Impact of semolina-barley mixture on the volatolomic profile of dough and pasta: characterization by a multivariate chemometric approach.

BACKGROUND: Barley flour, known to be rich in various phytochemicals, has been demonstrated to improve the technological and nutritional properties of pasta; however, its volatile profile, on which its aromatic properties depend, also plays an important role in the acceptance of barley-enriched pasta. In the present work, volatile organic compounds (VOCs) of semolina doughs enriched with different percentages of barley and of the related pasta were characterized by solid phase micro-extraction (HS-SPME) coupled to gas-chromatography/mass spectrometry (GC-MS), and evaluated using a multivariate statistical approach, including principal component analysis (PCA), cluster heatmaps, Pearson's and Spearman's correlations, and partial least squares correlation (PLSC). RESULTS: The effects of single raw materials, and their interactions, were studied to establish their importance in the volatile profile of the samples, and the correlation between the dough VOCs and the processed product VOCs was assessed. The presence of barley flour markedly affected the volatile profile in comparison with the dough obtained with only durum wheat. For alcohols, esters, terpenes, and some aldehydes there was a clear correlation with the percentage of barley. For some of the VOCs, on the other hand, a strong dependence on the ingredients interaction effect due to the mixing stage has been demonstrated. CONCLUSION: The heatmaps allowed a good graphical visualization of the relationship between molecules and barley percentage, offering the possibility to select the best one according to the desired volatolomic footprint. Pasta with 40% of barley was demonstrated to give pasta with the most complex volatile profile. © 2024 Society of Chemical Industry.

Influence of the production technology on kefir characteristics: Evaluation of microbiological aspects and profiling of phosphopeptides by LC-ESI-QTOF-MS/MS.

The influence of production technology, namely, temperature, pH and 2-step fermentation (back-slopping approach), on the microbiological characteristics and on the phosphopeptide profile of kefir obtained with kefir grains was investigated. The growth of yeasts, lactic acid bacteria (LAB) and acetic acetic bacteria (AAB) in both grains and kefir was affected by the incubation temperature and by the use of back-slopping. In particular, at 25 °C the microbiota of kefir grains was mainly composed by LAB and yeasts, while at 18 °C yeasts represented the dominant group in kefir. Back-slopping at 25 °C determined a significant increase of AAB. A comprehensive characterization of potentially bioactive peptides, including caseino-phosphopeptides (CPPs), was performed, for the first time, in kefir obtained with kefir grains, using preliminary enrichment on hydroxyapatite followed by dephosphorylation and analysis by Liquid Chromatography-ElectroSpray Ionization-Quadrupole-Time of Flight-tandem mass spectrometry (LC-ESI-QTOF-MS/MS). As a result, seventy-three phosphopeptides, mostly arising from caseins (79% ß-casein, 8% αs1-casein and 9% αs2-casein) and all including from three to five serine residues in their sequences, were identified. Seventy-one of them showed the typical motif "SerP-SerP-SerP-Glu-Glu", which is crucial for the ability of caseins to bind to minerals. Several peptides were observed, for the first time, from the 1-40 region of ß-casein. As for the effect of production technology, phosphopeptide profiles of kefirs obtained at 25 °C and 18 °C were very similar, whereas kefir produced under acidic conditions showed a predominance of smaller peptides, suggesting a higher level of proteolysis. Conversely, kefir obtained through back-slopping at 25 °C contained longer peptides, thus indicating a lower proteolytic activity and a poor reproducibility in the kefir phosphopeptide profile occurring when grains are reused.

Profiling of Multiphosphorylated Peptides in Kefir and Their Release During Simulated Gastrointestinal Digestion.

Casein phosphopeptides are multiphosphorylated milk peptides, which can have anticariogenic activity and improve mineral absorption by binding bivalent metal ions. The present study investigated phosphopeptides in kefir because fermentation may lead to their enhanced release from milk proteins. After selective enrichment by hydroxyapatite extraction, phosphopeptides and their phosphorylation degree were identified by matrix-assisted desorption/ionization time-of-flight mass spectrometry (MALDI-TOF-MS) before and after enzymatic dephosphorylation. Peptide structures were determined by ultrahigh-performance liquid chromatography coupled to electrospray ionization tandem mass spectrometry (UHPLC-ESI-MS/MS) revealing 27 phosphopeptides in kefir, including nine peptides containing the motif pSpSpSEE, which binds minerals most efficiently. The majority (18) of phosphopeptides were derived from ß-casein, but only three were derived from the most abundant milk protein αs1-casein. After simulated gastrointestinal digestion, MALDI-TOF-MS analysis detected eight putative phosphopeptides in kefir, four of which were assigned by UHPLC-ESI-MS/MS to αs2-casein124-133, αs2-casein137-146, ß-casein30-40, and κ-casein147-161. These results indicate that kefir is a good dietary source of multiphosphorylated peptides.