Phytochemical Analysis最新文献

{"title":"Targeted Isolation of Coumarins From Sideritis Species Based on Antiviral Screening and Untargeted Metabolomics.","authors":"Ekaterina-Michaela Tomou, Olivier Engler, Antonios Chrysargyris, Nikolaos Tzortzakis, Helen Skaltsa, Corinna Urmann","doi":"10.1002/pca.3531","DOIUrl":"https://doi.org/10.1002/pca.3531","url":null,"abstract":"<p><strong>Introduction: </strong>The SARS-CoV-2 pandemic has revealed a deficiency in antiviral agents. Plants, traditionally used for respiratory infections, are valuable sources of antiviral compounds. Such a plant is the Sideritis L. taxa (mountain tea), traditionally used against cold and cough.</p><p><strong>Objectives: </strong>Accordingly, this study aimed to investigate the potential protective effects of dichloromethane extracts from Sideritis species against SARS-CoV-2.</p><p><strong>Materials and methods: </strong>Eight Sideritis extracts were tested in an in vitro pretreatment assay to assess the protective effect against SARS-CoV-2. Therefore, infectious virus particles were pre-incubated with the extract, then incubated with Vero E6 cells to finally measure cell viability as a surrogate for virus infection. Untargeted analyses (GC-MS and LC-PDA-HRESIMS) were performed to determine metabolite profiles.</p><p><strong>Results: </strong>Using an orthogonal approach that combines untargeted metabolomics and biological data from a screening assay, we characterized the phytochemical profiles of the different extracts and prioritized samples for targeted isolation. The dichloromethane extract of Sideritis cypria exhibited a notable protective effect. Untargeted analysis revealed coumarins as key compounds, with varying amounts across Sideritis species. Accordingly, fractionation of extract resulted in the isolation of two coumarin derivatives. Structure elucidation was performed using one- and two-dimensional nuclear magnetic resonance experiments. The coumarin, more abundant in S. cypria, demonstrated a slight protective effect in the SARS-CoV-2 pretreatment assay.</p><p><strong>Conclusion: </strong>This study highlights the antiviral effects of Sideritis taxa, although further investigations are necessary to clarify the full potential of the herb. Additionally, the methodology presented herein can serve as a valuable resource for future phytochemical investigations focused on coumarin content within Sideritis genus.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143788764","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":"Increment of Ginsenoside Accumulation in Ginseng Rhizome Joints and the Prediction of the Growth Year.","authors":"Faquan Wang, Shengyuan Xiao","doi":"10.1002/pca.3533","DOIUrl":"https://doi.org/10.1002/pca.3533","url":null,"abstract":"<p><strong>Introduction: </strong>The growth year of ginseng is relevant to its quality and commercial value. Ginseng rhizome joint number increases by growth year. The relationship between the metabolite accumulation and the growth year of a rhizome remains unclear. Most forest-grown ginseng rhizomes can conveniently be separated into different joints and are suitable materials for investigating ginseng metabolite accumulation.</p><p><strong>Objectives: </strong>This work aims to elucidate how ginsenoside accumulates in the ginseng rhizome joint and if it is applicable for growth-year determination.</p><p><strong>Methods: </strong>Forest-grown Panax ginseng rhizomes were separated into different joints according to their growth scars; ginsenosides in each joint were then tested using high-performance liquid chromatography-tandem mass spectrometry. The age-related ginsenosides screening was performed using orthogonal partial least squares analysis (OPLS). Several ground-cultivated ginseng rhizomes have also been tested.</p><p><strong>Results: </strong>Ginsenoside contents in different joints of a rhizome increase with its growth year and reach their corresponding equilibriums in specific years. Notoginsenoside R3 and ginsenoside Rg1 were the most relevant to the growth year. They increase continuously from 0 to 8 years. Perhaps, the OPLS improved the linearity of the relationship between scores and ages. The predictions of the growth year of a rhizome joint using the OPLS models were accurate.</p><p><strong>Conclusion: </strong>Some ginsenosides increased in ginseng rhizome joints by their growth year. The OPLS score of a rhizome joint can be used to determine its growth year.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-04-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143788761","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 Evaluation of Qingpi Products Using E-Eye, Fast GC e-Nose, and FT-NIR.","authors":"Xiaoyu Fan, Jiayi Wang, Binghan Liu, Mingxuan Li, Peijun Sun, Jialei Wu, Shuai Zhang, Fangzhou Yin, Jining Liu, Tulin Lu, Lihong Chen","doi":"10.1002/pca.3532","DOIUrl":"https://doi.org/10.1002/pca.3532","url":null,"abstract":"<p><strong>Introduction: </strong>Current standards for identifying the characteristics of Qingpi (QP) primarily depend on traditional empirical methods, which are both time-consuming and labor-intensive. Therefore, there is significant potential for developing a rapid and nondestructive identification method.</p><p><strong>Objective: </strong>This work aims to realize fast and effective identification of QP and its processed products, to provide a basis for quality assurance and monitoring of QP and its processed products, and to provide reference for guiding the practical work of traditional Chinese medicine (TCM) identification.</p><p><strong>Methods: </strong>In this study, we employed three advanced technologies-electronic eye (E-eye), fast gas chromatography electronic nose (Fast GC e-nose), and Fourier transform near-infrared (FT-NIR) spectroscopy-to analyze the color, odor, and absorbance of QP samples.</p><p><strong>Results: </strong>The E-eye digitized the appearance color of various QP samples, and subsequent discriminant analysis, combined with statistical methods, confirmed the feasibility of the discriminant function obtained. Additionally, the Fast GC e-nose provided valuable odor information, identifying 18 distinct odor components. Based on variable importance in projection (VIP) analysis, four components were hypothesized as potential odor markers for distinguishing QP raw products (SQP) from vinegar processed products (CQP). According to the accuracy of the support vector machine (SVM) classification model, the NIR preprocessing method is screened. Alongside SVM, three classification models are chosen for simultaneous evaluation and verification. Notably, the test set recognition rate for all four classification models reached 100%.</p><p><strong>Conclusion: </strong>E-eye, Fast GC e-nose, and NIR technology enable rapid, nondestructive identification and preliminary quality evaluation of QP products.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143731112","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":"Identification of Antibacterial Agents with a Synergistic Effect in Pteris vittata L. by Exploration of Metabolome Data and Multivariate Analysis.","authors":"Kieu-Oanh Nguyen Thi, Ngoc-Lien Nguyen, Khanh-Phuong Dang, Phuong-Nhung Nguyen, Huyen-Thu Nguyen Thi, Hoang-Nam Pham, Sylvie Nazaret, Marie-Geneviève Dijoux-Franca","doi":"10.1002/pca.3530","DOIUrl":"https://doi.org/10.1002/pca.3530","url":null,"abstract":"<p><strong>Introduction: </strong>In metalliferous ecosystems, bacteria could develop membrane efflux pumps to extrude heavy metals. Native plants, frequently exposed to such bacteria, may serve as rich chemical reservoirs for discovering potential antibacterial and/or resistance-modifying agents.</p><p><strong>Objectives: </strong>This study aims to investigate the antibacterial properties of Pteris vittata L., a metal hyperaccumulator abundant in metal-rich environments, against Stenotrophomonas maltophilia K279a, an opportunistic nosocomial pathogen linked to severe respiratory tract infections.</p><p><strong>Material and methods: </strong>A novel approach was used, employing the metabolome of P. vittata in a partial least squares regression model to predict the correlation between the whole chemical profile and activity. Marked compounds were then subjected to in vitro test for bactericidal and synergistic properties using broth dilution and time-kill assays.</p><p><strong>Results: </strong>The multivariate analysis demonstrated a strong synergistic effect among a range of flavonoids compared to the individual responses. Notably, nine flavonoids were confirmed to reduce the minimum inhibitory concentration and minimal bactericidal concentration values of active compounds, cyanidin-3,5-O-diglucoside and perlagonin, from 64.0 and 108 μg/mL to 0.25 and 3.38 μg/mL, respectively.</p><p><strong>Conclusion: </strong>These results provide insights into the possibility of combating clinical infections caused by S. maltophilia and highlight the potential of exploring new synergetic interactions among natural products as an alternative to the conventional bio-guided isolation strategy.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143649902","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 and Identification of the Chemical Constituents and the Metabolites of Geum japonicum Thunb. var. chinense F. Bolle.","authors":"Yang Yang, Tong Wu, Leilei Jiang, Lixia Wang, Xiaoxu Chen, Tianxin Zhang, Zhuju Wang, Ye Zhao, KaiYang Liu, Hongwei Wu, Liying Tang","doi":"10.1002/pca.3528","DOIUrl":"https://doi.org/10.1002/pca.3528","url":null,"abstract":"<p><strong>Introduction: </strong>Geum japonicum Thunb. var. chinense F. Bolle (GJ) holds significance as a traditional Miao medicine, one of China's ethnic minorities, extensively utilized in the clinical management of cardiovascular ailments. However, little attention has been directed toward the chemical constituents of GJ, as well as the metabolic and distribution of its chemical constituents in vivo.</p><p><strong>Objective: </strong>The objective of this study is to qualitatively analyze the chemical constituents of GJ, as well as their prototype components and metabolites in vivo.</p><p><strong>Methods: </strong>We established a reliable method using ultra-high-performance liquid chromatography coupled with quadrupole Exactive Orbitrap mass spectrometry (UHPLC-Q-Exactive Orbitrap-MS) to conduct a comprehensive analysis of GJ as well as systematically to screen the prototype and metabolite constituents in rat plasma, urine, feces, brain, heart, liver, spleen, and kidney after gastric perfusion.</p><p><strong>Results: </strong>A total of 94 compounds were identified or tentatively characterized in GJ. Moreover, a total of 75 in vivo components were identified from the plasma, urine, feces, brain, heart, liver, spleen, and kidney of rats gavaged with 500 mg/kg of GJ extract, including 19 prototype components and 56 metabolites. The metabolic pathways, including Phase I reactions and Phase II reactions, for the absorbed constituents, were explored and summarized. Moreover, the metabolic pathways of GJ were proposed, which shed light on their mechanism.</p><p><strong>Conclusion: </strong>This is the first systematic study on the components of GJ and their metabolites in vivo and in vitro. The metabolite distribution and metabolic pathways of GJ in vivo were further proposed.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143625629","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":"Efficient Extraction, Chemical Characterization, and Bioactivity of Essential Oil From Pine Needles.","authors":"Zhengyun Liang, Jiamin Yan, Sidan Zhao, Lingxiao He, Xinxu Zhao, Lingchao Cai, Chaoqun You, Fei Wang","doi":"10.1002/pca.3529","DOIUrl":"https://doi.org/10.1002/pca.3529","url":null,"abstract":"<p><strong>Introduction: </strong>Pine needles are a rich source of bioactive compounds, and there are few reports on the extraction and identification of active substances in various types of pine needles.</p><p><strong>Objectives: </strong>The objective of this study is to enhance the efficiency and yield of pine needle essential oil extraction by employing an innovative ultrasonic-assisted salt-out hydrodistillation technology. It also aims to establish a correlation between gas chromatography-mass spectrometry (GC-MS) and electronic nose (E-nose) to distinguish essential oils from Cedrus deodara, Pinus thunbergii, Pinus massoniana, and Pinus koraiensis.</p><p><strong>Methods: </strong>Optimal extraction conditions will be determined through dynamic curve fitting and response surface analysis. Essential oils will be analyzed by E-nose and GC-MS coupled with chemometrics. Radical-scavenging effects on ·OH, DPPH·, ABTS⁺ radicals, and antibacterial activity against Escherichia coli and Staphylococcus aureus will be evaluated.</p><p><strong>Results: </strong>Optimal extraction conditions were 100 min of distillation, 7.762% sodium chloride, 9.596-mL/g liquid material ratio, and 170.155-W ultrasonic power. Essential oil yields were 0.144%, 0.214%, 0.425%, and 0.852% for C. deodara, P. thunbergii, P. massoniana, and P. koraiensis, respectively. GC-MS identified 74 volatile components. PLS-DA revealed nine key compounds, including α-Myrcene, α-Pinene, α-Phellandrene, Limonene, Caryophyllene, Bornyl acetate, β-Pinene, Germacrene D, and Camphene. PCA of E-nose and GC-MS data highlighted sample differences. All essential oils exhibited antioxidant and antibacterial activities, linked to α-pinene, β-Pinene, and Germacrene D.</p><p><strong>Conclusion: </strong>This study introduces efficient methods for efficient extraction and characterization of pine needle essential oils, providing a foundation for bioactive applications and enhancing product quality and global innovation in the industry.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143616787","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 Recognition and Spectrum-Effect Relationship of UPLC-MS Chromatograms With Anti-Complementary and Antioxidant Activities of Myricariae Ramulus.","authors":"Mengyao Zhang, Deji, Daofeng Chen, Yan Lu","doi":"10.1002/pca.3527","DOIUrl":"https://doi.org/10.1002/pca.3527","url":null,"abstract":"<p><strong>Introduction: </strong>Myricariae Ramulus (MR) is a traditional anti-inflammatory Tibetan medicine derived from the branches and leafy twigs of various Myricaria plants, such as Myricaria wardii Marquand.</p><p><strong>Objective: </strong>This study performed spectrum-effect analyses on 15 batches of MR, sourced from various origins and medicinal parts, to identify quality markers associated with its anti-inflammatory effects.</p><p><strong>Materials and methods: </strong>The anti-inflammatory effects of different extracts and fractions from M. wardii were evaluated in lipopolysaccharide-infected mice. Further analysis was conducted utilizing UPLC-Q-TOF-MS/MS in the negative ion mode to recognize the compound composition of ethyl acetate (EA) fractions from the branches and leafy twigs of M. wardii. Subsequently, anti-complementary and antioxidant activities were conducted via the hemolysis and ABTS radical scavenging methods, and UPLC chromatograms for 15 batches of samples were established. Finally, spectrum-effect analysis was performed by gray relational analysis and partial least squares regression to identify the quality markers.</p><p><strong>Results: </strong>The EA fraction effectively alleviated inflammatory responses by regulating IL-6 and myeloperoxidase. A total of 46 compounds from M. wardii were recognized, which mainly encompass gallic derivatives, phenolic amides, flavonoids, and terpenoids. Activity assays demonstrated that the two activities of leafy twigs were significantly stronger than those of branches. Moreover, an obvious distinction in chemical composition between the two parts was observed. Combining the spectrum-effect analysis results, methyl 3,4-dihydroxy-5-methoxybenzoate, myricarin A, protocatechualdehyde, and N-feruloyl normetanephrine from the branches, and protocatechuic acid from the leafy twigs were considered quality markers.</p><p><strong>Conclusion: </strong>These results provide insights into improving the quality control of MR.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143606165","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 Control Strategies for Differentiation of Kalanchoe Species.","authors":"Evelyn A de Andrade, Isadora Machinski, Valter P de Almeida, Sarah A Barr, Wilmer H Perera, Jane Manfron, Flávio L Beltrame, R Thomas Williamson, Wendy K Strangman","doi":"10.1002/pca.3525","DOIUrl":"https://doi.org/10.1002/pca.3525","url":null,"abstract":"<p><p>Kalanchoe species products are commercially available in local markets and by internationally accessible online retailers and may exhibit quality issues because of misidentification from similar common names and anatomical similarities among related species used as feedstock. This study proposes an approach using UPLC-MS/MS^E and HPTLC, coupled with morphoanatomical analysis to establish chemical composition pattern data for five Kalanchoe species. Subsequently, the methods were validated by analyzing commercial products purported to contain 100% Kalanchoe extract. UPLC-MS/MS^E and HPTLC profiles demonstrated that quercetin and kaempferol derivatives were identified as the primary flavonoids in genuine plant extracts. Chemometric analysis showed clear differences in chemical profiles and no similarities between the Kalanchoe plant extracts and commercial products. Different patterns of anticlinal epidermal cell walls and midrib of the leaves and shape and arrangement of the vascular bundles in the petiole were the primary micro-morphological differences observed. Evaluation of commercial samples revealed that products labeled as containing Kalanchoe did not match the pharmacobotanical analysis nor the chemical composition of the species. These methods can be considered important tools for quality control in commercial products derived from Kalanchoe species.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143606167","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 Validated GC-MS Method for Major Terpenes Quantification in Hydrodistilled Cannabis sativa Essential oil.","authors":"Noelle Joy, Daniel Jackson, Timothy Coolong","doi":"10.1002/pca.3526","DOIUrl":"https://doi.org/10.1002/pca.3526","url":null,"abstract":"<p><strong>Introduction: </strong>Terpenes, which are found in high concentrations in the essential oil fraction of the Cannabis sativa flower, have demonstrated potential in many therapeutic and industrial applications.</p><p><strong>Objectives: </strong>This work reports on a method developed for quantifying 18 terpenes in C. sativa essential oil obtained through hydrodistillation. The following method has been evaluated for specificity, selectivity, accuracy, linearity, precision, stability, limit of detection, and limit of quantification.</p><p><strong>Materials and methods: </strong>Samples were prepared by separating the essential oil fraction through hydrodistillation and then diluting with ethyl acetate containing a 100 μg/mL solution of n-tridecane and octadecane as internal standards. Analysis was performed on a gas chromatograph mass spectrometer (GCMS) using selected ion monitoring (SIM).</p><p><strong>Results: </strong>The developed method enabled quantification of isomers of nerolidol and ocimene and several coeluting compounds, with recoveries of 87.35%-116.61%. Two cultivars of C. sativa flower were evaluated, and the dominant terpene compounds in both cultivars were β-myrcene (5.85-8.62 mg/g dried plant) and β-caryophyllene (3.89-4.69 mg/g), followed by α-humulene (1.35-1.99 mg/g), limonene (0.91-1.33 mg/g), and α-bisabolol (0.66-0.68 mg/g).</p><p><strong>Conclusion: </strong>This method provides an accurate and reliable procedure for separating and quantifying the major terpene compounds in C. sativa flower using hydrodistillation and GCMS with SIM. The simplicity and solvent-free nature of the hydrodistillation extraction, combined with the specificity and accuracy of using SIM and external standards, enables the determination of total and individual terpenes concentrations within plant material and supports numerous industrial and therapeutic applications.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143557423","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 Grading Evaluation of Changii Radix Based on a Biology-Related Chemical Indicator Prediction Model.","authors":"Ke Liu, Chun-Lu Liu, Long Wang, Ping Li, Yan Jiang, Hui-Jun Li","doi":"10.1002/pca.3524","DOIUrl":"https://doi.org/10.1002/pca.3524","url":null,"abstract":"<p><strong>Introduction: </strong>The quality of traditional Chinese medicine (TCM) is a prerequisite for clinical efficacy. However, the existing quality evaluation methods are not strongly correlated with efficacy, and they are unable to adequately reflect the quality grade of Changii Radix (CR).</p><p><strong>Objectives: </strong>In this study, a biology-related chemical indicator quality grading prediction model was developed to predict the quality grade of CR.</p><p><strong>Materials and methods: </strong>Firstly, the quality grade of CR was pre-classified based on immunological activity. Subsequently, one-way analysis of variance, gray correlation analysis, and Pearson correlation analysis were employed to identify the chemical indicators associated with immunological activity. Finally, separately using chemical indicators as independent variables and quality grades as dependent variables, the logistic regression model and a multi-index weighted quality comprehensive evaluation index (QCEI) were constructed to predict the quality grade of CR.</p><p><strong>Results: </strong>The results indicated that 27 batches of CR samples could be divided into three grades of I, II, and III. The gray correlation degrees and Pearson correlation coefficients between water-soluble extractives, polysaccharide, amino acid, and immunological activity all exceeded 0.8 and 0.4 (p < 0.05), respectively. Additionally, both the logistic regression model and QCEI could effectively predict the quality grade of CR, with the logistic regression model showing superior performance.</p><p><strong>Conclusion: </strong>This study is the first to establish a chemistry-biology integrated strategy for evaluating the quality grade of CR, providing a novel insight into the assessment of TCM quality grade.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":""},"PeriodicalIF":3.0,"publicationDate":"2025-03-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143542782","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}