Metabolomic Fingerprinting of Romaneschi Globe Artichokes by NMR Spectroscopy and Multivariate Data Analysis

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Introduction The phytoalimurgic plants, common dandelion (Taraxacum officinale), corn poppy (Papaver rhoeas) and stinging nettle (Urtica dioica) are a source of nutraceuticals. Objectives To apply a combined metabolomic fingerprinting approach by nuclear magnetic resonance (NMR) and gas chromatography–mass spectrometry (GC–MS) to common dandelion, corn poppy and stinging nettles to obtain simultaneous identification and quantitation of the major classes of organic compounds. Methodology The whole plants collected in the Cilento National Park were dried and then extracted to obtain non‐polar and polar organic extracts. GC–MS was used for non‐polar extracts while 1H‐NMR spectroscopy was used for polar extracts. In both cases, simultaneous identification and quantification of the bioactive metabolites was obtained. Results Non‐polar organic extracts of all plants were mainly composed of palmitic, stearic and oleic acids. The two pentacyclic triterpenols α‐ and β‐amyrin were detected in nettle extract. The analysis of polar organic extracts allowed to detect and quantify organic acids and sugars as main metabolites along with amino acids, caffeoyl derivatives, flavonoids, and nucleotides. In particular, corn poppy leaves contained a huge amount of glyceric acid (55.7% of the total extract). Stinging nettles, instead, exhibited a large amount of choline (19.5%). Conclusion Metabolomic approach coupling GC–MS with NMR spectroscopy allowed to provide a detailed metabolite profile of three alimurgic plants, common dandelion, corn poppy and stinging nettle, from both a qualitative and quantitative point of view.

Section: Methodsmentioning

confidence: 99%

Metabolomics of the alimurgic plants Taraxacum officinale, Papaver rhoeas and Urtica dioica by combined NMR and GC–MS analysis

Grauso

Emrick

Bonanomi

et al. 2019

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“…Multivariate analyses were applied to 1 H‐NMR spectral data from both aqueous and organic fractions of leaves extracts. 1 H‐NMR spectra were preliminarily normalised and reduced to integrated regions of equal widths (bins = 0.01 ppm), corresponding to 0–10 ppm and subsequently reduced to ASCII files using iNMR . Matrices were submitted to principal component analysis (PCA) ordination using the STATISTICA 7 Software (StatSoft Inc., Tulsa, OK, USA).…”

Section: Methodsmentioning

confidence: 75%

“…Assignments were performed by analysis of one‐dimensional (1D) and two‐dimensional (2D) NMR spectra and comparison with pure standards (see Experimental section) and reference data available in the literature …”

Section: Resultsmentioning

confidence: 99%

“…Spectral peak assignments of organic acids, amino acids, carbohydrates, chlorogenic acid and its derivatives were obtained on the basis of pure standards purchased by Sigma‐Aldrich. Spectral peak assignments of these and the other detected metabolites were obtained by two‐dimensional (2D) NMR experiments, including 1 H‐ 1 H correlation spectroscopy (COSY) and 1 H‐ 13 C heteronuclear single‐quantum correlation (HSQC) and comparison with data reported in the literature . The COSY spectra were acquired with a spectral width of 6130 Hz in both dimensions, 8 K data points, and 512 increments with 32 transients per increment.…”

Section: Methodsmentioning

confidence: 99%

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Metabolomics approach based on NMR spectroscopy and multivariate data analysis to explore the interaction between the leafminer Tuta absoluta and tomato (Solanum lycopersicum)

Falco

Manzo

Incerti

et al. 2019

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Introduction Tuta absoluta (Meyrick) (Lepidoptera: Gelechiidae) is one of the most devastating and harmful pests of tomato (Solanum lycopersicum) crops causing up to 80–100% yield losses. A large arsenal of plant metabolites is induced by the leafminer feeding including defence compounds that could differ among varieties. Objective To compare the metabolomic changes of different genotypes of tomato (tolerant “T”, susceptible “S” and “F1” hybrid obtained between T and S) after exposition to T. absoluta. Methodology Nuclear magnetic resonance (NMR) spectroscopy followed by multivariate data analysis were performed to analyse the metabolic profiles of control and infested samples on three different tomato genotypes. Results Signals related to GABA (γ‐aminobutyric acid) were relatively much higher in all infested samples compared to the non‐infested plants used as control. Infested T genotype samples were the most abundant in organic acids, including fatty acids and acyl sugars, chlorogenic acid, neo‐chlorogenic acid and feruloyl quinic acid, indicating a clear link between the exposure to leafminer. Results also showed an increase of trigonelline in all tomato varieties after exposition to T. absoluta. Conclusion Metabolomics approach based on NMR spectroscopy followed by multivariate data analysis allowed for a detailed metabolite profile of plant defences, providing fundamental information for breeding programmes in plant crops.

“…The region of the solvent peaks was excluded from the analysis. Spectral peak assignments of the detected compounds were obtained based on pure standards purchased by Sigma‐Aldrich, and on combined comparison with data reported in the literature and in Human Metabolome Database (HMDB) . All spectra were manually phased, and baseline corrected.…”

Section: Methodsmentioning

confidence: 99%

Spectroscopic and multivariate data‐based method to assess the metabolomic fingerprint of Mediterranean plants

Grauso

Zotti

Sun

et al. 2019

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Introduction Most secondary metabolites from plants have a prominent defensive role and repellency against predators and microbial pathogens. These properties largely vary among plant species and offer potential applications as biologically active compounds in medicine as well in agriculture. Objectives We propose a new procedure that combine different spectroscopic techniques and multivariate data analysis to determine the chemical composition and the relative amounts of each metabolites and/or each class of organic compounds. The approach was used for a rapid identification of secondary metabolites from leaf and root of eight Mediterranean plants species. Methodology The polar and the apolar extracts of two leaves and roots of each plant were analysed by proton nuclear magnetic resonance (1H‐NMR) and gas chromatography coupled to mass spectrometry (GC–MS), respectively. Multivariate data analysis was used for a faster interpretation of data. Results The metabolic fingerprint of the Mediterranean plants, Acanthus mollis, Dittrichia viscosa, Festuca drymeja, Fraxinus ornus, Fagus sylvatica, Hedera helix, Quercus ilex, and Typha latifolia, showed a complex chemical composition, being specific for each species and plant tissue. Two alditols, mannitol and quercitol, were found in manna ash (Fraxinus ornus) and holm oak (Q. ilex) polar leaf extracts, respectively. The highest levels of aromatic compounds were found in D. viscosa and T. latifolia. Fatty acids were the predominant class of compounds in all apolar extracts under investigation. Triterpene were almost exclusively found in roots, except for holm oak, where they constitute 58% of total extract. Steroids were widespread in leaf extracts. Conclusion The major advantages of the proposed approach are versatility and rapidity, thus making it suitable for a fast comparison among species and plant tissue types.