Metabolomics as a Potential Chemotaxonomical Tool: Application in the Genus Vernonia Schreb

M.E.P. Martucci, R.C.H. de Vos, C.A. Carollo

Research output: Contribution to journalArticleAcademicpeer-review

49 Citations (Scopus)

Abstract

The taxonomic classification of the genus Vernonia Schreb is complex and, as yet, unclear. We here report the use of untargeted metabolomics approaches, followed by multivariate analyses methods and a phytochemical characterization of ten Vernonia species. Metabolic fingerprints were obtained by accurate mass measurements and used to determine the phytochemical similarities and differences between species through multivariate analyses approaches. Principal component analysis based on the relative levels of 528 metabolites, indicated that the ten species could be clustered into four groups. Thereby, V. polyanthes was the only species with presence of flavones chrysoeriol-7-O-glycuronyl, acacetin-7-O-glycuronyl and sesquiterpenes lactones piptocarphin A and piptocarphin B, while glaucolide A was detected in both V. brasiliana and V. polyanthes, separating these species from the two other species of the Vernonanthura group. Species from the Lessingianthus group were unique in showing a positive response in the foam test, suggesting the presence of saponins, which could be confirmed by metabolite annotation. V. rufogrisea showed a great variety of sesquiterpene lactones, placing this species into a separate group. Species within the Chrysolaena group were unique in accumulating clovamide. Our results of LC-MS-based profiling combined with multivariate analyses suggest that metabolomics approaches, such as untargeted LC-MS, may be potentially used as a large-scale chemotaxonomical tool, in addition to classical morphological and cytotaxonomical approaches, in order to facilitate taxonomical classifications.
Original languageEnglish
Article numbere93149
Number of pages8
JournalPLoS ONE
Volume9
Issue number4
DOIs
Publication statusPublished - 2014

Fingerprint

Vernonia
Metabolomics
Sesquiterpenes
sesquiterpenoid lactones
Phytochemicals
metabolomics
Lactones
Metabolites
phytopharmaceuticals
Multivariate Analysis
metabolites
Flavones
Saponins
flavones
foams
saponins
Foams
Dermatoglyphics
testing
methodology

Keywords

  • ericoides mart. asteraceae
  • mass-spectrometry
  • sesquiterpene lactones
  • chlorogenic acids
  • flavonoids
  • identification
  • compositae
  • amygdalina
  • saponins
  • leaves

Cite this

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title = "Metabolomics as a Potential Chemotaxonomical Tool: Application in the Genus Vernonia Schreb",
abstract = "The taxonomic classification of the genus Vernonia Schreb is complex and, as yet, unclear. We here report the use of untargeted metabolomics approaches, followed by multivariate analyses methods and a phytochemical characterization of ten Vernonia species. Metabolic fingerprints were obtained by accurate mass measurements and used to determine the phytochemical similarities and differences between species through multivariate analyses approaches. Principal component analysis based on the relative levels of 528 metabolites, indicated that the ten species could be clustered into four groups. Thereby, V. polyanthes was the only species with presence of flavones chrysoeriol-7-O-glycuronyl, acacetin-7-O-glycuronyl and sesquiterpenes lactones piptocarphin A and piptocarphin B, while glaucolide A was detected in both V. brasiliana and V. polyanthes, separating these species from the two other species of the Vernonanthura group. Species from the Lessingianthus group were unique in showing a positive response in the foam test, suggesting the presence of saponins, which could be confirmed by metabolite annotation. V. rufogrisea showed a great variety of sesquiterpene lactones, placing this species into a separate group. Species within the Chrysolaena group were unique in accumulating clovamide. Our results of LC-MS-based profiling combined with multivariate analyses suggest that metabolomics approaches, such as untargeted LC-MS, may be potentially used as a large-scale chemotaxonomical tool, in addition to classical morphological and cytotaxonomical approaches, in order to facilitate taxonomical classifications.",
keywords = "ericoides mart. asteraceae, mass-spectrometry, sesquiterpene lactones, chlorogenic acids, flavonoids, identification, compositae, amygdalina, saponins, leaves",
author = "M.E.P. Martucci and {de Vos}, R.C.H. and C.A. Carollo",
year = "2014",
doi = "10.1371/journal.pone.0093149",
language = "English",
volume = "9",
journal = "PLoS ONE",
issn = "1932-6203",
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}

Metabolomics as a Potential Chemotaxonomical Tool: Application in the Genus Vernonia Schreb. / Martucci, M.E.P.; de Vos, R.C.H.; Carollo, C.A.

In: PLoS ONE, Vol. 9, No. 4, e93149, 2014.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Metabolomics as a Potential Chemotaxonomical Tool: Application in the Genus Vernonia Schreb

AU - Martucci, M.E.P.

AU - de Vos, R.C.H.

AU - Carollo, C.A.

PY - 2014

Y1 - 2014

N2 - The taxonomic classification of the genus Vernonia Schreb is complex and, as yet, unclear. We here report the use of untargeted metabolomics approaches, followed by multivariate analyses methods and a phytochemical characterization of ten Vernonia species. Metabolic fingerprints were obtained by accurate mass measurements and used to determine the phytochemical similarities and differences between species through multivariate analyses approaches. Principal component analysis based on the relative levels of 528 metabolites, indicated that the ten species could be clustered into four groups. Thereby, V. polyanthes was the only species with presence of flavones chrysoeriol-7-O-glycuronyl, acacetin-7-O-glycuronyl and sesquiterpenes lactones piptocarphin A and piptocarphin B, while glaucolide A was detected in both V. brasiliana and V. polyanthes, separating these species from the two other species of the Vernonanthura group. Species from the Lessingianthus group were unique in showing a positive response in the foam test, suggesting the presence of saponins, which could be confirmed by metabolite annotation. V. rufogrisea showed a great variety of sesquiterpene lactones, placing this species into a separate group. Species within the Chrysolaena group were unique in accumulating clovamide. Our results of LC-MS-based profiling combined with multivariate analyses suggest that metabolomics approaches, such as untargeted LC-MS, may be potentially used as a large-scale chemotaxonomical tool, in addition to classical morphological and cytotaxonomical approaches, in order to facilitate taxonomical classifications.

AB - The taxonomic classification of the genus Vernonia Schreb is complex and, as yet, unclear. We here report the use of untargeted metabolomics approaches, followed by multivariate analyses methods and a phytochemical characterization of ten Vernonia species. Metabolic fingerprints were obtained by accurate mass measurements and used to determine the phytochemical similarities and differences between species through multivariate analyses approaches. Principal component analysis based on the relative levels of 528 metabolites, indicated that the ten species could be clustered into four groups. Thereby, V. polyanthes was the only species with presence of flavones chrysoeriol-7-O-glycuronyl, acacetin-7-O-glycuronyl and sesquiterpenes lactones piptocarphin A and piptocarphin B, while glaucolide A was detected in both V. brasiliana and V. polyanthes, separating these species from the two other species of the Vernonanthura group. Species from the Lessingianthus group were unique in showing a positive response in the foam test, suggesting the presence of saponins, which could be confirmed by metabolite annotation. V. rufogrisea showed a great variety of sesquiterpene lactones, placing this species into a separate group. Species within the Chrysolaena group were unique in accumulating clovamide. Our results of LC-MS-based profiling combined with multivariate analyses suggest that metabolomics approaches, such as untargeted LC-MS, may be potentially used as a large-scale chemotaxonomical tool, in addition to classical morphological and cytotaxonomical approaches, in order to facilitate taxonomical classifications.

KW - ericoides mart. asteraceae

KW - mass-spectrometry

KW - sesquiterpene lactones

KW - chlorogenic acids

KW - flavonoids

KW - identification

KW - compositae

KW - amygdalina

KW - saponins

KW - leaves

U2 - 10.1371/journal.pone.0093149

DO - 10.1371/journal.pone.0093149

M3 - Article

VL - 9

JO - PLoS ONE

JF - PLoS ONE

SN - 1932-6203

IS - 4

M1 - e93149

ER -