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HPLC/ESI-QTOF-MS/MS based untargeted metabolomics authentication of Taxus × media six tissues. 基于 HPLC/ESI-QTOF-MS/MS 的 Taxus × media 六种组织的非靶向代谢组学鉴定。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-13 DOI: 10.1002/pca.3403
Hangyu Bai, Dengwu Li

Introduction: Taxus media (Taxus × media Rehder) is renowned for its high paclitaxel content, serving as a major source for industrial paclitaxel production. In addition to paclitaxel, T. media contains a diverse range of metabolites, including flavonoids, alkaloids, and terpenoids, which have been shown to possess antioxidant, antibacterial, anti-inflammatory, and immunomodulatory effects. However, these compounds have not been thoroughly studied as key metabolites in T. media.

Objective: The untargeted metabolomics analysis of six T. media tissues provides new insights into the development and utilization of T. media metabolites.

Method: The extracts from six tissues of T. media were analyzed and subjected to analysis using high-performance liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS/MS) and chemometric techniques.

Results: Using a reliable HPLC-Q-TOF-MS/MS method, we identified 312 compounds in six T. media tissues, including 214 previously unreported in T. media. To identify characteristic compounds across different tissues, 34 metabolites were further screened. KEGG metabolic pathway analysis revealed that these compounds primarily occur in the metabolic pathways of terpene glycosides, flavans, and O-methylated flavonoids.

Conclusion: This study initially utilized an HPLC-QTOF-MS/MS-based metabolomics approach to assess the metabolites in different tissues of T. media, providing a basis for their utilization and management.

简介:紫杉介质(Taxus × media Rehder)以紫杉醇含量高而闻名,是工业化生产紫杉醇的主要来源。除紫杉醇外,紫杉介质还含有多种代谢产物,包括类黄酮、生物碱和萜类化合物,已被证明具有抗氧化、抗菌、消炎和免疫调节作用。然而,这些化合物作为 T. media 的关键代谢物尚未得到深入研究:对六种介壳虫组织的非靶向代谢组学分析为介壳虫代谢物的开发和利用提供了新的见解:方法:采用高效液相色谱-四极杆飞行时间质谱(HPLC-Q-TOF-MS/MS)和化学计量学技术对 T. media 六种组织的提取物进行分析:结果:利用可靠的 HPLC-Q-TOF-MS/MS 方法,我们在六种介壳虫组织中鉴定出 312 种化合物,其中包括 214 种以前未在介壳虫中报道过的化合物。为了确定不同组织中的特征化合物,我们进一步筛选了 34 种代谢物。KEGG 代谢途径分析表明,这些化合物主要出现在萜烯糖苷、黄烷和 O-甲基化类黄酮的代谢途径中:本研究利用基于 HPLC-QTOF-MS/MS 的代谢组学方法初步评估了介壳虫不同组织中的代谢物,为介壳虫的利用和管理提供了依据。
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引用次数: 0
Relationship between secondary metabolites and insect loads in cabbage with different leaf shapes and positions. 不同叶片形状和位置的卷心菜次生代谢物与昆虫数量的关系
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-25 DOI: 10.1002/pca.3406
Samreen Ghulam Rasool, Muhammad Abdullah, Dezhi Li, Liu Yanping

Introduction: Secondary metabolites in plants play a crucial role in defense mechanisms against insects, pests, and pathogens. These metabolites exhibit varying distributions within and among plant parts under different biotic and abiotic conditions. Understanding the intricate relationships between secondary metabolites and insect populations can be helpful for elucidating plant defense mechanisms and enhancing agricultural managing efficiencies.

Objective: To investigate the influence of the glucosinolate profile in the leaves of three cabbage (Brassica oleracea var. capitata L.) varieties on insect loads.

Methods: Glucosinolate profiles across different leaf positions (such as bottom, middle, and center) and leaf shapes (such as curly and non-curly leaf) of three cabbage varieties (Xiagan [XGA], Xiaguang [XGU], and Qiangxia [QIX]) were analyzed by using high-performance liquid chromatography-mass spectrometry (LC-MS). The insect loads were recorded by visually inspecting the upper and lower layers of each target leaf.

Results: Increasing concentrations of four glucosinolates, namely, glucoiberin, progoitrin, glucoraphanin, and glucobrassicin, were positively related to insect loads. While increasing concentrations of the other four glucosinolates, such as neoglucobrassicin, 4-methoxyglucobrassicin, sinigrin, and gluconapin, were negatively related to insect loads. Furthermore, both glucosinolate synthesis and insect loads were significantly higher in the curly-shaped and middle-position leaves than in the non-curly-shaped and bottom- and central-position leaves across the cabbage varieties.

Conclusion: Differences in glucosinolate profiles across leaf positions and shapes strongly influenced the insect loads of the three Brassica varieties. This link may further extend our understanding of the real defense power of a particular variety against herbivore damage.

导言:植物中的次生代谢物在抵御昆虫、害虫和病原体的防御机制中发挥着至关重要的作用。在不同的生物和非生物条件下,这些代谢物在植物各部分内部和之间的分布各不相同。了解次生代谢物与昆虫种群之间错综复杂的关系有助于阐明植物防御机制和提高农业管理效率:研究三个甘蓝(Brassica oleracea var. capitata L.)品种叶片中葡萄糖苷酸含量对昆虫数量的影响:方法:采用高效液相色谱-质谱法(LC-MS)分析了三个甘蓝品种(厦甘[XGA]、厦光[XGU]和羌峡[QIX])不同叶片位置(如底部、中部和中央)和叶片形状(如卷曲叶和非卷曲叶)的葡萄糖苷酸谱。通过目测每片目标叶片的上下层来记录昆虫数量:结果:四种葡萄糖苷酸盐(即葡萄糖纤维素、原果糖苷、葡萄糖萘苷和葡萄糖巴西苷)浓度的增加与虫量呈正相关。而其他四种葡萄糖苷酸盐(如新葡萄糖苷、4-甲氧基葡萄糖苷、山奈苷和葡萄糖苷)浓度的增加与昆虫数量呈负相关。此外,在不同卷心菜品种中,卷曲叶片和中间位置叶片的葡糖苷酸合成量和虫量都明显高于非卷曲叶片和底部及中央位置叶片:结论:不同叶片位置和形状的葡萄糖苷酸含量差异对三个甘蓝品种的虫量有很大影响。这一联系可进一步加深我们对特定品种抵御食草动物危害的实际防御能力的了解。
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引用次数: 0
Stability study of Nepeta cataria iridoids analyzed by LC/MS. 通过 LC/MS 分析的尼泊尔鸢尾属植物的稳定性研究。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-08-04 DOI: 10.1002/pca.3410
Anthony Lockhart, James Edward Simon, Qingli Wu

Introduction: Catnip (Nepeta cataria, L.) has well-documented applications in arthropod repellency because of its bioactive iridoids. Long-term stability of nepetalactones and other iridoids in N. cataria are needed to develop as effective pest repellents.

Objectives: The present work intends to measure iridoid concentration over time in biomass, plant extracts, and extract solution while identifying degradative byproducts under different storage conditions.

Methodology: Samples of desiccated biomass, ethanol extract, and extract in ethanol solution were stored in ambient light or darkness. Through UHPLC-QTOF/MS or UHPLC-QQQ/MS, the concentration of Z,E-nepetalactone, E,Z-nepetalactone, nepetalic acid, and dihydronepetalactone were examined over 2 years and statistically analyzed for determination of best storage practices. Degradation kinetics were applied to each analyte using graphical estimation. With targeted formula searching, degradative byproducts were identified and quantified.

Results: Light exposure caused significant decreases in E,Z-nepetalactone concentration in all sample types, while having no effect on Z,E-nepetalactone as it decayed more rapidly. Extract samples lost nepetalactone content faster than biomass or extract solution. Dihydronepetalactone levels were low, but never declined over 2 years. Nepetalic acid increased over some periods, depending on sample type, indicating a relationship between the acid and nepetalactone. Four degradative byproducts-nepetonic acid, dehydronepetalactone, an anhydride, and an ethanolic ester-were identified, with variable responses to light exposure.

Conclusions: Protecting catnip products from light is necessary to preserve nepetalactones, and a discernable difference in nepetalactone isomer stability was discovered. Identifying Nepeta chemotypes rich in dihydronepetalactone may provide more resilient botanicals as starting materials for processing.

简介:猫薄荷(Nepeta cataria,L.)因其生物活性虹彩类物质而在驱避节肢动物方面有着广泛的应用。要将猫薄荷开发成有效的害虫驱避剂,就需要猫薄荷中的肾上腺内酯和其他类鸢尾酮的长期稳定性:本研究旨在测量生物质、植物萃取物和萃取物溶液中的鸢尾酮浓度,同时确定在不同储存条件下的降解副产物:方法:将干燥生物质、乙醇提取物和乙醇提取物溶液样品储存在环境光照或黑暗条件下。通过 UHPLC-QTOF/MS 或 UHPLC-QQQ/MS 检测 Z,E-epetalactone、E,Z-epetalactone、nepetalic acid 和 dihydronepetalactone 在两年内的浓度,并进行统计分析,以确定最佳储存方法。采用图形估算法对每种分析物进行降解动力学分析。通过有针对性的配方搜索,对降解副产物进行了鉴定和量化:光照导致所有类型样品中的 E、Z-庚内酯浓度明显下降,而对 Z、E-庚内酯没有影响,因为它的降解速度更快。与生物质或提取物溶液相比,提取物样品中的庚内酯含量损失更快。二氢西内酯含量较低,但在两年内从未下降。内皮醛酸在某些时期有所增加,具体取决于样品类型,这表明酸与内皮内酯之间存在某种关系。研究发现了四种降解副产品--内皮醛酸、脱水西番莲内酯、酸酐和乙醇酯,它们对光照的反应各不相同:结论:保护猫薄荷产品不受光照影响是保存肾上腺素内酯的必要条件,而且发现了肾上腺素内酯异构体稳定性的明显差异。鉴别出富含二氢猫薄荷内酯的猫薄荷化学型可能会为加工提供更有弹性的植物起始材料。
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引用次数: 0
Rapid and comprehensive quality evaluation of Huang-qin from different origins by FT-IR and NIR spectroscopy combined with chemometrics. 利用傅立叶变换红外光谱、近红外光谱和化学计量学对不同产地的黄琴进行快速、全面的质量评价。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-08 DOI: 10.1002/pca.3402
Kaidi Lv, Chunling Yin, Fang Li, Wenbo Chen, Liuchuang Zhao, Zhimin Liu, Leqian Hu

Introduction: Quality evaluation of Huang-qin is significant to ensure its clinical efficacy.

Objective: This study aims to establish an accurate, rapid and comprehensive Huang-qin quality evaluation method to overcome the time-consuming and laborious shortcomings of traditional herbal medicine quality assessment methods.

Methods: The contents of baicalin, baicalein and scutellarin in Huang-qin from five different origins were analyzed by FT-IR and NIR spectra combined with multivariate data technology. The quality of Huang-qin from different origins was evaluated by TOPSIS and consistency analysis based on the content of three active ingredients. The correlation between ecological factors and the accumulation of active ingredients was explored.

Results: Satisfactory prediction results of PLS models were obtained. Relatively, the model based on FT-IR combined with the PLS regression method has higher R2 and smaller RMSE than the NIR combined with the PLS method. TOPSIS and consistency analysis results showed that the quality of Huang-qin from different geographical origins was significantly different. The results showed that the quality of Huang-qin produced in Shanxi Province was the best among the five origins studied. The results also found that the quality of Huang-qin in different growing areas of the same origin was not completely consistent. The correlation study showed that altitude, sunshine duration and rainfall were the main factors that caused the quality difference of medicinal materials in different geographical origins.

Conclusion: This study provides a reference for the rapid quantitative analysis of the active components of herbal medicine and the quality evaluation of them.

引言黄芪的质量评价对确保其临床疗效具有重要意义:本研究旨在建立一种准确、快速、全面的黄芩质量评价方法,以克服传统中药质量评价方法费时费力的缺点:方法:采用傅立叶变换红外光谱和近红外光谱结合多元数据技术分析了五个不同产地黄芩中黄芩苷、黄芩素和黄芩苷的含量。根据三种有效成分的含量,采用 TOPSIS 和一致性分析法对不同产地黄琴的质量进行了评价。探讨了生态因素与有效成分积累之间的相关性:结果:PLS 模型的预测结果令人满意。相对而言,基于傅立叶变换红外光谱结合 PLS 回归方法的模型比基于近红外光谱结合 PLS 方法的模型具有更高的 R2 和更小的 RMSE。TOPSIS 分析和一致性分析结果表明,不同产地的黄琴质量存在显著差异。结果表明,在所研究的五个产地中,山西省生产的黄琴质量最好。结果还发现,同一产地不同产区的黄琴品质并不完全一致。相关性研究表明,海拔高度、日照时间和降雨量是造成不同产地药材质量差异的主要因素:本研究为中药材有效成分的快速定量分析和质量评价提供了参考。
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引用次数: 0
An intelligent process analysis method for rapidly evaluating the quality of Chinese medicine with near-infrared non-contact hyperspectral imaging: A case study of Weifuchun concentrate. 利用近红外非接触式高光谱成像快速评价中药质量的智能过程分析方法:魏福春浓缩液案例研究。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-25 DOI: 10.1002/pca.3408
Yi Zhong, Wu Wen, Xiaohui Fan, Ningtao Cheng

Introduction: The quality of Chinese medicine preparations can be greatly influenced by the quality of the intermediates such as extracts or concentrates. However, it is highly challenging to evaluate the quality in a rapid and non-contact manner during manufacturing. Here, we introduce an intelligent hyperspectral analysis method integrating a self-built abnormal region removal algorithm with machine learning and demonstrate its utility using the concentrate of Weifuchun (WFC), a traditional Chinese medicine preparation made from Ginseng Radix et Rhizoma Rubra, Rabdosia Amethystoides, and Aurantii Fructus.

Objective: To rapidly and non-destructively detect quality attributes of the intermediates in the manufacturing processes of Chinese medicine, an intelligent hyperspectral analysis method was developed for simultaneously quantifying the contents of naringin, neohesperidin, rosmarinic acid, and relative density of WFC concentrates.

Methodology: Samples were evenly spread on solid white flat bottom containers, which were batch placed on a horizontal sample stage. Subsequent to the acquisition of near-infrared (NIR) hyperspectral images, abnormal pixels such as large/small bubbles and fine solids were first removed according to the differential pixel values in the binary grayscale map and the Mahalanobis distance metric. Then, partial least squares (PLS) and support vector machine (SVM) algorithms were used to construct hyperspectral quantitative calibration models for quality attributes. The hyperspectral images were reconstructed based on these models to visually evaluate the quality of the concentrates during manufacturing.

Results: As a case study, quality attributes of the WFC concentrates including contents of naringin, neohesperidin, rosmarinic acid, and relative density were determined simultaneously, and coefficients of determination of these quantitative correction models were 0.900, 0.891, 0.851, and 0.920, respectively.

Conclusion: The method proposed in this study favors real-time determination of multiple attributes in viscous samples with industrial application prospects.

简介中药制剂的质量在很大程度上受中间体(如提取物或浓缩物)质量的影响。然而,在生产过程中以快速、非接触的方式进行质量评估极具挑战性。在此,我们介绍了一种智能高光谱分析方法,该方法将自建的异常区域去除算法与机器学习相结合,并使用由红参、紫河车和枳实制成的传统中药制剂威化春(WFC)的浓缩物证明了其实用性:为了快速、无损地检测中药生产过程中中间体的质量属性,本研究开发了一种智能高光谱分析方法,用于同时定量检测柚皮苷、新橙皮苷、迷迭香酸的含量以及 WFC 浓缩物的相对密度:将样品均匀涂抹在白色平底实心容器上,分批放置在水平样品台上。采集近红外高光谱图像后,首先根据二元灰度图中的像素差值和马哈拉诺比斯距离度量剔除大/小气泡和细小固体等异常像素。然后,使用偏最小二乘法(PLS)和支持向量机(SVM)算法构建质量属性的高光谱定量校准模型。根据这些模型重建高光谱图像,以便在生产过程中直观地评估浓缩物的质量:作为案例研究,同时测定了柚皮苷、新橙皮苷、迷迭香酸和相对密度等 WFC 浓缩物的质量属性,这些定量校正模型的确定系数分别为 0.900、0.891、0.851 和 0.920:本研究提出的方法有利于实时测定粘性样品中的多种属性,具有工业应用前景。
{"title":"An intelligent process analysis method for rapidly evaluating the quality of Chinese medicine with near-infrared non-contact hyperspectral imaging: A case study of Weifuchun concentrate.","authors":"Yi Zhong, Wu Wen, Xiaohui Fan, Ningtao Cheng","doi":"10.1002/pca.3408","DOIUrl":"10.1002/pca.3408","url":null,"abstract":"<p><strong>Introduction: </strong>The quality of Chinese medicine preparations can be greatly influenced by the quality of the intermediates such as extracts or concentrates. However, it is highly challenging to evaluate the quality in a rapid and non-contact manner during manufacturing. Here, we introduce an intelligent hyperspectral analysis method integrating a self-built abnormal region removal algorithm with machine learning and demonstrate its utility using the concentrate of Weifuchun (WFC), a traditional Chinese medicine preparation made from Ginseng Radix et Rhizoma Rubra, Rabdosia Amethystoides, and Aurantii Fructus.</p><p><strong>Objective: </strong>To rapidly and non-destructively detect quality attributes of the intermediates in the manufacturing processes of Chinese medicine, an intelligent hyperspectral analysis method was developed for simultaneously quantifying the contents of naringin, neohesperidin, rosmarinic acid, and relative density of WFC concentrates.</p><p><strong>Methodology: </strong>Samples were evenly spread on solid white flat bottom containers, which were batch placed on a horizontal sample stage. Subsequent to the acquisition of near-infrared (NIR) hyperspectral images, abnormal pixels such as large/small bubbles and fine solids were first removed according to the differential pixel values in the binary grayscale map and the Mahalanobis distance metric. Then, partial least squares (PLS) and support vector machine (SVM) algorithms were used to construct hyperspectral quantitative calibration models for quality attributes. The hyperspectral images were reconstructed based on these models to visually evaluate the quality of the concentrates during manufacturing.</p><p><strong>Results: </strong>As a case study, quality attributes of the WFC concentrates including contents of naringin, neohesperidin, rosmarinic acid, and relative density were determined simultaneously, and coefficients of determination of these quantitative correction models were 0.900, 0.891, 0.851, and 0.920, respectively.</p><p><strong>Conclusion: </strong>The method proposed in this study favors real-time determination of multiple attributes in viscous samples with industrial application prospects.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1649-1658"},"PeriodicalIF":3.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141458657","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}
引用次数: 0
Screening potential antileukemia agents from duckweed: Integration of chemical profiling, network pharmacology, and experimental validation. 从浮萍中筛选潜在的抗白血病药物:整合化学分析、网络药理学和实验验证。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-25 DOI: 10.1002/pca.3407
Jing Liu, Mengjun Huang, Yan Yang, Yan Zeng, You Yang, Qulian Guo, Wenjun Liu, Ling Guo

Introduction: The identification of active dietary flavonoids in food is promising for novel drug discovery. The active ingredients of duckweed (a widely recognized food and herb with abundant flavonoids) that are associated with acute myeloid leukemia (AML) have yet to be identified, and their underlying mechanisms have not been elucidated.

Objectives: The objective of this study was to identify novel constituents exhibiting antileukemia activity in duckweed through the integration of chemical profiling, network pharmacology, and experimental validation.

Methods: First, high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) was used to characterize the primary constituents of duckweed. Subsequently, AML cell-xenograft tumor models were used to validate the anticancer effect of duckweed extract. Furthermore, network pharmacology analysis was conducted to predict the potential active compounds and drug targets against AML. Lastly, based on these findings, two monomers (apiin and luteoloside) were selected for experimental validation.

Results: A total of 17 compounds, all of which are apigenin and luteolin derivatives, were identified in duckweed. The duckweed extract significantly inhibited AML cell growth in vivo. Furthermore, a total of 88 targets for duckweed against AML were predicted, with key targets including PTGS2, MYC, MDM2, VEGFA, CTNNB1, CASP3, EGFR, TP53, HSP90AA1, CCND1, MMP9, TNF, and MAPK1. GO and KEGG pathway enrichment analyses indicated that these targets were primarily involved in the apoptotic signaling pathway. Lastly, both apiin and luteoloside effectively induced apoptosis through CASP3 activation, and this effect could be partially reversed by a caspase inhibitor (Z-VAD).

Conclusion: Duckweed extract has an antileukemic effect, and apiin derived from duckweed shows potential as a treatment for AML.

导言:鉴定食物中的活性膳食类黄酮对发现新药大有希望。浮萍(一种被广泛认可的含有丰富类黄酮的食物和草本植物)中与急性髓性白血病(AML)相关的活性成分尚未确定,其潜在机制也尚未阐明:本研究旨在通过整合化学图谱分析、网络药理学和实验验证,鉴定浮萍中具有抗白血病活性的新型成分:方法:首先,采用高效液相色谱-串联质谱法(HPLC-MS/MS)鉴定浮萍的主要成分。随后,利用急性髓系白血病细胞异种移植肿瘤模型验证浮萍提取物的抗癌效果。此外,还进行了网络药理学分析,以预测抗 AML 的潜在活性化合物和药物靶点。最后,根据这些研究结果,选择了两种单体(芹菜素和木犀草苷)进行实验验证:结果:在浮萍中发现了 17 种化合物,均为芹菜素和木犀草素的衍生物。浮萍提取物能明显抑制急性髓细胞白血病细胞在体内的生长。此外,还预测了浮萍对急性髓细胞性白血病的88个靶点,主要靶点包括PTGS2、MYC、MDM2、VEGFA、CTNNB1、CASP3、EGFR、TP53、HSP90AA1、CCND1、MMP9、TNF和MAPK1。GO 和 KEGG 通路富集分析表明,这些靶标主要参与凋亡信号通路。最后,芹菜苷和木犀草苷都能通过激活 CASP3 有效诱导细胞凋亡,而这种效应可被一种 Caspase 抑制剂(Z-VAD)部分逆转:结论:浮萍提取物具有抗白血病作用,从浮萍中提取的芹菜素具有治疗急性髓细胞白血病的潜力。
{"title":"Screening potential antileukemia agents from duckweed: Integration of chemical profiling, network pharmacology, and experimental validation.","authors":"Jing Liu, Mengjun Huang, Yan Yang, Yan Zeng, You Yang, Qulian Guo, Wenjun Liu, Ling Guo","doi":"10.1002/pca.3407","DOIUrl":"10.1002/pca.3407","url":null,"abstract":"<p><strong>Introduction: </strong>The identification of active dietary flavonoids in food is promising for novel drug discovery. The active ingredients of duckweed (a widely recognized food and herb with abundant flavonoids) that are associated with acute myeloid leukemia (AML) have yet to be identified, and their underlying mechanisms have not been elucidated.</p><p><strong>Objectives: </strong>The objective of this study was to identify novel constituents exhibiting antileukemia activity in duckweed through the integration of chemical profiling, network pharmacology, and experimental validation.</p><p><strong>Methods: </strong>First, high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) was used to characterize the primary constituents of duckweed. Subsequently, AML cell-xenograft tumor models were used to validate the anticancer effect of duckweed extract. Furthermore, network pharmacology analysis was conducted to predict the potential active compounds and drug targets against AML. Lastly, based on these findings, two monomers (apiin and luteoloside) were selected for experimental validation.</p><p><strong>Results: </strong>A total of 17 compounds, all of which are apigenin and luteolin derivatives, were identified in duckweed. The duckweed extract significantly inhibited AML cell growth in vivo. Furthermore, a total of 88 targets for duckweed against AML were predicted, with key targets including PTGS2, MYC, MDM2, VEGFA, CTNNB1, CASP3, EGFR, TP53, HSP90AA1, CCND1, MMP9, TNF, and MAPK1. GO and KEGG pathway enrichment analyses indicated that these targets were primarily involved in the apoptotic signaling pathway. Lastly, both apiin and luteoloside effectively induced apoptosis through CASP3 activation, and this effect could be partially reversed by a caspase inhibitor (Z-VAD).</p><p><strong>Conclusion: </strong>Duckweed extract has an antileukemic effect, and apiin derived from duckweed shows potential as a treatment for AML.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1633-1648"},"PeriodicalIF":3.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141458694","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}
引用次数: 0
Identification of geographical origins of Gastrodia elata Blume based on multisource data fusion. 基于多源数据融合的 Gastrodia elata Blume 地理起源识别。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-27 DOI: 10.1002/pca.3413
Hong Liu, Honggao Liu, Jieqing Li, Yuanzhong Wang

Introduction: Identifying the geographical origin of Gastrodia elata Blume contributes to the scientific and rational utilization of medicinal materials. In this study, infrared spectroscopy was combined with machine learning algorithms to distinguish the origin of G. elata BI.

Objective: Realization of rapid and accurate identification of the origin of G. elata BI.

Materials and methods: Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectra and Fourier transform near-infrared (FT-NIR) spectra were collected for 306 samples of G. elata BI.

Samples: Firstly, a support vector machine (SVM) model was established based on the single-spectrum and the full-spectrum fusion data. To investigate whether feature-level fusion strategy can enhance the model's performance, the sequential and orthogonalized partial least squares discriminant analysis (SO-PLS-DA) model was established to extract and combine two types of spectral features. Next, six algorithms were employed to extract feature variables, SVM model was established based on the feature-level fusion data. To avoid complicated preprocessing and feature extraction processes, a residual convolutional neural network (ResNet) model was established after converting the raw spectral data into spectral images.

Results: The accuracy of the feature-level fusion model is better as compared to the single-spectrum model and the fusion model with full-spectrum, and SO-PLS-DA is simpler than feature-level fusion based on the SVM model. The ResNet model performs well in classification but requires more data to enhance its generalization capability and training effectiveness.

Conclusion: Sequential and orthogonalized data fusion approaches and ResNet models are powerful solutions for identifying the geographic origin of G. elata BI.

导言:确定 Gastrodia elata Blume 的地理产地有助于科学合理地利用药材。本研究将红外光谱法与机器学习算法相结合,以区分 G. elata BI 的产地:材料与方法:收集了 306 个 G. elata BI 样品的衰减全反射傅立叶变换红外光谱(ATR-FTIR)和傅立叶变换近红外光谱(FT-NIR):首先,基于单光谱和全光谱融合数据建立支持向量机(SVM)模型。为了研究特征级融合策略是否能提高模型的性能,建立了序列和正交化偏最小二乘判别分析(SO-PLS-DA)模型来提取和组合两种光谱特征。接着,采用六种算法提取特征变量,并根据特征级融合数据建立 SVM 模型。为了避免复杂的预处理和特征提取过程,在将原始光谱数据转换为光谱图像后,建立了残差卷积神经网络(ResNet)模型:结果:与单光谱模型和全光谱融合模型相比,特征级融合模型的准确度更高,SO-PLS-DA 比基于 SVM 模型的特征级融合更简单。ResNet 模型在分类中表现良好,但需要更多的数据来增强其泛化能力和训练效果:结论:序列和正交化数据融合方法以及 ResNet 模型是识别 G. elata BI 地理起源的有力解决方案。
{"title":"Identification of geographical origins of Gastrodia elata Blume based on multisource data fusion.","authors":"Hong Liu, Honggao Liu, Jieqing Li, Yuanzhong Wang","doi":"10.1002/pca.3413","DOIUrl":"10.1002/pca.3413","url":null,"abstract":"<p><strong>Introduction: </strong>Identifying the geographical origin of Gastrodia elata Blume contributes to the scientific and rational utilization of medicinal materials. In this study, infrared spectroscopy was combined with machine learning algorithms to distinguish the origin of G. elata BI.</p><p><strong>Objective: </strong>Realization of rapid and accurate identification of the origin of G. elata BI.</p><p><strong>Materials and methods: </strong>Attenuated total reflection Fourier transform infrared (ATR-FTIR) spectra and Fourier transform near-infrared (FT-NIR) spectra were collected for 306 samples of G. elata BI.</p><p><strong>Samples: </strong>Firstly, a support vector machine (SVM) model was established based on the single-spectrum and the full-spectrum fusion data. To investigate whether feature-level fusion strategy can enhance the model's performance, the sequential and orthogonalized partial least squares discriminant analysis (SO-PLS-DA) model was established to extract and combine two types of spectral features. Next, six algorithms were employed to extract feature variables, SVM model was established based on the feature-level fusion data. To avoid complicated preprocessing and feature extraction processes, a residual convolutional neural network (ResNet) model was established after converting the raw spectral data into spectral images.</p><p><strong>Results: </strong>The accuracy of the feature-level fusion model is better as compared to the single-spectrum model and the fusion model with full-spectrum, and SO-PLS-DA is simpler than feature-level fusion based on the SVM model. The ResNet model performs well in classification but requires more data to enhance its generalization capability and training effectiveness.</p><p><strong>Conclusion: </strong>Sequential and orthogonalized data fusion approaches and ResNet models are powerful solutions for identifying the geographic origin of G. elata BI.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1704-1716"},"PeriodicalIF":3.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141470124","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}
引用次数: 0
An improved Trizol method for extracting total RNA from Eleutherococcus senticosus (Rupr. & Maxim.) Maxim leaves. 一种改进的 Trizol 方法,用于从 Eleutherococcus senticosus (Rupr. & Maxim.) Maxim 叶片中提取总 RNA。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-07-01 DOI: 10.1002/pca.3404
Siqiu Xiao, Ying Zhang, Xiaoqing Tang, Jing Yang, Weixue Zhong, Ye Zhang, Ying Liu, Dewen Li

Introduction: High-quality nucleic acids are the basis for molecular biology experiments. Traditional RNA extraction methods are not suitable for Eleutherococcus senticosus Maxim.

Objective: To find a suitable method to improve the quality of RNA extracted, we modified the RNA extraction methods of Trizol.

Methodology: Based on the conventional Trizol method, the modified Trizol method 1 and modified Trizol method 2 were used as the control for extraction of RNA from E. senticosus Maxim leaves. The modified Trizol method 1 added β-mercaptoethanol on the conventional Trizol method. After RNA was dissolved, a mixed solution of phenol, chloroform, and isoamyl alcohol was added to denature protein and inhibit the degradation of RNA. The modified Trizol method 2 adds PVPP to grind on the basis of modified Trizol method 1, so as to better remove phenols from leaves, and eliminates the step of incubation at -20°C to reduce extraction time and RNA degradation. Chloroform, CTAB, and CH3COONa were used instead of a phenol, chloroform, and isoamyl alcohol mixed solution to ensure complete separation of nucleic acid from plant tissues and to obtain high-purity RNA.

Results: The research results showed that the quality of RNA extracted by conventional Trizol method, modified Trizol method 1, was incomplete, accompanied with different degrees of contamination of polysaccharides, polyphenols, and DNA. The modified Trizol method 2 could better extract RNA from E. senticosus Maxim leaves. The ratio of A260/A280 was in the range of 1.8-2.0, and the yield of RNA was the highest, which was 1.68 and 1.15 times compared with that by conventional Trizol method and modified Trizol method 1 extraction, respectively. The reverse transcription cDNA was further tested through PCR with the specific primers. The amplified fragments are displayed in clear and bright bands in accordance with the expected size.

Conclusion: The modified Trizol method 2 could better extract RNA from E. senticosus Maxim leaves. High-quality RNA has more advantages in molecular biology study of E. senticosus Maxim.

简介高质量的核酸是分子生物学实验的基础。传统的 RNA 提取方法并不适合榄香附 Maxim:为了找到一种合适的方法来提高 RNA 提取的质量,我们对 Trizol 的 RNA 提取方法进行了改进:方法:在传统 Trizol 方法的基础上,以改良 Trizol 方法 1 和改良 Trizol 方法 2 作为对照,从仙客来叶片中提取 RNA。改良 Trizol 法 1 在传统 Trizol 法的基础上添加了 β-巯基乙醇。RNA 溶解后,加入苯酚、氯仿和异戊醇的混合溶液,使蛋白质变性,抑制 RNA 降解。改良 Trizol 法 2 在改良 Trizol 法 1 的基础上,在研磨过程中加入了 PVPP,以更好地去除叶片中的酚类物质,并取消了-20℃孵育的步骤,以缩短提取时间,减少 RNA 降解。用氯仿、CTAB和CH3COONa代替苯酚、氯仿和异戊醇混合溶液,以确保核酸从植物组织中完全分离,获得高纯度的RNA:研究结果表明,传统 Trizol 法、改良 Trizol 法 1 提取的 RNA 质量不完全,且伴有不同程度的多糖、多酚和 DNA 污染。改良 Trizol 法 2 能更好地提取洋二仙草马克西姆叶片中的 RNA。A260/A280 的比值在 1.8-2.0 之间,RNA 的产量最高,分别是传统 Trizol 法和改良 Trizol 法 1 提取的 1.68 倍和 1.15 倍。用特定引物对反转录 cDNA 进一步进行 PCR 检测。扩增片段的条带清晰明亮,符合预期大小:结论:改良的 Trizol 方法 2 能更好地从仙客来叶片中提取 RNA。结论:改良的 Trizol 方法 2 能更好地提取马克西姆猴面包树叶片的 RNA,高质量的 RNA 在马克西姆猴面包树的分子生物学研究中更具优势。
{"title":"An improved Trizol method for extracting total RNA from Eleutherococcus senticosus (Rupr. & Maxim.) Maxim leaves.","authors":"Siqiu Xiao, Ying Zhang, Xiaoqing Tang, Jing Yang, Weixue Zhong, Ye Zhang, Ying Liu, Dewen Li","doi":"10.1002/pca.3404","DOIUrl":"10.1002/pca.3404","url":null,"abstract":"<p><strong>Introduction: </strong>High-quality nucleic acids are the basis for molecular biology experiments. Traditional RNA extraction methods are not suitable for Eleutherococcus senticosus Maxim.</p><p><strong>Objective: </strong>To find a suitable method to improve the quality of RNA extracted, we modified the RNA extraction methods of Trizol.</p><p><strong>Methodology: </strong>Based on the conventional Trizol method, the modified Trizol method 1 and modified Trizol method 2 were used as the control for extraction of RNA from E. senticosus Maxim leaves. The modified Trizol method 1 added β-mercaptoethanol on the conventional Trizol method. After RNA was dissolved, a mixed solution of phenol, chloroform, and isoamyl alcohol was added to denature protein and inhibit the degradation of RNA. The modified Trizol method 2 adds PVPP to grind on the basis of modified Trizol method 1, so as to better remove phenols from leaves, and eliminates the step of incubation at -20°C to reduce extraction time and RNA degradation. Chloroform, CTAB, and CH<sub>3</sub>COONa were used instead of a phenol, chloroform, and isoamyl alcohol mixed solution to ensure complete separation of nucleic acid from plant tissues and to obtain high-purity RNA.</p><p><strong>Results: </strong>The research results showed that the quality of RNA extracted by conventional Trizol method, modified Trizol method 1, was incomplete, accompanied with different degrees of contamination of polysaccharides, polyphenols, and DNA. The modified Trizol method 2 could better extract RNA from E. senticosus Maxim leaves. The ratio of A260/A280 was in the range of 1.8-2.0, and the yield of RNA was the highest, which was 1.68 and 1.15 times compared with that by conventional Trizol method and modified Trizol method 1 extraction, respectively. The reverse transcription cDNA was further tested through PCR with the specific primers. The amplified fragments are displayed in clear and bright bands in accordance with the expected size.</p><p><strong>Conclusion: </strong>The modified Trizol method 2 could better extract RNA from E. senticosus Maxim leaves. High-quality RNA has more advantages in molecular biology study of E. senticosus Maxim.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1613-1619"},"PeriodicalIF":3.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141477187","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}
引用次数: 0
Determination of Veratrum alkaloid contents in three Veratrum species by HPLC-MS/MS. 用 HPLC-MS/MS 测定三个马鞭草品种中的马鞭草生物碱含量。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-11 DOI: 10.1002/pca.3401
Julia Siegle, Jörg Pietsch

Introduction: Veratrum alkaloids have gained attention due to their toxic effects and potential pharmaceutical applications, particularly in cancer and cardiology. Over 200 alkaloids are found in species of the Veratrum genus. The alkaloid composition and concentrations can greatly vary in plants depending on factors like species, plant part, location, season, weather, or nutrients.

Objective: This study aims an analytical approach to analyze and quantify Veratrum alkaloids in different plant parts of Veratrum species. The purpose is to contribute essential alkaloid concentration data for future research on the pharmacological and toxicological aspects of Veratrum alkaloids.

Methods: This study focuses on five Veratrum alkaloids (cevadine, jervine, protoveratrine A, veratramine, and veratridine) in three Veratrum species (Veratrum album L., Veratrum californicum Durand, and Veratrum nigrum L.) collected from four German botanical gardens (Dresden, Leipzig, Marburg, and Schellerhau). A liquid-liquid extraction method and a sensitive high-performance liquid chromatography coupled with tandem mass spectrometry (HPLC-MS/MS) method operating in multiple reaction monitoring (MRM) mode were applied for the alkaloid determination.

Results: Quantification revealed varying alkaloid concentrations among plant parts and Veratrum species in the μg/g to mg/g range. Protoveratrine A exhibited the highest content, while veratramine concentrations were generally lower. Especially in fruit, roots and rootstock of Veratrum album L. alkaloid concentrations were significant high.

Conclusion: The developed HPLC-MS/MS method successfully determined Veratrum alkaloid concentrations in plant samples. The study contributes valuable data on Veratrum alkaloid distribution in different species and plant parts, crucial for understanding their potential medicinal and toxicological significance.

简介:马鞭草生物碱因其毒性作用和潜在的药物应用而备受关注,尤其是在癌症和心脏病学方面。在马鞭草属的物种中发现了 200 多种生物碱。植物中的生物碱成分和浓度会因物种、植物部位、地点、季节、天气或养分等因素的不同而有很大差异:本研究旨在采用分析方法,对马鞭草属植物不同部位中的马鞭草生物碱进行分析和定量。目的是为今后研究马鞭草生物碱的药理和毒理方面提供必要的生物碱浓度数据:本研究重点研究了从德国四个植物园(德累斯顿、莱比锡、马尔堡和谢勒豪)采集的三种马鞭草(Veratrum album L.、Veratrum californicum Durand 和 Veratrum nigrum L.)中的五种马鞭草生物碱(cevadine、jervine、protoveratrine A、veratramine 和 veratridine)。采用液液萃取法和灵敏的高效液相色谱-串联质谱法(HPLC-MS/MS)以多反应监测(MRM)模式测定生物碱:定量分析显示,不同植物部位和马鞭草品种的生物碱浓度在微克/克至毫克/克范围内各不相同。原藜芦碱 A 的含量最高,而藜芦碱的含量普遍较低。特别是在马鞭草的果实、根和根茎中,生物碱的浓度非常高:结论:所开发的 HPLC-MS/MS 方法成功地测定了植物样品中的马鞭草生物碱浓度。这项研究为了解马鞭草生物碱在不同物种和植物部位中的分布情况提供了宝贵的数据,对了解其潜在的药用和毒理意义至关重要。
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引用次数: 0
Analysis of cassine and spectaline in the Senna spectabilis ethanolic extracts by capillary zone electrophoresis with indirect UV detection. 采用毛细管区带电泳法和间接紫外检测法分析眼镜番泻叶乙醇提取物中的决明碱和光谱碱。
IF 3 3区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Pub Date : 2024-10-01 Epub Date: 2024-06-24 DOI: 10.1002/pca.3411
Marilia Fontes Barbosa, Marcos Pivatto, Arnaldo Alves Cardoso, João Flávio da Silveira Petruci

Introduction: 2,6-Disubstituted piperidin-3-ols are an important group of piperidine alkaloids found in species such as Senna spectabilis, whose main constituents include cassine and spectaline, compounds with relevant pharmacological activity. The analysis of these compounds is challenging due to the complexity of plant extracts and the absence of chromophores capable of absorbing ultraviolet (UV) radiation.

Objective: This paper presents a new analytical method to separate and quantify the non-UV-absorbing alkaloids present in ethanol extracts from S. spectabilis flowers using capillary zone electrophoresis (CZE) with indirect UV detection.

Methodology: The optimized CZE method employs a background electrolyte containing 60 mM histidine (His), 15 mM α-cyclodextrin, 20% acetonitrile (ACN), and pH-adjusted to 4.7 with acetic acid (AcOH).

Results: The limit of detection (LOD) values was 10.2 and 13.9 mg L-1 for cassine and spectaline, respectively. For both analytes, the precision data were better than 2% of relative standard deviation (RSD) for migration times and peak areas. To evaluate the applicability of the developed method, ethanolic extracts from S. spectabilis flowers were prepared and analyzed.

Conclusions: Thereby, the method proved to be efficient and complementary to conventional techniques, offering a cost-effective alternative in the quantification of the non-UV-absorbing piperidine alkaloids present in plant extracts.

简介:2,6-二取代哌啶-3-醇是一类重要的哌啶生物碱,存在于眼镜番泻叶等物种中,其主要成分包括具有相关药理活性的卡辛和光谱碱。由于植物提取物的复杂性以及缺乏能够吸收紫外线(UV)辐射的发色团,这些化合物的分析具有挑战性:本文提出了一种新的分析方法,利用毛细管区带电泳(CZE)和间接紫外检测法分离和定量分析光谱花乙醇提取物中不吸收紫外线的生物碱:优化的 CZE 方法采用的背景电解质含有 60 mM 组氨酸(His)、15 mM α-环糊精、20% 乙腈(ACN),并用乙酸(AcOH)调节 pH 值至 4.7:卡辛和光谱碱的检出限(LOD)分别为 10.2 mg L-1 和 13.9 mg L-1。两种分析物的迁移时间和峰面积的精密度数据均优于相对标准偏差(RSD)的 2%。为评估所开发方法的适用性,制备并分析了光谱花的乙醇提取物:因此,该方法被证明是一种高效且可与传统技术互补的方法,为定量检测植物提取物中不吸收紫外线的哌啶生物碱提供了一种经济有效的替代方法。
{"title":"Analysis of cassine and spectaline in the Senna spectabilis ethanolic extracts by capillary zone electrophoresis with indirect UV detection.","authors":"Marilia Fontes Barbosa, Marcos Pivatto, Arnaldo Alves Cardoso, João Flávio da Silveira Petruci","doi":"10.1002/pca.3411","DOIUrl":"10.1002/pca.3411","url":null,"abstract":"<p><strong>Introduction: </strong>2,6-Disubstituted piperidin-3-ols are an important group of piperidine alkaloids found in species such as Senna spectabilis, whose main constituents include cassine and spectaline, compounds with relevant pharmacological activity. The analysis of these compounds is challenging due to the complexity of plant extracts and the absence of chromophores capable of absorbing ultraviolet (UV) radiation.</p><p><strong>Objective: </strong>This paper presents a new analytical method to separate and quantify the non-UV-absorbing alkaloids present in ethanol extracts from S. spectabilis flowers using capillary zone electrophoresis (CZE) with indirect UV detection.</p><p><strong>Methodology: </strong>The optimized CZE method employs a background electrolyte containing 60 mM histidine (His), 15 mM α-cyclodextrin, 20% acetonitrile (ACN), and pH-adjusted to 4.7 with acetic acid (AcOH).</p><p><strong>Results: </strong>The limit of detection (LOD) values was 10.2 and 13.9 mg L<sup>-1</sup> for cassine and spectaline, respectively. For both analytes, the precision data were better than 2% of relative standard deviation (RSD) for migration times and peak areas. To evaluate the applicability of the developed method, ethanolic extracts from S. spectabilis flowers were prepared and analyzed.</p><p><strong>Conclusions: </strong>Thereby, the method proved to be efficient and complementary to conventional techniques, offering a cost-effective alternative in the quantification of the non-UV-absorbing piperidine alkaloids present in plant extracts.</p>","PeriodicalId":20095,"journal":{"name":"Phytochemical Analysis","volume":" ","pages":"1688-1694"},"PeriodicalIF":3.0,"publicationDate":"2024-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141458658","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}
引用次数: 0
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Phytochemical Analysis
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