Phytochemical Analysis最新文献

{"title":"Chemical Fingerprinting and Multivariate Analysis of Different Grades of Farfarae Flos Using HPLC and UPLC-ESI-Q/TOF-MS/MS.","authors":"Yilei Zhang, Yihan Zhu, Gang Zhang, Jing Gao, Yonggang Yan, Ying Chen, Qi Guo, BingYue Yang, Liang Peng","doi":"10.1002/pca.3501","DOIUrl":"https://doi.org/10.1002/pca.3501","url":null,"abstract":"<p><strong>Introduction: </strong>Farfarae Flos is widely used as a traditional herbal medicine. Currently, its size has been the primary grading criterion used in market circulation. Whether this empirical criterion can accurately reflect the quality of the medicinal material has not been systematically studied.</p><p><strong>Objective: </strong>This study aimed to evaluate the quality of Farfarae Flos from different regions based on their grades.</p><p><strong>Methods: </strong>Ultra-high performance liquid chromatography coupled with electrospray ionization quadrupole time-of-flight mass spectrometry (UPLC-ESI-Q/TOF-MS/MS) were applied to study the chemical constituents of Farfarae Flos; high performance liquid chromatography (HPLC) was used to quantify the content of Farfarae Flos samples. Meanwhile, fingerprint analysis and chemometric methods, including principal component analysis (PCA) and analysis of variance (ANOVA), were used to evaluate the quality differences among 33 batches of Farfarae Flos samples of different grades.</p><p><strong>Results: </strong>A total of 95 individual components were identified in Farfarae Flos. Fingerprint analysis revealed 23 common peaks, with fingerprint similarity among the 33 batches ranging from 0.838 to 0.995. PCA divided the 33 batches of Farfarae Flos into three categories based on their grades. ANOVA indicated significant differences in five of the 14 main active components across different grades of Farfarae Flos, with two components showing extremely significant differences. HPLC content determination showed that the content of 11 main active components was positively correlated with the grades of Farfarae Flos.</p><p><strong>Conclusion: </strong>This method is straightforward, efficient, and reliable, offering a valuable reference for establishing quality grading standards and ensuring the quality control of Farfarae Flos.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142984519","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":"Visualizing the Spatial Distribution of Metabolites in Angelica sinensis Roots by Matrix-Assisted Laser Desorption/Ionization Mass Spectrometry Imaging.","authors":"Xiaofei Yue, Li Feng, Chenglong Sun, Lu Wang","doi":"10.1002/pca.3507","DOIUrl":"https://doi.org/10.1002/pca.3507","url":null,"abstract":"<p><strong>Introduction: </strong>Angelica sinensis is one of the most popular traditional Chinese medicines (TCM) and has been extensively used to treat various diseases. Hundreds of endogenous ingredients have been isolated and identified from this herb, but their spatial distribution within the plant root is largely unknown.</p><p><strong>Objectives: </strong>In this study, we tried to investigate and map within-tissue spatial distribution of metabolites in Angelica sinensis roots.</p><p><strong>Material and methods: </strong>After optimization of experiment conditions, the 1,5-diaminonaphthalene (1,5-DAN) was chosen as the matrix and was sprayed on the surface of root sections. Then matrix-assisted laser desorption/ionization mass spectrometry imaging (MALDI-MSI) was employed to perform in situ detection and obtain detail spatial distribution information of metabolites in Angelica sinensis roots.</p><p><strong>Results: </strong>The spatial distributions of a wide range of metabolites including organic acids, amino acids, oligosaccharides, and phospholipids were characterized and visualized in Angelica sinensis roots. Majority of these metabolites were located in the phloem and xylem, while ferulic acid was mainly present in the cork layer. The results revealed a dramatic metabolic heterogeneity among different regions of the roots and distinct spatial distribution patterns of different metabolites. Additionally, the metabolic pathways involved in the biosynthesis of choline were also successfully localized and visualized.</p><p><strong>Conclusion: </strong>This study comprehensively characterized the spatial distribution of metabolites in Angelica sinensis roots, which would prompt the understanding of its chemical separation, biosynthesis, and pharmacological activities.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142984469","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":"Untargeted Characterization and Biological Activity of Amazonian Aqueous Stem Bark Extracts by Liquid and Gas Chromatography-Mass Spectrometry.","authors":"Jefferson V Pastuña-Fasso, Nina Espinosa de Los Monteros-Silva, Cristian Daniel Quiroz-Moreno, Evencio Joel Medina-Villamizar, Gabriela Sosa-Pozo, Pablo A Cisneros-Pérez, Carolina Proaño-Bolaños, Matteo Radice, Zulay Niño-Ruíz, Noroska G S Mogollón","doi":"10.1002/pca.3500","DOIUrl":"https://doi.org/10.1002/pca.3500","url":null,"abstract":"<p><strong>Introduction: </strong>Aqueous stem bark extracts of Aspidosperma rigidum Rusby, Couroupita guianensis Aubl., Monteverdia laevis (Reissek) Biral, and Protium sagotianum Marchand have been reported as traditional remedies in several countries of the Amazonian region. Despite previous research, further investigation to characterize secondary metabolites and the biological activity of extracts is needed to derive potential applications.</p><p><strong>Material and methods: </strong>Metabolic profiling was carried out using liquid and gas chromatography coupled with mass spectrometry (UHPLC-MS/MS and GC-MS). The chemical composition of the studied plants was further compared by principal component analysis (PCA). Additionally, chemical profiles were correlated with antimicrobial and toxicity activities, which suggested potential metabolites for future research.</p><p><strong>Results: </strong>We identified 16 and 32 compounds by UHPLC-MS/MS and GC-MS analysis, respectively. Antimicrobial activity was detected in three stem bark extracts. C. guianensis showed inhibition of all tested microorganisms, including antibiotic-resistant strains. Molecular networking approaches, in silico tools, and Pearson's correlation showed that antifungal compounds could be a terpene glycoside (r = 0.918) and/or a phenolic (r = 0.882) metabolite class.</p><p><strong>Conclusion: </strong>This study highlights the use of the established procedure in exploring the metabolomes of these species, which could be a novel source of antimicrobial drug discovery. Coupling the observed biological potential with UHPLC-MS/MS data has also accelerated the tracing of their bioactive compounds. These findings update the state of the art regarding the chemical composition and biological activity of the plant extracts, defining potential new applications for the pharmaceutical applications.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142984466","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":"Analyzing How Zhizi Baipi Decoction Regulates VEGF to Suppress RA Angiogenesis Using Network Pharmacology and Experimental Validation.","authors":"Jing Xu, Yulong Zhu, Yi Wei, Peirong Gan, Shilin Xia, Ya Li, Xiaoman Jiang, Yan Wang, Hong Wu","doi":"10.1002/pca.3508","DOIUrl":"https://doi.org/10.1002/pca.3508","url":null,"abstract":"<p><strong>Introduction: </strong>Rheumatoid arthritis (RA) is a chronic autoimmune disease that primarily manifests with symptoms such as heat and toxin. However, the key components and molecular mechanisms of Zhizi Baipi decoction (ZBD) in the treatment of RA are still unclear.</p><p><strong>Objectives: </strong>The study aimed to explore the mechanism of action of ZBD for treating RA through ingredient analysis, network pharmacology, and experimental validation.</p><p><strong>Material and methods: </strong>The chemical constituents of ZBD were identified by ultra-high performance liquid chromatography coupled with Q-TOF-mass spectrometry (UPLC-Q-TOF-MS^E). Additionally, the active ingredients of ZBD treating RA were screened by network pharmacology and using molecular docking to verify the binding energy of the active ingredients and ZBD's targets. Then we elucidated ZBD's mechanism of action on collagen-induced arthritis (CIA) model rats. Subsequently, experimental validations were used to validate the findings of network pharmacology.</p><p><strong>Results: </strong>A total of 84 chemical constituents was identified by UPLC-Q-TOF-MS^E. The results of network pharmacology indicated that ZBD could exert its therapeutic effect on RA through the vascular endothelial growth factor (VEGF) pathway. Molecular docking revealed a strong binding capacity between the target KDR and the active ingredients. Additionally, we quantified the five active ingredients of ZBD. In vivo experiments demonstrated that ZBD inhibited synovial angiogenesis and alleviated the occurrence and progression of RA.</p><p><strong>Conclusion: </strong>Overall, ZBD has a significant therapeutic effect on RA. The results of qualitative analysis, network pharmacology, molecular docking, and in vivo experiments indicated that the main active components of ZBD could modulate the VEGF pathway to treat RA.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142984517","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":"HPTLC-Bioautography-MS-Guided Strategy for the Detection of Phthalides With Antimicrobial and Antioxidant Activities From Ligusticum chuanxiong Essential Oil.","authors":"Zhijun Wang, Xiaomeng Tang, Lei Lv, Sicong Qiao, Mengxin Chen, Hongjie Song","doi":"10.1002/pca.3498","DOIUrl":"https://doi.org/10.1002/pca.3498","url":null,"abstract":"<p><strong>Introduction: </strong>Antimicrobial resistance and free radical-mediated oxidative stress and inflammation involved in many pathological processes have become treatment challenges. One strategy is to search for antimicrobial and antioxidant ingredients from natural aromatic plants. This study established a rapid and high-throughput effect-component analysis method to screen active ingredients from Ligusticum chuanxiong essential oil (CXEO).</p><p><strong>Objective: </strong>The study aims to screen phthalides with antimicrobial and antioxidant activities from CXEO by high-performance thin-layer chromatography (HPTLC)-bioautography combined with HPLC-TOF/MS method.</p><p><strong>Methods: </strong>Antimicrobial activity was evaluated by disc diffusion and micro broth dilution methods. Antioxidant capacity was performed by DPPH scavenging test. Phthalides in CXEO were identified using HPLC-TOF/MS method. HPTLC-bioautography technique was established to screen phthalides of antifungal and antioxidant activities.</p><p><strong>Results: </strong>CXEO had significant inhibitory activity against Candida albicans, weak or undetected inhibitory activity against Staphylococcus aureus, Escherichia coli, and Pseudomonas aeruginosa. For tested strains of C. albicans, inhibition zone diameters ranged from 13 to 17 mm, and MICs were from 0.5 to 2 mg mL^-1. CXEO also had strong antioxidant activity, IC₅₀ value for scavenging DPPH free radicals was 1.014 ± 0.014 mg mL^-1. Nine phthalides in CXEO were tentatively identified. Ligustilide and senkyunolide A were screened to have both antimicrobial activity against C. albicans and strong DPPH scavenging property.</p><p><strong>Conclusion: </strong>HPTLC-bioautography-MS-guided strategy is very practical for high-throughput screening of antifungal and antioxidant phthalides from CXEO. In vitro experiments have shown that phthalides and CXEO have good biological activities, which may be used to the treatment of C. albicans infection or oxidative stress damage caused by various diseases. The therapeutic potential should be validated in vivo in the future.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142979424","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 Evaluation of Wenyujin Rhizoma Concisum From Different Districts in China Based on HPLC, Heracles NEO Ultrafast Gas-Phase Electronic Nose, and FT-NIR.","authors":"Sichen Wang, Kewei Zhang, Xiuqi Gan, Tianfei Ma, Tulin Lu, Chunqin Mao","doi":"10.1002/pca.3506","DOIUrl":"https://doi.org/10.1002/pca.3506","url":null,"abstract":"<p><strong>Introduction: </strong>Wenyujin Rhizoma Concisum, named as Pian Jianghuang (PJH) in China, is the decoction piece from the dried rhizome of Curcuma wenyujin Y. H. Chenet C. Ling, has been used to relieve pain for many years in China. However, the qualities of PJH in different districts differ greatly due to their growing environments, which would affect their clinical applications.</p><p><strong>Objective: </strong>To evaluate the qualities of PJH from different districts in China.</p><p><strong>Methods: </strong>HPLC, Heracles NEO ultrafast gas-phase electronic nose, and Fourier transform near-infrared (FT-NIR) spectroscopy were applied to estimate the qualities of PJH from different districts in China.</p><p><strong>Results: </strong>By HPLC, the average contents of neocurdione, curdione, germacrone, and furanodiene were 0.203%, 0.151%, 0.022%, and 0.022% in Fujian (FJ); 0.447%, 0.786%, 0.298%, and 0.276% in Zhejiang (ZJ); 0.082%, 0.259%, 0.038%, and 0.019% in Yunnan (YN); 0.041%, 0.022%, 0.260%, and 0.024% in Guangxi (GX); and 0.026%, 0.091%, 0.260%, and 0.016% in Anhui (AH), respectively. By Heracles NEO ultrafast gas-phase electronic nose, the unique odor components in PJH from FJ, YN, and GX were 1,2,4-thiadiazole,5-ethoxy-3-(trichloromethyl), 5,6,7,8-tetrahydroquinoxaline, and 1,3,5-trimethylbenzene, respectively, while ZJ and AH both contained two unique odor components, respectively: pentyl pentanoate and dill ether (ZJ), myrcene, and 2-pentadecanone (AH). Moreover, PJH from above five districts could be discerned quickly by FT-NIR.</p><p><strong>Conclusion: </strong>The application of multidimensional analytical techniques in quality assessment of PJH from different districts in China would provide a new idea for quality control and geographical origin traceability of traditional Chinese materia medica.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142971915","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":"Characterization of Quality Marker for Mume Fructus Pulp by Ultra-Performance Liquid Chromatography-Quadrupole Time-of-Flight Mass Spectrometry-Based Untargeted Metabolomics Combined With Biological Activities.","authors":"Qiao Liu, Danni Chen, Huixin Liu, Miaomiao Wang, Yaqian Zhou, Hui Dai, Jian Liu, Wu Yin, Fangzhou Yin","doi":"10.1002/pca.3502","DOIUrl":"https://doi.org/10.1002/pca.3502","url":null,"abstract":"<p><strong>Introduction: </strong>As a widely used Chinese herbal medicine, Mume Fructus pulp (MFP) has rich nutritional value and biological activity, but its quality control research is relatively scarce.</p><p><strong>Objectives: </strong>The objective of the study was to evaluate the quality difference between MFPs from different origins and its adulterant apricot pulp (APP), and to identify potential quality markers.</p><p><strong>Methods: </strong>The chemical compositions were identified by untargeted metabolomics analysis based on ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry combined with feature-based molecular networking. The effect of the test samples on the gene expression of the pro-inflammatory cytokines was investigated by RT-qPCR and ELISA analyses to determine their anti-inflammatory potential. Antioxidant activity was assessed by a free radical scavenging assay. Subsequently, the relationship between biological activity and chemical composition was analyzed by chemometrics, and the quality index of MFP was preliminarily determined. Based on network pharmacology and molecular docking, quality markers of MFP and their possible molecular mechanisms were further determined.</p><p><strong>Results: </strong>There were significant differences in the contents of flavonoids and organic acids, as well as the anti-inflammatory and antioxidant activities of MFPs from different habitats. Its adulterant APP was not only different from MFP in composition, but also had significantly weaker biological activity. Sixteen compounds were positively correlated with the antioxidant or anti-inflammatory effects of MFP. Combined with network pharmacology and molecular docking, citric acid, maleic acid, rutin, quercetin, isoquercetin, spiraeoside, and hesperidin were identified as potential quality markers of MFP.</p><p><strong>Conclusion: </strong>This study showed the potential of untargeted metabolomic analysis combined with bioactivity assays in the identification of herbal quality markers.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142971913","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":"Isolation of a Unique Monoterpene Diperoxy Dimer From Ziziphora clinopodioides subsp. bungeana Together With Triterpenes With Antidiabetic Properties.","authors":"Milan Malaník, Jakub Treml, Renata Kubínová, Gabriela Vávrová, Michal Oravec, Jaromír Marek, Karlygash Zhaparkulova, Liliya Ibragimova, Tolkyn Bekezhanova, Aigerim Karaubayeva, Zuriyadda Sakipova, Karel Šmejkal","doi":"10.1002/pca.3505","DOIUrl":"https://doi.org/10.1002/pca.3505","url":null,"abstract":"<p><strong>Introduction: </strong>Ziziphora clinopodioides subsp. bungeana (Juz.) Rech.f. is used in traditional medicine for various purposes. Previous phytochemical studies focused on phenolic compounds, but triterpenoids were almost overlooked.</p><p><strong>Objective: </strong>The study focused on the isolation of compounds with dual antidiabetic activity from the aerial parts of Z. clinopodioides subsp. bungeana.</p><p><strong>Materials and methods: </strong>Separation of CHCl₃-soluble fraction by silica gel column chromatography using different mobile phases and purification of compounds by semi-preparative HPLC or preparative TLC. The structures of pure compounds were elucidated by 1D and 2D NMR experiments along with HRMS. Compound 1 was additionally identified by the single crystal X-ray diffraction method. α-Glucosidase inhibitory assay and GLUT4 expression and translocation in C2C12 myotubes were conducted to evaluate antidiabetic potential of isolated compounds.</p><p><strong>Results: </strong>This phytochemical study led to the isolation of 20 compounds, including a unique monoterpene diperoxy dimer (1). Compounds 7 and 9-11 displayed more potent α-glucosidase inhibitory activity (IC₅₀ 45.3-135.3 μM) than acarbose used as a positive control (IC₅₀ 264.7 μM), while only pomolic acid (5) increased GLUT4 translocation in C2C12 myotubes in a significant manner.</p><p><strong>Conclusion: </strong>Extensive chromatographic separation led to the isolation and identification of a unique monoterpene diperoxy dimer (1) from aerial parts of Z. clinopodioides subsp. bungeana. Some triterpenes inhibited α-glucosidase, another increased GLUT4 translocation. Although none of the isolated compounds demonstrated dual antidiabetic activity, selected triterpenes proved to be potent antidiabetic agents in vitro.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142953020","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":"Rapid Determination of Crocin-I in Gardenia Fruits (Gardenia jasminoides Ellis) by Combining Spectral and Image Data Through Hyperspectral Imaging.","authors":"Xin-Yue Xu, Xiao-Lu Jie, Jia-Hui Wu, Dan-Ping Xia, Zhou-Duan Xu, Zi-Rui Luo, Fei Fei, Wei-Kang Zhou, Yi Tao, Hirokazu Kawagishi, Jing Wu, Ping Wang, Pei-Shi Feng","doi":"10.1002/pca.3490","DOIUrl":"https://doi.org/10.1002/pca.3490","url":null,"abstract":"<p><strong>Introduction: </strong>Crocin-I, a water-soluble carotenoid pigment, is an important coloring constituent in gardenia fruit. It has wide application in various industries such as food, medicine, chemical industry, and so on. So the content of crocin-I plays a key role in evaluating the quality of gardenia.</p><p><strong>Objective: </strong>We assessed crocin-I content in gardenia with a rapid, nondestructive, and convenient method.</p><p><strong>Method: </strong>The data of gardenia samples were scanned under a portable visible-near-infrared (Vis-NIR) hyperspectral imaging (HSI) in the spectral range of 400-1000 nm. Afterward, the spectral data along with image-related information, encompassing color and texture, were extracted from the HSI. Based on a single information and its fusion at different fusion levels (low-level, traditional mid-level fusion, and an improved mid-level fusion), partial least squares regression (PLSR) prediction models were established and compared.</p><p><strong>Result: </strong>The results demonstrated the superiority of data fusion, which ingeniously combined spectra and image data. Compared with individual information sources, the traditional mid-level fusion model showed a robust predictive ability. The correlation coefficient of the prediction set (R_p), the root mean square error of prediction (RMSEP), and the ratios of performance to deviation (RPDP) of the model were 0.901, 0.962, and 2.262, respectively.</p><p><strong>Conclusion: </strong>This study highlights the effectiveness of the data fusion method, showcasing its capacity to significantly enhance the prediction accuracy of crocin-I content in gardenia through the integration of hyperspectral mapping data. The findings of this research are anticipated to serve as a valuable reference for predicting the active ingredients of other Chinese herbal medicines.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142953023","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":"Transcriptomic and Metabolomic Analyses Provide Insights Into the Flavonoid Biosynthesis in Dangshen.","authors":"Xuxia Liu, Haitang Ma, Xiaoling Liu, Xin Wang, Zhengjun Chen, Jie Yang, Wenrong Luo, Qin Li, Fude Yang, Fang Li","doi":"10.1002/pca.3492","DOIUrl":"https://doi.org/10.1002/pca.3492","url":null,"abstract":"<p><strong>Introduction: </strong>Dangshen (DS) has been used for hundreds of years as a traditional Chinese medicine. It has a wide range of biological activities. Flavonoids are one of the important bioactive components with strong free radical scavenging and antioxidant capacity in DS. However, the biosynthesis process of flavonoids in DS remains unclear.</p><p><strong>Objective: </strong>The aim of this study was to understand the biosynthesis molecular mechanism of flavonoids in DS.</p><p><strong>Methods: </strong>In this study, metabolomics research and transcriptome sequencing for DS were carried out. Transcript and metabolite profiles were generated by high-throughput RNA sequencing (RNA-seq) data analysis and liquid chromatography-tandem mass spectrometry, respectively.</p><p><strong>Results: </strong>In total, 256 metabolites were identified in the root, stem, leaf, and flower of DS using untargeted metabolomics. Among them, 55 flavonoids, including pinobanksin, butein, fustin, pelargonidin, apigenin, luteolin, and eriodictyol, were closely related to flavonoid metabolism, and most of them were upregulated in different tissues of DS. Furthermore, the differentially expressed genes identified by transcriptomics were mainly enriched in the biosynthesis of flavonoid, isoflavonoid, flavone, and flavonol. A number of genes, including ANS, CCOAOMT, CHI, CHS, CYP75B1, CYP75A, CYP93B2_16, CYP98A/C3'H, DFR, F3H, FLS, and HCT, may regulate the production of flavonoids in different tissues of DS. An integrated analysis of transcriptome and metabolome revealed the flavonoid biosynthetic network in DS and elucidated the diversity of flavonoid biosynthetic pathway in roots, stems, leaves, and flowers of DS.</p><p><strong>Conclusion: </strong>Our findings provide a molecular basis and new insights into flavonoid biosynthesis in DS and lay the foundation for breeding new valuable DS cultivars.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-01-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142922704","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}