Metabolomics, the comprehensive analysis of low-molecular-weight metabolites (typically below 1500 DA) in biological systems, relies heavily on mass spectrometry (MS) and nuclear magnetic resonance (NMR) spectroscopy. Each technique has inherent strengths and weaknesses. MS offers high sensitivity and is commonly coupled with chromatography to analyze complex matrices, yet it is destructive, has limited reproducibility, and provides limited structural information. NMR, while less sensitive, is non-destructive and enables structural elucidation and precise quantification. Recent studies increasingly employ data fusion (DF) strategies to combine the complementary information from NMR and MS, aiming to enhance metabolomic analyses. This review summarizes DF methodologies using NMR and MS data in metabolomics studies over the past decade. A comprehensive search of SciFinder, Scopus, and Clarivate Web of Science databases was conducted to analyze fusion techniques, methods, and statistical models. The review emphasizes the growing importance of DF in metabolomics, showing its capacity to provide a more comprehensive view of biochemical processes across diverse biological systems, including clinical, plant, and food matrices.

Resveratrol is a naturally occurring phenolic compound found in foods like grapes, berries, and peanuts. It has attracted substantial interest for its potential human health benefits, including antioxidant and anti-inflammatory effects. Research indicates that resveratrol may contribute to cardiovascular health, protect cognitive function, and exhibit anticancer properties. However, various factors such as pH levels, exposure to light, specific enzymes, and metal ions can alter its chemical structure, affecting its biological activities. These reactions can lead to the formation of different metabolites and polymers, which may affect the stability and bioactivity of resveratrol. This review examines the transformation of resveratrol from its natural sources to its consumption by humans. Additionally, we explore the biological activities of the resulting compounds of resveratrol transformations.

Resveratrol and its glucoside, piceid, are the primary stilbenes present in wine. These compounds are well known for their pharmaceutical properties. However, these compounds can undergo chemical transformations in wines, such as polymerization in the presence of metallic reagents. This study investigates the oxidative coupling of resveratrol and piceid to form dimers, including δ-viniferin and δ-viniferin-diglucoside. These dimers were synthesized using silver acetate. The formation of these stilbenes was monitored in wine model solutions and red wines. The results indicated that resveratrol and piceid underwent transformation during heat treatment, forming their respective dimers. The polymerization of both compounds is temperature-dependent, with higher conversion rates at elevated temperatures. Notably, piceid was more reactive than resveratrol in wine. Finally, the anti-inflammatory effects of these compounds were evaluated on the RAW 264.7 macrophage cell line.

A rare dihydoxyflavan-epicatechin proanthocyanidin, entcassiflavan-(4β→8)-epicatechin, was isolated from Dalbergia monetaria, a plant widely used by traditional people from the Amazon to treat urinary tract infections. The constitution and relative configuration of the compound were elucidated by HR-MS and detailed 1D- and 2D-NMR measurements. By comparing the experimental electronic circular dichroism (ECD) spectrum with the calculated ECD spectra of all 16 possible isomers, the absolute configuration, the interflavan linkage, and the atropisomers could be determined.

In this study, bioassay‐guided fractionation of the ethanolic extract from Eremanthus crotonoides leaves enabled the isolation of two bioactive sesquiterpene lactones, centratherin and goyazensolide, which were evaluated for their antimycobacterial and anti‐inflammatory properties. The extract exhibited MIC ₅₀ values of 42.0 ± 0.1 and 39.0 ± 0.1 µg/mL against Mycobacterium tuberculosis H ₃₇ Rv and the hypervirulent M299 strain, respectively, along with notable NO inhibitory activity. Fractionation by high‐speed countercurrent chromatography (HSCCC), followed by purification also employing HSCCC, yielded centratherin and goyazensolide, representing the first report of their isolation from E. crotonoides using this technique. These compounds showed potent activity against H ₃₇ Rv (MIC ₅₀ = 1.5 ± 0.1 and 2.5 ± 0.1 µg/mL, respectively) but markedly reduced activity against M299 (MIC ₅₀ = 92.7 ± 0.1 and 90.6 ± 0.1 µg/mL). Both compounds also exhibited IC ₅₀ values of 0.45 ± 0.1 and 0.34 ± 0.1 µg/mL for nitric oxide inhibition, with low cytotoxicity. Collectively, these findings provide the first evidence of the antimycobacterial potential of these compounds against virulent M. tuberculosis strains and underscore their promise as potential drug candidates.