Phytochemical Analysis最新文献

{"title":"A Validated Method for Identification and Quantification of Anthocyanins in Different Black Rice (Oryza sativa L.) Varieties Using High-Performance Thin-Layer Chromatography (HPTLC).","authors":"Jyoti Lekha Borah, Soibam Tampha, Robinson C Jose, Sushil K Chaudhary, Sanjay Kumar Chetia, Amrit Tamuly, Nanaocha Sharma, Pulok Kumar Mukherjee, Pardeep K Bhardwaj","doi":"10.1002/pca.3510","DOIUrl":"10.1002/pca.3510","url":null,"abstract":"<p><strong>Introduction: </strong>Black rice (Oryza sativa L.) has gained prominence as a functional food because of its rich content of anthocyanins and polyphenols, offering potential health benefits. However, comprehensive research addressing the diverse anthocyanin compositions in black rice cultivars remains limited.</p><p><strong>Objective: </strong>This study aimed to quantify anthocyanin contents, specifically kuromanin, cyanidin-3-glucoside, peonidin-3-O-glucoside, peonidin-3-glucoside chloride, and cyanidin-3-rutinoside chloride, in 150 rice varieties sourced from the North Eastern Region of India using a robust high-performance thin-layer chromatography (HPTLC) method.</p><p><strong>Materials and methods: </strong>Rice grains of varying colors-black, orange-reddish, and white-were subjected to methanol extraction under dark conditions through cold maceration for 72 h. The resulting extracts underwent separation on HPTLC silica gel 60 F₂₅₄ plates utilizing an optimized mobile phase of ethyl acetate, 2-butanol, formic acid, and water (9:6:3:3::v/v/v/v).</p><p><strong>Results: </strong>Anthocyanins were found to be present, and they were most visible in white light compared with UV light at 254 and 366 nm. They were analyzed via densitometry under white light illumination in transmission mode following development. Notably, anthocyanins were absent in grains of white and orange-reddish rice varieties, except for specific lines of Joha (JN 71, JN 83, JN 77, and JN 78) and all black rice variants. Among these, BR 15 exhibited the highest kuromanin content (74.14 ± 0.82 μg/mg), while BR8 showcased the highest peonidin-3-glucoside chloride concentration (27.59 ± 0.83 μg/mg).</p><p><strong>Conclusion: </strong>This comprehensive analysis provides detailed insights into the anthocyanin compositions of 15 significant black rice cultivars, offering crucial data for breeding programs targeting enhanced anthocyanin-rich cultivars and the development of functional foods.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1268-1277"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143009862","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":"A Metabolomics Strategy Combining Countercurrent Separation and qNMR for the Comprehensive Chemical Evaluation of Polygoni Multiflori Radix Processing.","authors":"Trung Huy Ngo, Yoon-Jin Lee, Hyukjae Choi, Kyung-Sik Song, Kyu Joon Lee, Joo-Won Nam","doi":"10.1002/pca.3483","DOIUrl":"10.1002/pca.3483","url":null,"abstract":"<p><strong>Introduction: </strong>Polygoni Multiflori Radix (PMR) is commonly used in traditional medicine as both raw and processed forms. Raw PMR was prepared into processed PMR via processing procedure; however, there is a lack of standardized protocols ensuring the completeness of processing.</p><p><strong>Objective: </strong>This aims to develop a strategy based on a metabolomics approach for the comprehensive chemical profiling and comparison of raw and processed PMR and establish a basis for PMR processing standardization.</p><p><strong>Materials and methods: </strong>Methanol extracts of raw and processed PMR were fractionated by centrifugal partition chromatography (CPC) with an optimized two-phase solvent system based on the partition coefficient calculated from the shake-flask method to produce primary (1°Ms)- and secondary metabolites (2°Ms)-enriched fractions. These fractions were profiled by 1D and 2D and selective 1D NMR experiments, spectral fitting, and comparison with reference standards. The profiled compounds were quantified via quantitative ¹H NMR (qHNMR) to show the chemical changes, which were correlated with changes in antioxidant effects on H2452 cells.</p><p><strong>Results: </strong>A CPC method was developed to efficiently separate 1°Ms- and 2°Ms-enriched fractions. This method achieved high purity of the major stilbene in PMR in a single run. qHNMR effectively quantified four 2°Ms and twenty-one 1°Ms in both raw and processed PMR, including meso-butane-2,3-diol, which was first reported from processed PMR. Changes in chemical composition of PMR because of processing are highly correlated to the increase of antioxidant activity.</p><p><strong>Conclusion: </strong>A convenient and cost-effective strategy for the comprehensive chemical profiling of raw and processed PMR was developed by combining countercurrent separation and qHNMR. This approach will contribute to the standardization of medicinal herbal materials.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"973-984"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142739143","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":"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":"1063-1078"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","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}

{"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":"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":"1130-1140"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","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":"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":"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":"1168-1184"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","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":"Screening Anti-Rheumatoid Arthritis Synovitis Effective Ingredients of Total Flavonoid From Artemisia argyi Folium Based on Spectrum-Effect Relationship.","authors":"Yu Shi, Yueyue Lei, Shiwen Guo, Lujun Li, Xu Li, Xinyi Liu, Shuiping Ding","doi":"10.1002/pca.3479","DOIUrl":"10.1002/pca.3479","url":null,"abstract":"<p><strong>Introduction: </strong>Flavonoids are the main nonvolatile component responsible for the anti-rheumatoid arthritis (RA) synovitis activities of Artemisia argyi Folium. However, the effective ingredient remains unidentified. Spectrum-effect relationships analysis was a reliable and efficient strategy for herbal effective ingredient discovery.</p><p><strong>Objectives: </strong>This study aimed to screen the effective ingredients within the total flavonoid from Artemisia argyi Folium (TFAA) that exhibit anti-RA synovitis activities based on spectrum-effect relationship.</p><p><strong>Methods: </strong>TFAA was obtained through ethanol extraction and subsequent purification with D101 resin from 15 distinct batches of Artemisia argyi Folium. The fingerprint of TFAA was established using HPLC, and its efficacy against RA synovitis was evaluated by determining the inhibition rate of nitric oxide (NO) on MH7A synovioblast induced by TNF-α. Common peaks were identified using HPLC-MS/MS and authentic standards. The spectrum-effect relationships between the fingerprints and efficacy were analyzed by gray relational analysis (GRA), canonical correlation analysis (CCA), and partial least squares regression analysis (PLSR) to pinpoint the peaks responsible for the anti-RA synovitis activity, and the results were further verified by in vitro anti-RA synovitis experiments and molecular docking studies.</p><p><strong>Results: </strong>The fingerprint revealed 14 common peaks, and 12 compounds were identified, including four caffeoylquinic acids and eight flavonoids. Among them, five flavonoids-X10 (hispidulin), X11 (jaceosidin), X12 (centaureidin), X13 (eupatilin), and X14 (casticin)-were highly relevant to anti-RA synovitis activity. Verification experiments confirmed their inhibitory effect on NO production and cytokine secretion in MH7A cells, showing anti-RA synovitis potential, which was consistent with the established spectrum effect relationship. The underlying mechanism might be related to the inhibition of iNOS.</p><p><strong>Conclusion: </strong>Hispidulin, jaceosidin, centaureidin, eupatilin, and casticin were the key effective ingredient of TFAA responsible for its anti-RA synovitis effects. These compounds can serve as quality control markers for Artemisia argyi Folium and as lead compounds for anti-RA synovitis treatment.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"943-956"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626174","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":"Integrating Metabolomic Analysis, Network Pharmacology, and Molecular Docking to Underlying Pharmacological Mechanism and Ethnobotanical Rationalization for Diabetes Mellitus: Study on Medicinal Plant Fibraurea tinctoria Lour.","authors":"Abdul Halim Umar, Septina Asih Widuri, Yohana Caecilia Sulistyaningsih, Diah Ratnadewi","doi":"10.1002/pca.3477","DOIUrl":"10.1002/pca.3477","url":null,"abstract":"&lt;p&gt;&lt;strong&gt;Introduction: &lt;/strong&gt;Fibraurea tinctoria Lour. has long been used in traditional medicine to treat diabetes mellitus (DM). However, a comprehensive scientific understanding of its potential active compounds and underlying pharmacological mechanisms still needs to be unveiled.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Objective: &lt;/strong&gt;This study, therefore, presents a novel approach by integrating metabolomic profiling, pharmacological network, and molecular docking analysis to investigate the potential of F. tinctoria as antidiabetes mellitus.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Methods: &lt;/strong&gt;Active compounds were obtained through analysis using ultrahigh-performance liquid chromatography-quadrupole-orbital ion trap-high resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) and screening of active compounds using Lipinski rule of five and ADMET parameters. Potential targets of F. tinctoria compounds and DM-related targets were retrieved from public databases, such as DisGeNET, GeneCards, OMIM, PharmaGKB, and TTD. The targets' gene ontology (GO) was created using DAVID and protein-protein interactions using STRING. The plant-organ-compound-target-disease network was constructed using Cytoscape. Then, molecular docking analysis predicted and verified the interactions of essential bioactive compounds of F. tinctoria and DM core targets.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Results: &lt;/strong&gt;The network pharmacology approach identified 35 active compounds, 565 compound-related targets, and 17,289 DM-related targets. EGFR, HSP90AA1, ESR1, HSP90AB1, and GSK3B were the core targets, whereas isolariciresinol, cubebin, corypalmine, (-)-8-oxocanadine, and (+)-N-methylcoclaurine were the most active compounds of F. tinctoria with DM potential. GO functional enrichment analysis revealed 483 biological processes, 485 cellular components, and 463 molecular functions. REACTOME pathway enrichment analysis yielded 463 significantly enriched signaling pathways. Of these pathways, the cytokine signaling in the immune system pathway may play a key role in treating DM. The results of molecular docking analysis showed that the core targets of DM, such as 5gnk, 3o0i, 6psj, 5ucj, and 1q5k, bind stably to the analyzed bioactive compounds of F. tinctoria.&lt;/p&gt;&lt;p&gt;&lt;strong&gt;Conclusions: &lt;/strong&gt;This study provides significant insights into the potential mechanism of F. tinctoria in treating DM. The main active compounds of F. tinctoria were found to interact with the core targets (EGFR, HSP90AA1, ESR1, HSP90AB1, and GSK3B) through the cytokine signaling pathway in the immune system, suggesting a potential therapeutic pathway for DM. However, it is essential to note that these findings are preliminary, and further research is necessary to validate them. Those research studies could involve in vitro and in vivo studies to confirm the bioactivity of the identified compounds and their interactions with the core targets. When the findings are confirmed, they could have significant clinical implications, potentially leading to develop","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"912-933"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142626238","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":"Comparison of Plant Genomic DNA Extraction Kits Using the Proofman-LMTIA Amplification Assay.","authors":"Wei Yao, Yajie Wang, Dan Zhou, Jinxin Liu, Chunmei Song, Xiaohua Zhang, Deguo Wang, Yao Wang","doi":"10.1002/pca.3497","DOIUrl":"10.1002/pca.3497","url":null,"abstract":"<p><strong>Introduction: </strong>The extraction of DNA is the basis of molecular biology research. The quality of the extracted DNA is one of the key factors for the success of molecular biology experiments.</p><p><strong>Objective: </strong>To select a suitable DNA extraction method for Chinese medicinal herbs and seeds.</p><p><strong>Methods: </strong>In this experiment, four commercial DNA extraction kits were used to extract the genomic DNA (gDNA) from the Pinellia ternata (Thunb.) Breit. powder; Arisaema amurense Maxim. powder as well as the seeds of Glycine max (L.) Merr. On the one hand, the concentration and purity of DNA extracted by these four kits were compared. On the other hand, nucleic acid amplification experiments were performed on three samples extracted by each of the four kits by Proofman-LMTIA methods, which is a novel nucleic acid isothermal amplification technique. The concentration and purity of DNA extracted by different kits were used to determine which methods were suitable for the dry powder of Chinese herbal medicines and seeds. The efficiency of the amplification curve to show whether the extracted DNA can be used in nucleic acid amplification experiments.</p><p><strong>Results: </strong>The results showed that the Proofman-LMTIA methods were of high specificity and the optimal reaction temperatures were 63, 59, and 59°C for P. ternata (Thunb.) Makino; A. amurense Maxim. and G. max (L.) Merr., respectively. The concentration and purity of the gDNAs extracted with all kits were within the acceptable ranges; meanwhile, the amplification of the gDNA extracted by Kit II was of the highest efficiency.</p><p><strong>Conclusion: </strong>In this experiment, the principle, concentration, purity, and time taken for extracting DNA with four kits were compared. The automated extraction kit based on the magnetic method is suitable for extracting DNA from Chinese medicinal herbs and seeds. The extracted DNA is suitable for nucleic acid amplification detection.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1118-1129"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142896844","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":"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":"1041-1052"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","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":"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":"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":"1153-1167"},"PeriodicalIF":3.0,"publicationDate":"2025-06-01","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}