Multivariate Analysis of UPLC-MS/MS Metabolomic Profiles in Four <i>Hiraea</i> Species (Malpighiaceae)

Multivariate Analysis of UPLC-MS/MS Metabolomic Profiles in Four <i>Hiraea</i> Species (Malpighiaceae)

The presence of bioactive compounds is reported in several Malpighiaceae species. However, little metabolomic information is documented in the genus <i>Hiraea</i> (Malpighiaceae). Thus, the objective was to identify secondary metabolites in the leaves of <i>Hiraea cuiabensis</i&...

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Bibliographic Details
Main Authors: Jaqueline Munise Guimarães da Silva, Rafael Felipe de Almeida, Maria Luiza Zeraik
Format: Article
Language:English
Published: MDPI AG 2025-06-01
Series:Separations
Subjects:
<i>H. cuiabensis</i>
<i>H. hatschbachii</i>
<i>H. reclinata</i>
<i>H. restingae</i>
Online Access:https://www.mdpi.com/2297-8739/12/6/159
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Summary:The presence of bioactive compounds is reported in several Malpighiaceae species. However, little metabolomic information is documented in the genus <i>Hiraea</i> (Malpighiaceae). Thus, the objective was to identify secondary metabolites in the leaves of <i>Hiraea cuiabensis</i>, <i>H. hatschbachii</i>, <i>H. reclinata</i>, and <i>H. restingae</i> using ultra-performance liquid chromatography coupled to mass spectrometry (UPLC-MS/MS) and to compare the profiles by VIP score (partial least squares discriminant analysis, PLS-DA). Leaves were extracted with ethanol–water (4:1 <i>v</i>/<i>v</i>) and subjected to UPLC-MS/MS. The UPLC-MS/MS chromatographic profiles (in both positive and negative ionization modes) were separately processed and compared using the VIP score (PLS-DA). Fifty compounds were annotated, forty-five for the first time in the genus Hiraea, including flavonoids and phenolic acids, such as chlorogenic acid. The VIP score analysis revealed differences in the intensities of the compounds identified in <i>Hiraea</i> leaves (95% confidence), with rutin and myricitrin as the key metabolites for distinguishing among the four <i>Hiraea</i> species. These findings contributed to an understanding of the chemical diversity within <i>Hiraea</i>, suggesting possible ecological adaptations and potential pharmacological applications.
ISSN:2297-8739

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