cosmetic products.</p><p><strong>Results: </strong>The chemical composition of these by-products, such as polyphenol compounds, varies based on species, geographic and environmental conditions, and extraction techniques. Emphasis is placed on green and sustainable extraction processes that preserve antioxidant potency while minimizing environmental impact. Both in vivo and in vitro studies have demonstrated a range of beneficial effects, including anti-inflammatory, anticancer, antidiabetic, and protective activities against oxidative stress-related diseases. By harnessing the antioxidant potential of pine-derived biomaterials, we can reduce waste, promote circular bioeconomy strategies, and develop innovative health-promoting products.</p><p><strong>Conclusions: </strong>However, further research and technological advancements are needed to bring these applications to an industrial scale, serving sustainable development goals.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"182-215"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145743973","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Screening of Anti-Postmenopausal Osteoporosis Active Components With ESR2 Targeting Affinity in Dioscoreae Rhizoma Based on Affinity Ultrafiltration-UPLC-QE-Orbitrap-MS.","authors":"Wanjie Liu, Kunping Yang, Yishan Li, Yawen Li, Shuo Wang, Bing Yang, Wei Feng, Jingwei Lv, Jiaming Sun","doi":"10.1002/pca.70034","DOIUrl":"10.1002/pca.70034","url":null,"abstract":"<p><strong>Background: </strong>Dioscoreae Rhizoma (DR) is a plant recognized for its dual medicinal and edible applications, exhibiting notable therapeutic efficacy, particularly in the treatment of postmenopausal osteoporosis (PMOP) associated with estrogen deficiency.</p><p><strong>Objective: </strong>This study sought to systematically identify bioactive compounds present in DR that interact with estrogen receptor β (ESR2) and employ affinity ultrafiltration in conjunction with UPLC-QE-Orbitrap-MS to find possible therapy options for PMOP.</p><p><strong>Methods: </strong>In this study, a C18 column was employed to fractionate the DR extract into distinct fractions, and the optimal active site in DR was identified based on its osteoprotegerin (OPG) content in MC3T3-E1 cells. To identify the DR components exhibiting high binding affinity for ESR2, affinity ultrafiltration coupled with UPLC-QE-Orbitrap-MS was utilized. These findings were further corroborated through molecular docking and molecular dynamics simulations. To further validate the osteogenic effects of the identified compounds, CCK-8 proliferation assays, along with OPG and alkaline phosphatase (ALP) activity assays, were employed.</p><p><strong>Results: </strong>The 30% DR fraction demonstrated significant anti-PMOP activity. Acacetin, Adenosine, and Procyanidin B2 are recognized as the principal active constituents responsible for the anti-PMOP effects of DR.</p><p><strong>Conclusion: </strong>This study introduces a comprehensive approach combining affinity ultrafiltration with UPLC-QE-Orbitrap-MS and molecular docking to efficiently identify ESR2-targeted therapeutic compounds for PMOP in DR. The findings offer both theoretical and empirical foundations for the advancement of novel therapeutic strategies for PMOP.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"216-227"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145275443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Unraveling the Therapeutic Mechanisms of Shanzhen Mingmu Pill in Diabetic Retinopathy: An Integration of Serum Pharmacochemistry, Network Pharmacology, and Experimental Validation.","authors":"Sichen Yang, Guoyan Mo, Xinxin Pi, Tao Xiong, Long Cheng, Yan Meng, Junjie Hu, Weizhong Jiang, Zhaohua Shi","doi":"10.1002/pca.70038","DOIUrl":"10.1002/pca.70038","url":null,"abstract":"<p><strong>Purpose: </strong>This study aimed to identify the bioactive ingredients of Shanzhen Mingmu Pill (SMP) and investigate its mechanisms of action against diabetic retinopathy (DR).</p><p><strong>Methods: </strong>We performed a qualitative analysis of SMP and drug-containing serum using UPLC-Q-Exactive MS/MS. Network pharmacology was applied to predict core targets and signaling pathways, followed by the construction of a \"formula-component-target-pathway-disease\" topological network. Molecular docking was employed to predict the binding capabilities between core targets and active constituents, followed by molecular dynamics simulations to validate the docking results. Furthermore, in vitro experiments using high glucose-induced human retinal microvascular endothelial cells (HRMECs) were performed to validate the anti-DR efficacy and mechanism.</p><p><strong>Results: </strong>We identified 159 chemical components in SMP, along with 16 prototype components and 11 metabolites in serum. The core targets, including TP53, SRC, STAT3, ESR1, and AKT1, were identified through network pharmacology, and strong binding affinities between the active components and these targets were confirmed by molecular docking. In vitro, SMP significantly attenuated high glucose-induced apoptosis and reduced intracellular reactive oxygen species (ROS) levels in HRMECs. Western blot showed that this protective effect was mediated through the PI3K-Akt signaling pathway.</p><p><strong>Conclusion: </strong>The chemical components, blood-absorbed components, potential targets, and mechanistic pathways of SMP in DR treatment were systematically elucidated. This study preliminarily determined the material basis and pharmacological mechanisms of SMP, laying a foundation for further translational research and clinical application.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"287-304"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145513408","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advances in Extraction and Quantification of Minor Phytocannabinoids.","authors":"Nikita Gandlevskiy, Alessandro Barge, Giancarlo Cravotto","doi":"10.1002/pca.70040","DOIUrl":"10.1002/pca.70040","url":null,"abstract":"<p><p>Ever since the chemical structures of major phytocannabinoids, such as Δ⁹-tetrahydrocannabinol (THC) and cannabidiol (CBD), were elucidated, the majority of research has focused primarily on these compounds, often overlooking the other ~160 minor cannabinoids identified in Cannabis sativa to date. However, in recent years, these previously understudied cannabinoids have garnered increasing scientific attention due to advancements in highly sensitive analytical techniques that enable their detection in plant matrices. Moreover, early-stage clinical trials have demonstrated that several minor cannabinoids exhibit promising therapeutic potential. This review aims to provide a comprehensive summary of recent developments in the extraction, analysis, and potential applications of selected minor phyt cannabinoids, with the goal of facilitating future research in this field. A thorough analysis of the latest data has been conducted to offer a detailed overview of current extraction and quantification methodologies for minor cannabinoids.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"156-181"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145649106","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"New Insights Into Curcumin Behavior After Its Biosynthesis in Engineered Escherichia coli Through Spectroscopic and Spatial Analysis.","authors":"Hassan Sher, Hui Wang, Hayat Ullah, T T Trinh Phan, Jesse B Brown, M Tuan Trinh, Yi Rao, Jixun Zhan","doi":"10.1002/pca.70041","DOIUrl":"10.1002/pca.70041","url":null,"abstract":"<p><strong>Introduction: </strong>Curcumin is a naturally occurring compound with anti-inflammatory, cholesterol-lowering, antidiabetic, and antioxidant properties. Curcumin can be biosynthesized in microbial hosts despite being found natively in Curcuma longa roots.</p><p><strong>Objectives: </strong>It is unclear whether curcumin is transported out of microbial cells, binds to the inner or outer cell membrane, or accumulates inside. This study aims to gain a better understanding of curcumin's behavior after its formation in the host, which could lead to the development of new approaches to improve curcumin production.</p><p><strong>Material and methods: </strong>Advanced imaging techniques, including SEM, TEM, SHS, and TPF, were utilized to understand the behavior of curcumin within and outside of engineered Escherichia coli cells.</p><p><strong>Results: </strong>Curcumin was biosynthesized from ferulic acid in engineered E. coli BL21(DE3) by coexpressing 4-coumarate: CoA ligase and curcuminoid synthase. Second harmonic scattering (SHS) spectroscopy experiments utilized curcumin as a probe to investigate the surface binding of curcumin onto living E. coli cells with experimentally determined adsorption free energy, ΔG, values of -14.0 kcal/mol. By employing second harmonic and two-photon fluorescence imaging methods, the spatial distribution of curcumin aggregates was determined. Electron microscopy images revealed the presence of curcumin aggregates within the cells, at the surface, and in the media.</p><p><strong>Conclusion: </strong>These experiments demonstrate that curcumin biosynthesis from ferulic acid leads to significant product aggregation within the cells, which could ultimately halt production by inducing cell death. Understanding the localization, transport, and removal of curcumin is crucial in developing more efficient biosynthetic pathways to enhance its production in microbial systems.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"321-329"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145649096","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Sesquiterpenoids and Polyacetylenes From Notopterygium Incisum With Anti-Rheumatoid Arthritis Activity.","authors":"Fan Wu, Wen-Jian Gu, Lu Chen, Bing Xia, Yu Wang, Li-Jun Huang, Ke Wang, Yu-Cheng Gu, Yan Zhou","doi":"10.1002/pca.70037","DOIUrl":"10.1002/pca.70037","url":null,"abstract":"<p><strong>Introduction: </strong>Notopterygium incisum is a traditional Chinese and Tibetan medicinal herb widely used for treating colds, rheumatism, and musculoskeletal disorders.</p><p><strong>Objectives: </strong>The aims of the study were to isolate sesquiterpenoids and polyacetylenes from N. incisum rhizomes and to evaluate their potential anti-rheumatoid arthritis activity.</p><p><strong>Methods: </strong>Compounds were isolated using chromatographic techniques. Structures were elucidated by 1D/2D NMR, UV, IR, and HRESIMS, and absolute configurations were assigned using TD-DFT ECD calculations. Their anti-RA activity was assessed by measuring pro-inflammatory cytokine inhibition in TNF-α-induced MH7A cells. Some compounds were evaluated by molecular docking and molecular dynamics simulations to further explore possible molecular targets related to RA.</p><p><strong>Results: </strong>Twenty-one compounds, including seven new ones and one newly identified natural product, were obtained. Several compounds showed significant inhibition of pro-inflammatory cytokines in TNF-α-induced MH7A cells. Molecular docking also revealed varying degrees of binding affinity to RA-relevant proteins, and dynamics simulations confirmed the stability of most selected complexes.</p><p><strong>Conclusions: </strong>A series of sesquiterpenoids and polyacetylenes was isolated. Several compounds exhibited notable anti-inflammatory activity, suggesting that these structural types may underlie the anti-RA effects of N. incisum.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"273-286"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145471735","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Discrimination of Three Panax Plants Based on Small Molecular Weight Saccharide Fractions Using HPAEC-PAD Coupled With Multivariate Statistical Models.","authors":"Yue Wang, Xue-Qing Liu, Jun Liang, Hai-Xue Kuang, Yong-Gang Xia","doi":"10.1002/pca.70035","DOIUrl":"10.1002/pca.70035","url":null,"abstract":"<p><strong>Introduction: </strong>Accurate discrimination of Panax ginseng, P. quinquefolius, and P. notoginseng is crucial in traditional Chinese medicine (TCM). Distinct from conventional small molecule compounds (e.g., saponins, volatile oils), proteins, or polysaccharides, this study pioneers small molecular weight saccharide fractions (SMS) as a novel class of biomarkers for species differentiation.</p><p><strong>Objectives: </strong>This study aimed to develop an SMS-based method for distinguishing the three Panax plants.</p><p><strong>Methods: </strong>A simple and reproducible workflow was developed for obtaining natural SMS from the three Panax species through systematic optimization of ultrasonic extraction protocols and purification procedures. The chemical structures of three SMS were characterized by integrating non-targeted HILIC-ESI^--QTOF-MS^E with targeted HILIC-ESI^--QTOF-MS² analysis. SMS-based fingerprinting of the three Panax species was constructed using HPAEC-PAD, followed by multivariate statistical models (PCA, PLS-DA, and LDA models) for species discrimination and cluster analysis.</p><p><strong>Results: </strong>The optimal extraction conditions were identified as 60°C, a solid-liquid ratio of 1:30, 50 min duration, and 50% ethanol concentration. SMS with degrees of polymerization (DPs) 2 to 13 were identified, revealing preliminary structural differences among the three Panax species. The established HPAEC-PAD fingerprinting combined with multivariate models (PCA, PLS-DA, and LDA) enabled distinct species separation and achieved high classification accuracy, with successful prediction of external validation samples.</p><p><strong>Conclusions: </strong>This study presents the first integration of HPAEC-PAD fingerprinting with multivariate statistical models for successfully discriminating three Panax species based on SMS, validating SMS as a reliable class of biomarkers for species identification and offering a distinct alternative to traditional markers.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"228-240"},"PeriodicalIF":2.6,"publicationDate":"2026-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145459507","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}