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采用 LC/MS 图谱的多元数据分析研究 L. 中生物碱的变异性。

Investigation of the Variability of Alkaloids in L. Using Multivariate Data Analysis of LC/MS Profiles.

机构信息

Institute of Pharmaceutical Biology and Phytochemistry (IPBP), PharmaCampus, University of Münster, Corrensstraße 48, D-48149 Münster, Germany.

出版信息

Molecules. 2021 Dec 23;27(1):82. doi: 10.3390/molecules27010082.

DOI:10.3390/molecules27010082
PMID:35011313
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC8746436/
Abstract

L. is a common ornamental plant in southern and central Europe, and has been used ethopharmacologically against a wide variety of diseases due to it containing -triterpene alkaloids of the -cycloartane type. Recently, we demonstrated the interesting antiprotozoal potential of some of these compounds. To characterize the temporal variability in the alkaloid profile of two different varieties and their leaves and twigs, 30 different extracts of . were evaluated by Ultra High Performance Liquid Chromatography/positive Mode-Electrospray Ionization Quadrupole Time-of-Flight-Tandem Mass Spectrometry (UHPLC/+ESI-QqTOF-MS/MS). The analytical profiles were thoroughly investigated by various methods of multivariate data analysis (MVDA). A principal component analysis (PCA) model elucidates the seasonal variation in the phytochemical composition of . var. and along with differences between the varieties. Analysis of a volcano plot illustrated the differences between the two organs, the leaf and twig. Eighteen compounds were highlighted by the models as constituents of the plant characteristic for a season, variety or organ. These compounds were dereplicated based on their chromatographic and +ESI-QqTOF-MS and -MS/MS data. In addition, mass spectral fragmentation pathways for already known alkaloids as well as new natural products could be postulated for the first time. In conclusion, the MVDA models give detailed information on the temporal variability in the alkaloid profile of two different varieties and their organs (leaf vs. twig) of . . Thus, the results of this study allow, e.g., the identification of characteristic compounds for the different varieties, plant organs, seasons, and the optimal harvesting time for the isolation of particular -alkaloids of interest for subsequent studies.

摘要

L. 是欧洲南部和中部常见的观赏植物,由于其含有 - 环阿尔图烷型 - 三萜生物碱,已被用于治疗多种疾病的ethopharmacologically。最近,我们证明了其中一些化合物具有有趣的抗原生动物潜力。为了表征两种不同品种及其叶和小枝中生物碱谱的时间变异性,通过超高效液相色谱/正模式-电喷雾电离四极杆飞行时间串联质谱(UHPLC / + ESI-QqTOF-MS / MS)评估了 30 种不同的. 提取物。通过各种多元数据分析(MVDA)方法对分析图谱进行了深入研究。主成分分析(PCA)模型阐明了. var. 和 的植物化学成分随季节的变化,以及品种之间的差异。火山图分析说明了两种器官(叶和小枝)之间的差异。模型突出了 18 种化合物作为植物特征季节、品种或器官的组成部分。这些化合物基于其色谱和 +ESI-QqTOF-MS 和 -MS/MS 数据进行了去重复。此外,还首次为已知生物碱和新天然产物假设了质谱裂解途径。总之,MVDA 模型提供了有关两种不同品种及其器官(叶与小枝)的生物碱谱时间变异性的详细信息。因此,本研究的结果可以确定不同品种、植物器官、季节的特征化合物,以及用于分离特定感兴趣的 - 生物碱的最佳收获时间,以进行后续研究。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/cc0c0cb502eb/molecules-27-00082-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/40122579dcff/molecules-27-00082-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/fa6bdabf56fe/molecules-27-00082-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/a870ba0cbcdd/molecules-27-00082-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/4846ab24bcd1/molecules-27-00082-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/c81459e65693/molecules-27-00082-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/0be1f7010b97/molecules-27-00082-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/08edc624e034/molecules-27-00082-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/2c8240c02d21/molecules-27-00082-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/9b6c1d21a2b2/molecules-27-00082-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/cc0c0cb502eb/molecules-27-00082-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/40122579dcff/molecules-27-00082-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/fa6bdabf56fe/molecules-27-00082-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/a870ba0cbcdd/molecules-27-00082-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/4846ab24bcd1/molecules-27-00082-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/c81459e65693/molecules-27-00082-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/0be1f7010b97/molecules-27-00082-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/08edc624e034/molecules-27-00082-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/2c8240c02d21/molecules-27-00082-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/9b6c1d21a2b2/molecules-27-00082-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9b85/8746436/cc0c0cb502eb/molecules-27-00082-g010.jpg

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