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Molecules 2017, 22(8), 1200; doi:10.3390/molecules22081200

A Metabolomics-Guided Exploration of the Phytochemical Constituents of Vernonia fastigiata with the Aid of Pressurized Hot Water Extraction and Liquid Chromatography-Mass Spectrometry

1
Department of Biochemistry, University of Johannesburg, P.O. Box 524, Auckland Park 2006, South Africa
2
Department of Chemistry, University of Johannesburg, P.O. Box 524, Auckland Park 2006, South Africa
*
Author to whom correspondence should be addressed.
Received: 27 June 2017 / Revised: 10 July 2017 / Accepted: 11 July 2017 / Published: 27 July 2017
(This article belongs to the Section Natural Products)
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Abstract

Vernonia fastigiata is a multi-purpose nutraceutical plant with interesting biological properties. However, very little is known about its phytochemical composition and, thus the need for its phytochemical characterization. In the current study, an environmentally friendly method, pressurized hot water extraction (PHWE), was used to extract metabolites from the leaves of V. fastigiata at various temperatures (50 °C, 100 °C, 150 °C and 200 °C). Ultra-high performance liquid chromatography-quadrupole time of flight mass spectrometry (UHPLC-qTOF-MS) analysis in combination with chemometric methods, particularly principal component analysis (PCA) and liquid/gas chromatography mass spectrometry (XCMS) cloud plots, were used to descriptively visualize the data and identify significant metabolites extracted at various temperatures. A total of 25 different metabolites, including hydroxycinnamic acid derivatives, clovamide, deoxy-clovamide and flavonoids, were noted for the first time in this plant. Overall, an increase in extraction temperature resulted in an increase in metabolite extraction during PHWE. This study is the first scientific report on the phytochemical composition of V. fastigiata, providing insight into the components of the chemo-diversity of this important plant. View Full-Text
Keywords: Vernonia fastigiata; PHWE; chemometrics; clovamide; cloud plot; deoxyclovamide; flavonoids; PCA; XCMS Vernonia fastigiata; PHWE; chemometrics; clovamide; cloud plot; deoxyclovamide; flavonoids; PCA; XCMS
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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Masike, K.; Khoza, B.S.; Steenkamp, P.A.; Smit, E.; Dubery, I.A.; Madala, N.E. A Metabolomics-Guided Exploration of the Phytochemical Constituents of Vernonia fastigiata with the Aid of Pressurized Hot Water Extraction and Liquid Chromatography-Mass Spectrometry. Molecules 2017, 22, 1200.

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