A multiplex approach of MS, 1D-, and 2D-NMR metabolomicsin plant ontogeny A case study on Clusia minor L. organs (leaf, flower, fruit, and seed)

A - Papers appearing in refereed journals

Noleto-Dias, C., Farag, M. A., Porzel, A., Tavares, J. F. and Wessjohann, L. A. 2023. A multiplex approach of MS, 1D-, and 2D-NMR metabolomicsin plant ontogeny A case study on Clusia minor L. organs (leaf, flower, fruit, and seed). Phytochemical Analysis. https://doi.org/10.1002/pca.3300

AuthorsNoleto-Dias, C., Farag, M. A., Porzel, A., Tavares, J. F. and Wessjohann, L. A.
Abstract

Introduction
The genus Clusia L. is mostly recognised for the production of prenylated benzophenones and tocotrienol derivatives.
Objectives
The objective of this study was to map metabolome variation within Clusia minor organs at different developmental stages.
Material and Methods
In total 15 organs/stages (leaf, flower, fruit, and seed) were analysed by UPLC-MS and 1H- and heteronuclear multiple-bond correlation (HMBC)-NMR-based metabolomics.
Results
This work led to the assignment of 46 metabolites, belonging to organic acids(1), sugars(2) phenolic acids(1), flavonoids(3) prenylated xanthones(1) benzophenones(4) and tocotrienols(2). Multivariate data analyses explained the variability and classification of samples, highlighting chemical markers that discriminate each organ/stage. Leaves were found to be rich in 5-hydroxy-8-methyltocotrienol (8.5 μg/mg f.w.), while flowers were abundant in the polyprenylated benzophenone nemorosone with maximum level detected in the fully mature flower bud (43 μg/mg f.w.). Nemorosone and 5-hydroxy tocotrienoloic acid were isolated from FL6 for full structural characterisation. This is the first report of the NMR assignments of 5-hydroxy tocotrienoloic acid, and its maximum level was detected in the mature fruit at 50 μg/mg f.w. Seeds as typical storage organ were rich in sugars and omega-6 fatty acids.
Conclusion
To the best of our knowledge, this is the first report on a comparative 1D-/2D-NMR approach to assess compositional differences in ontogeny studies compared with LC-MS exemplified by Clusia organs. Results derived from this study provide better understanding of the stages at which maximal production of natural compounds occur and elucidate in which developmental stages the enzymes responsible for the production of such metabolites are preferentially expressed.

Keywords2D-NMR metabolomics; Clusiaceae; HMBC; Ontogenic changes; Prenylated benzophenones; Tocotrienols
Year of Publication2023
JournalPhytochemical Analysis
Digital Object Identifier (DOI)https://doi.org/10.1002/pca.3300
Web address (URL)https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/pca.3300
Open accessPublished as ‘gold’ (paid) open access
Publisher's version
Supplemental file
Output statusPublished
Publication dates
Online08 Dec 2023
Publication process dates
Accepted09 Oct 2023
PublisherWiley
ISSN0958-0344

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