Multiplatform Metabolomics for the Design and Characterization of a Mediterranean Plant-Based Lyophilized Extract from Agro-Industrial By-Products

Agri-food industries generate substantial quantities of side streams such as peels, pods, seeds, and leaves. Traditionally regarded as waste, these by-products are now recognized as rich sources of bioactive compounds—often at higher concentrations than those found in edible plant parts. Their recovery reduces environmental impact and enables the development of sustainable ingredients for food and health-related applications, in line with circular economy principles. This study presents the design and metabolomic characterization of a novel lyophilized extract derived from Mediterranean and locally cultivated plant-based by-products (named BIOMEDEX), including orange, lemon, olive leaves, carob pods, shiitake mushroom, and salicornia. A multiplatform metabolomics approach was applied, combining high-resolution UPLC-QTOF-MS, UHPLC-QTRAP-MS, SPME-GC-MS, and 1H-NMR spectroscopy to comprehensively profile phytochemicals, nutrients, and volatile organic compounds (VOCs). The extract was found to be rich in flavonoids (e.g., luteolin-7-O-glucoside, hesperidin, eriocitrin), phenolic acids, amino acids (e.g., proline, GABA), organic acids (e.g., malic and citric acid), and over 40 VOCs associated with antioxidant and sensory functions. Notably, complementary enrichment of these compounds suggest potential health-promoting properties. These findings support the formulation of a multifunctional plant-based ingredient and reinforce the value of integrating diverse agro-industrial by-products into sustainable, health-oriented food solutions.