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Comparative Study
. 2025 Jun;36(4):1017-1030.
doi: 10.1002/pca.3488. Epub 2025 Jan 21.

Comparison of Vegetable Waste Byproducts of Selected Cultivars of Foeniculum vulgare Mill. by an Integrated LC-(HR)MS and 1H-NMR-Based Metabolomics Approach

Maria Assunta Crescenzi  1   2 , Antonietta Cerulli  1 , Milena Masullo  1 , Paola Montoro  1 , Sonia Piacente  1   3
Affiliations
Comparative Study

Comparison of Vegetable Waste Byproducts of Selected Cultivars of Foeniculum vulgare Mill. by an Integrated LC-(HR)MS and 1H-NMR-Based Metabolomics Approach

Maria Assunta Crescenzi et al. Phytochem Anal. 2025 Jun.

Abstract

Introduction: The metabolome of plants is influenced by various factors, especially environmental, as the season in which they are grown. So, distinct varieties of the identical plant might show an increase or decrease in metabolites. The diversity of content of primary and secondary metabolites can also determine the variation in their biological properties. Due to the current occurrence of various fennel varieties, the crop can now be grown for the entire year.

Objective: This work used an integrated approach of LC/MS and NMR analysis to characterize the metabolome of fennel waste of different varieties by multivariate statistical analysis.

Methods: The extracts were investigated by NMR and LC/MS analysis to focus attention on the primary and secondary metabolites. Both LC-HRMS and NMR data were analyzed by principal component analysis (PCA).

Results: The 1H-NMR analysis led to the identification of 15 primary metabolites, such as amino acids, carbohydrates, and organic acid derivatives. The secondary metabolites identified by LC/MS analysis mainly belong to the phenolic, lipid, and fatty acid compounds classes.

Conclusion: This integrated approach guarantees a precise and complete overview of the variations in the metabolic expression of the fennel varieties grown in different seasons.

Keywords: 1H‐NMR and HRMS‐based metabolomics; Foeniculum vulgare; multivariate data analysis; vegetable waste.

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Figures

FIGURE 1
FIGURE 1
Profiles of three varieties of Foeniculum vulgare little stem and leaf extracts registered by LC‐ESI/LTQ/Orbitrap/MS/MS analysis (negative ion mode).
FIGURE 2
FIGURE 2
PCA scores (A) and loadings (B) scatter plot of secondary metabolites generated from the LC‐ESI‐LTQ‐Orbitrap‐MS pseudo‐targeted analysis of little stem and leaf extracts of fennel waste byproducts.
FIGURE 3
FIGURE 3
1H‐NMR spectrum of Preludio Foeniculum vulgare leaf extract.
FIGURE 4
FIGURE 4
PCA score scatter plot (A) and loading scatter plot (B) of primary metabolites in fennel extracts (little stems and leaf) by 1H‐NMR Pseudo‐Targeted Multivariate Statistical Analysis.
FIGURE 5
FIGURE 5
PCA scores (A) and loadings (B) scatter plots of 1H‐NMR spectral data for primary metabolites in fennel leaf extracts determined by pseudo‐targeted multivariate statistical analysis.
FIGURE 6
FIGURE 6
PLS‐DA scores scatter plot (A) and loading scatter plot (B) of MS‐NMR fused datasets. Primary metabolites in red and secondary metabolites in black.
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