Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS Profiles
<i>Buxus sempervirens</i> 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 <i>nor</i>-triterpene alkaloids of the <i>nor</i>-cycloartane type. Recently,...
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MDPI AG
2021-12-01
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| Series: | Molecules |
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| Online Access: | https://www.mdpi.com/1420-3049/27/1/82 |
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| author | Lara U. Szabó Thomas J. Schmidt |
| author_facet | Lara U. Szabó Thomas J. Schmidt |
| author_sort | Lara U. Szabó |
| collection | DOAJ |
| description | <i>Buxus sempervirens</i> 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 <i>nor</i>-triterpene alkaloids of the <i>nor</i>-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 <i>B</i>. <i>sempervirens</i> 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 <i>B</i>. <i>sempervirens</i> var. <i>arborescens</i> and <i>suffruticosa</i> 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 <i>B</i>. <i>sempervirens</i>. 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 <i>Buxus</i>-alkaloids of interest for subsequent studies. |
| first_indexed | 2024-03-10T03:30:46Z |
| format | Article |
| id | doaj.art-533208a7945543a2a1c0f430892bf857 |
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| issn | 1420-3049 |
| language | English |
| last_indexed | 2024-03-10T03:30:46Z |
| publishDate | 2021-12-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Molecules |
| spelling | doaj.art-533208a7945543a2a1c0f430892bf8572023-11-23T11:56:27ZengMDPI AGMolecules1420-30492021-12-012718210.3390/molecules27010082Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS ProfilesLara U. Szabó0Thomas J. Schmidt1Institute of Pharmaceutical Biology and Phytochemistry (IPBP), PharmaCampus, University of Münster, Corrensstraße 48, D-48149 Münster, GermanyInstitute of Pharmaceutical Biology and Phytochemistry (IPBP), PharmaCampus, University of Münster, Corrensstraße 48, D-48149 Münster, Germany<i>Buxus sempervirens</i> 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 <i>nor</i>-triterpene alkaloids of the <i>nor</i>-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 <i>B</i>. <i>sempervirens</i> 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 <i>B</i>. <i>sempervirens</i> var. <i>arborescens</i> and <i>suffruticosa</i> 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 <i>B</i>. <i>sempervirens</i>. 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 <i>Buxus</i>-alkaloids of interest for subsequent studies.https://www.mdpi.com/1420-3049/27/1/82<i>Buxus sempervirens</i> L.<i>nor</i>-cycloartane alkaloidsseasonal variabilityoptimal harvesting timemultivariate data analysisprincipal component analysis |
| spellingShingle | Lara U. Szabó Thomas J. Schmidt Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS Profiles Molecules <i>Buxus sempervirens</i> L. <i>nor</i>-cycloartane alkaloids seasonal variability optimal harvesting time multivariate data analysis principal component analysis |
| title | Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS Profiles |
| title_full | Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS Profiles |
| title_fullStr | Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS Profiles |
| title_full_unstemmed | Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS Profiles |
| title_short | Investigation of the Variability of Alkaloids in <i>Buxus sempervirens</i> L. Using Multivariate Data Analysis of LC/MS Profiles |
| title_sort | investigation of the variability of alkaloids in i buxus sempervirens i l using multivariate data analysis of lc ms profiles |
| topic | <i>Buxus sempervirens</i> L. <i>nor</i>-cycloartane alkaloids seasonal variability optimal harvesting time multivariate data analysis principal component analysis |
| url | https://www.mdpi.com/1420-3049/27/1/82 |
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