Phytochemical Analysis最新文献

{"title":"Harnessing Molecular and Bioactivity Network Analysis to Prioritize Antibacterial Compound Isolation From Ant-Associated Fungi.","authors":"Ángel S Aguilar-Colorado, Jesús Morales-Jiménez, José Rivera-Chávez","doi":"10.1002/pca.3513","DOIUrl":"10.1002/pca.3513","url":null,"abstract":"<p><strong>Introduction: </strong>Antimicrobial resistance is a global public health problem that requires the development of new bioactive compounds. In this context, metabolomic analyses can expedite the research of fungal metabolites as a valuable resource.</p><p><strong>Objectives: </strong>To investigate the metabolic profiles and isolate antibacterial compounds from micromycetes associated with Mexican cloud forest ants by utilizing network analysis of their chemical and bioactivity data.</p><p><strong>Material and methods: </strong>248 fungal strains isolated from six ant's species, soil of their anthills, and soil of the surroundings were evaluated for their in vitro inhibition growth of extensively drug-resistant Acinetobacter baumannii and hypervirulent Klebsiella pneumoniae; subsequently, their metabolites were dereplicated and analyzed by molecular networking and compound activity mapping from spectrometric data. Prioritization of some fungi for isolation of their major constituents was performed, and their structures were established by spectroscopic and spectrometric analysis and their bioactivity determined.</p><p><strong>Results: </strong>From the fungal collection, 15 secondary metabolites (1-15) were dereplicated, and 10 compounds (16-25), including the new (E)-tridec-7-ene-3,5,6,10-tetraol (25), were isolated from Ascomycetes of Trichoderma, Cladosporium, and Clonostachys genera. Compounds 16-18 stood out for being bioactive. This study is the first report of antibacterial activity against A. baumannii for the tricyclic pyridin-2-ones deoxy-PF1140 (16) and PF1140 (17), with minimum inhibitory concentration of 50 μg/mL.</p><p><strong>Conclusion: </strong>Network analysis and dereplication proved effective in bioprospecting for antibacterial compounds, offering valuable insights into the chemical diversity of cloud forest soil fungi and their potential applications. Moreover, this study broadens the knowledge of fungal secondary metabolites linked to leafcutter, fire, and warrior ants.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1351-1366"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12212023/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143067303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"生物学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Comprehensive Quality Evaluation and Botanical Differentiation of Typhae Pollen Using UHPLC-DAD/Q-TOF-MS and Multivariate Chemometric Analysis.","authors":"Fang Tian, Ying Zhang, Lixia Chen, Jieyi Wu, Hui Cao, Menghua Wu, Zhiguo Ma","doi":"10.1002/pca.3519","DOIUrl":"10.1002/pca.3519","url":null,"abstract":"<p><strong>Introduction: </strong>In China, Typhae Pollen (TP) has been extensively utilized as a medicinal product, which is the dried pollen from the male inflorescences of Typha angustifolia L. (TA), Typha orientalis Presl (TO), or species within the same genus. However, existing methods for differentiating the botanical origin and controlling the quality of TP are confusing, unreliable, and unsystematic.</p><p><strong>Objectives: </strong>This study aims to elucidate the microstructural similarities and differences between pollen grains of the two species and to develop a comprehensive method for the qualitative and quantitative analysis of multiple flavonoids and phenolic acids in TP.</p><p><strong>Methodology: </strong>Scanning electron microscopy (SEM) was employed to examine the dried pollen grains. A comprehensive analytical approach was developed using ultra-high performance liquid chromatography with diode array detection and quadrupole-time-of-flight mass spectrometry to quantitatively and qualitatively analyze 17 flavonoids and phenolic acids. Discrepancies in constituents were further explored using partial least squares discrimination analysis and hierarchical clustering analysis.</p><p><strong>Results: </strong>Microscopic examination revealed distinct differences between the pollen grains of the two species, which could be distinguished using SEM. The analytical methods established for these 17 constituents-comprising 13 flavonoids and 4 phenolic acids-proved reliable and accurate. The flavonoid glycosides in TP could be categorized into three distinct groups. In TA, the average contents of constituents 1, 2, 3, 4, 8, and 12 were higher than in TO, whereas the reverse was true for constituents 7, 14, 16, and 17. Constituents 9, 10, and 13 were unique to TO. And constituent 14 should be chosen as a more appropriate quality indicator for TO. Chemometric techniques effectively differentiated between TA and TO.</p><p><strong>Conclusions: </strong>This study contributes to enhancing quality control and facilitating botanical origin identification of TP and provides an experimental foundation for improving its standards.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1435-1449"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143468819","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":"Metabolomics Analysis of Urine and 16S rRNA Sequencing of Gut Microbiota in Rats With Blood Stasis Syndrome After Intervention With Danggui-Guizhi Decoction and Dispensing Granules.","authors":"Jiwei Yu, Qianyi Wang, Yunyuan Nong, Linlin Feng, Shulin Huang, Zhiheng Su","doi":"10.1002/pca.3518","DOIUrl":"10.1002/pca.3518","url":null,"abstract":"<p><strong>Introduction: </strong>Blood stasis syndrome (BSS) is one of the common syndromes in traditional Chinese medicine. The Chinese medicine compound composed of \"Danggui-Guizhi (DG-GZ)\"as the core has the effect of reducing blood stasis and promoting blood circulation. However, the difference of efficacy of DG-GZ traditional decoction and dispensing granules in reducing blood stasis are still unclear.</p><p><strong>Objective: </strong>Investigation of the difference of decoction and dispensing granules of Danggui (DG) and Guizhi (GZ) in blood stasis syndrome (BSS) in an animal study (Six groups, n = 6).</p><p><strong>Methodology: </strong>All rats were randomly divided into six groups: control, model, Danggui-Guizhi dispensed granules ( DGK-GZK), Danggui-Guizhi decoction (DG-GZ), Danggui granules-Guizhi decoction (DGK-GZ), and Danggui decoction -Guizhi granules (DG-GZK) groups (n = 6). The blood stasis model was constructed by exposing rats to ice-cold water. Whole blood viscosity (WBV) was used to compare the effects of DG-GZ (4:3 w/w) decoction and dispensing granules in improving BSS. Metabolomics analysis of urine and 16S rRNA gene sequencing were used to investigate metabolic analysis and gut microbiota changes in rats with BSS.</p><p><strong>Results: </strong>The results of WBV showed that DG-GZ and its granules exhibited efficacy against blood stasis, and the effect of DGK-GZK in relieving blood stasis was greater than that of other administration groups. Urine metabolomics demonstrated that DGK-GZK could reverse the abnormal levels of butyrate, citrate, taurine, creatinine, glucose, and other metabolites in BSS rats. DGK-GZK could promote the enrichment of the g__Prevotellaceae_NK3B31_group, g__Ligilactobacillus, and g__Roseburia.</p><p><strong>Conclusions: </strong>The effect of DGK-GZK intervention in BSS was stronger than that of other compound groups. This study also provides basic experimental data for exploring the difference in efficacy between traditional decoction and dispensing granules.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1416-1434"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143483858","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 Metabolomic and Bioactivity Profiling of Zingiberaceae Species From Manipur: Elucidating Antidiabetic and Antioxidant Mechanisms Through In Vitro and In Silico Approaches.","authors":"Khaidem Kennedy Singh, Huidrom Abesana Mangang, Oinam Kelo Singh, Ojit Singh Keithellakpam, Pardeep Kumar Bhardwaj, Pulok K Mukherjee, Nanaocha Sharma","doi":"10.1002/pca.3517","DOIUrl":"10.1002/pca.3517","url":null,"abstract":"<p><strong>Introduction: </strong>The Zingiberaceae family is well known for its therapeutic characteristics, notably its antidiabetic and antioxidant potential, which may be linked to its diverse bioactive metabolite composition. Despite widespread usage in traditional medicine, there has been little research on the chemical composition and biological activity of Zingiberaceae plants from Manipur, India.</p><p><strong>Objective: </strong>This study aims to comprehensively profile metabolites and evaluate the antidiabetic and antioxidant properties of seven Zingiberaceae species through in vitro assays and in silico molecular docking analysis.</p><p><strong>Methods: </strong>Hydroalcoholic extracts of Curcuma caesia, Kaempferia parviflora, Curcuma zedoaria, Zingiber officinale, Curcuma angustifolia, Curcuma aromatica, and Curcuma longa were examined. TPC and TFC were measured using Folin-Ciocalteu and Aluminum chloride colorimetry. Antidiabetic efficacy was assessed by α-glucosidase and α-amylase inhibition tests. DPPH and ABTS tests measured antioxidant activity. GC-MS was used for metabolite profiling, and molecular docking was used to explore bioactive compound-antidiabetic protein interactions (3L4Y, 5UBA, NOX1).</p><p><strong>Results: </strong>C. caesia showed the highest TPC (85.41 GAE mg/g) and TFC (126.15 QE mg/g). Z. officinale, C. angustifolia, and K. parviflora exhibited significant α-glucosidase (74%-80%) and α-amylase (62%-73%) inhibition, surpassing acarbose. Strong antioxidant activity was observed, especially in C. caesia and Z. officinale. GC-MS identified 61 bioactive compounds, with molecular docking showing strong interactions of gingerol and zederone with 3L4Y and 5UBA, and germacrone and β-sesquiphellandrene with NOX1.</p><p><strong>Conclusions: </strong>Seven Zingiberaceae species from Manipur exhibit notable antidiabetic and antioxidant potential, with C. caesia and Z. officinale showing superior efficacy. Key bioactives like gingerol, zederone, germacrone, and β-sesquiphellandrene demonstrated strong therapeutic target interactions, supporting their pharmacological potential.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1396-1415"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143492775","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":"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":"1580-1595"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","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":"A Comprehensive Quality Evaluation Strategy of Wendan Decoction Based on Qualitative, Fingerprint, and Quantitative Analyses.","authors":"Chen Huang, Shibin Chen, Yumeng Zhang, Yanxue Xu, Chunjie Zhao, Min Zhao","doi":"10.1002/pca.3515","DOIUrl":"10.1002/pca.3515","url":null,"abstract":"<p><strong>Introduction: </strong>Wendan decoction (WDD), a classic Chinese medicine formula, has been used for the treatment of insomnia for hundreds of years. However, the current research on the chemical composition and the material basis of the medicinal effect of WDD is not perfect, which limits further research on it.</p><p><strong>Objectives: </strong>In the present study, we aimed to propose a methodology for the quality control of WDD based on qualitative and quantitative analysis of its components.</p><p><strong>Methods: </strong>The chemical composition of WDD was identified through UPLC-Q-Exactive Orbitrap MS technology. Then, high-performance liquid chromatography was utilized to establish the fingerprint of 10 batches of WDD and determine the content of some common peaks. The quality evaluation and quality control of WDD were implemented from three aspects: chemical composition, fingerprint, and content determination.</p><p><strong>Results: </strong>The study initially identified 113 chemical components, including 51 flavonoids, 13 amino acids, seven nucleotides, five alkaloids, eight phenylpropanoids, eight terpenoids, 12 organic acids, and nine other compounds. In this study, the fingerprint of WDD was established by HPLC, and a total of 23 common peaks were found and seven common peaks were determined. The similarity (R) between 10 batches of WDD fingerprints and reference fingerprints was greater than 0.993. The results of methodological verification met the requirements.</p><p><strong>Conclusion: </strong>Based on the three dimensions of qualitative analysis, fingerprint, and content determination, this study explored the quality control of WDD and selected seven flavonoids as quality evaluation indexes of WDD, thus laying a solid foundation for subsequent pharmacodynamic research.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1377-1395"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143441563","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":"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":"1539-1559"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","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":"Green Sensor Technology: Quantitation of Carbidopa and Eltrombopag Using Date Kernel-Derived Carbon Dots.","authors":"Rana Ghonim, Amira F El-Yazbi, Heba Elmansi, Hadir M Maher, Fathalla Belal","doi":"10.1002/pca.3521","DOIUrl":"10.1002/pca.3521","url":null,"abstract":"<p><strong>Introduction: </strong>In this work, we developed a novel sensing technique based on food in edible \"waste\" recycling approach. The eco-friendly and rapid strategy is based on microwave pyrolysis bottom-up technique for date kernels (DK) and thiourea, resulting in the formation of sensor probe based on carbon dots (CDs) for quantification of carbidopa (CAR) and eltrombopag (ELT).</p><p><strong>Objectives: </strong>Discriminatory switch-off fluorescent nanosensors were utilized for the quantitation of two frequently administered drugs: CAR and ELT in nano dimension levels.</p><p><strong>Material and methods: </strong>Versatile spectroscopic techniques were used for characterization. Spectrofluorimetric quenching approach is applied for this study. The interference likely to be introduced from other drugs was studied. The analytical greenness for sample preparation (AGREE prep) and complex green analytical procedure index (complex GAPI) metric tools were applied to evaluate the developed approach environmental impact.</p><p><strong>Results: </strong>Both CAR and ELT exhibited static quenching to the sulfur and nitrogen date kernels carbon dots (S, NDKCDs) with high quantum yield of 53% with λex of 330 nm and λem at 410 nm over the ranges of 50.0-600.0 ng/mL and 100.0-1000.0 ng/mL, independently with high %Recovery from 98.5 to 102, low relative standard deviation (RSD) < 2%.</p><p><strong>Conclusion: </strong>The developed method was validated in adherence to the ICH Q2(R1) guidelines. The synthesized carbon nanodots were exploited for the quantitation of each of CAR and ELT in their pure forms, pharmaceutical preparations, and human plasma samples with outstanding greenness metrices.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1464-1479"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143493168","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":"DOSY-Assisted Multicomponent Characterization Enables Classification of Precious Chinese Materia Medica and Identification of Adulteration: A Case Study of Calculus Bovis.","authors":"Shanghong Li, Cuifen Fang, Sinan Wang, Hsiuting Chang, Cheng Zheng, Yi Wang, Yu Tang","doi":"10.1002/pca.3522","DOIUrl":"10.1002/pca.3522","url":null,"abstract":"<p><strong>Introduction: </strong>Despite significant advances in analytical methods, the quality evaluation and adulteration detection of chemically complex traditional Chinese medicines continues to be a major challenge.</p><p><strong>Objectives: </strong>We developed a custom diffusion-ordered spectroscopy (DOSY) approach for the qualitative analysis of precious Calculus Bovis (CB) and detection of its adulterants.</p><p><strong>Methods: </strong>Using Artificial Calculus Bovis as an example, we focused on the effects of NMR spectrometers, solvent viscosity, matrices, matrix concentration, and temperature on separation efficiency of DOSY. The optimal conditions also successfully applied for the identification of Natural Calculus Bovis, Calculus Bovis Sativus, and adulterated samples. The accuracy of DOSY was verified by ¹³C NMR.</p><p><strong>Results: </strong>Via inspection of NMR spectrometers, solvents, matrices, matrix concentration, and temperature, the optimal conditions for DOSY experiments of CB were found to be using methanol-d₄ as the solvent, adding 4 mg of polyvinyl pyrrolidone (PVP) as the matrix, and a temperature of 298 K. Under these conditions, five types of compounds, cholic acid (CA), deoxycholic acid (DCA), hyodeoxycholic acid (HDCA), taurine-conjugated bile acids (tBAs), and glycine-conjugated bile acids (gBAs), were unequivocally identified in three types of CB. ¹³C NMR validated the accuracy of the DOSY results. As for the sugar-adulterated CB, the signals of sugar could be clearly identified on the DOSY spectrum.</p><p><strong>Conclusions: </strong>This study verified the feasibility of DOSY for the quality evaluation of CB and provided a reference point for future qualitative and quantitative analysis of other complex traditional Chinese medicines, as well as the characterization of adulterated samples.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1480-1489"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143543129","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":"Fates of Diterpene Lactones in Storage Andrographis paniculata Extracts.","authors":"Thiwa Rattanaya, Chusanajit Chuangrattanawan, Krongkarn Chootip, Dumrongsak Pekthong, Anuchit Plubrukarn","doi":"10.1002/pca.3514","DOIUrl":"10.1002/pca.3514","url":null,"abstract":"<p><strong>Introduction: </strong>Diterpene lactones in Andrographis paniculata are essential bioactive compounds that contribute to the herb's medicinal properties. The main diterpene lactones in A. paniculata are andrographolide and its derivatives. Spontaneous degradation of the diterpene leads to a short-term stability and casts a significant problem in storage and distribution of A. paniculata raw materials and products.</p><p><strong>Objective: </strong>To determine the stability of diterpene lactones in A. paniculata extracts and their transformation dynamics.</p><p><strong>Materials and methods: </strong>A ¹H NMR-based metabolomics workflow and HPLC-based quantitative determination were used to map the stability profiles in A. paniculata extract stored in the standard storage conditions over a 6-month period.</p><p><strong>Results: </strong>Qualitatively, NMR-based PCA detected both descending and ascending dynamics in transformation of diterpene lactones in A. paniculata extracts over a 6-month storage period. The contents of five lactone markers, compounds 1-5, in storage A. paniculata extracts were monitored to show that compounds 1 and 5 degraded with decelatory rates and presumably transformed via dehydration into compound 3, which otherwise increased also in a coherently decelatory manner. Lacking of the labile allylic hydroxyl group, compounds 2 and 4 were more stable and remained unchanged throughout the storage period.</p><p><strong>Conclusion: </strong>The short-term stability of A. paniculata extracts and related products was primarily attributed to the dehydration of 1 and it allylic hydroxy analogs, for example, 5, into a diene as in 3. Compound 3 is hence recommended as a plausible candidate as the stability and age marker of A. paniculata raw materials and products.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1367-1376"},"PeriodicalIF":3.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143399631","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}