Monoterpenoids isomerization and cyclization processes in Gewürztraminer wines: A kinetic investigation at different pH and temperatures.

The evolution of volatile compounds in wine comprises several acid-catalyzed reactions, such as glycosides precursors' hydrolysis and rearrangements, and significantly contributes to its sensory qualities, even after prolonged aging. The aim of this work was to use a well-defined experimental design and to examine how terpenoids in Gewürztraminer wine change over time when subjected to different temperatures and pH levels over two weeks. A theoretically-based approach was used, involving the definition of a complete system of ordinary differential equations (ODE) with well-established boundary conditions (initial concentration of reactants/products), using Kinetiscope, a kinetic simulation software.

Exploring Putative Kokumi Oligopeptides in Classic Sparkling Wines with a UHPLC-ESI-MS/MS Targeted Protocol.

Some oligopeptides can impart kokumi flavor to foods and beverages, a topic still not addressed in wine. A targeted ultra-high performance liquid-chromatography-mass spectrometry (UHPLC-MS/MS) metabolomics method capable of quantifying both amino acids and oligopeptides in wines was therefore developed and validated, confirming the presence of 50 oligopeptides in wine, most of which had been previously unexplored. In silico screening of the affinity of these oligopeptides to interact with CaSR, the protein necessary to activate kokumi sensations, highlighted 8 dipeptides and 3 tripeptides as putative kokumi compounds.

Comprehensive analysis of colloid formation, distribution, and properties of monovarietal red wines using asymmetrical flow field-flow fractionation with online multidetection.

Red wine colloids, crucial in determining wine quality and stability, are understudied due to inadequate techniques for studying them effectively in the natural wine environment. Recently, Asymmetrical Flow Field-flow Fractionation (AF4) with online multidetection has emerged as a novel analytical tool for quantifying, fractionating, and characterizing red wine colloids in their native state. This study aimed to characterize the colloidal composition of 24 monovarietal Italian wines produced without filtration, oak contact, fining treatments, malolactic fermentation, macerating enzymes or ageing on yeast lees.

Symposium Introduction: Recent Progress and Current Challenges in Wine Analytical Sciences.

Oenology, behind the more visible social and convivial aspects associated with the consumption of wine and spirits, has great complexity due to the coexistence of countless different styles of artisanal products, linked to the diversity of places grapes are grown and wine is produced, and its global distribution. Premium wine is not a commodity. To scientifically support such complexity requires an extremely rigorous and diversified scientific expertise, capable of supporting the continuous improvement of processes and products that are developed, evaluated, and offered on international markets.

Exploring UPLC-QTOF-MS-based targeted and untargeted approaches for understanding wine mouthfeel: A sensometabolomic approach.

This study aimed to establish relationships between wine composition and in-mouth sensory properties using a sensometabolomic approach. Forty-two red wines were sensorially assessed and chemically characterised using UPLC-QTOF-MS for targeted and untargeted analyses. Suitable partial least squares regression models were obtained for "dry", "sour", "oily", "prickly", and "unctuous".

An Investigation into the Relationship of Circulating Gut Microbiome Molecules and Inflammatory Markers with the Risk of Incident Dementia in Later Life.

The gut microbiome may be involved in the occurrence of dementia primarily through the molecular mechanisms of producing bioactive molecules and promoting inflammation. Epidemiological evidence linking gut microbiome molecules and inflammatory markers to dementia risk has been mixed, and the intricate interplay between these groups of biomarkers suggests that their joint investigation in the context of dementia is warranted. We aimed to simultaneously investigate the association of circulating levels of selected gut microbiome molecules and inflammatory markers with dementia risk.

Innovative thermally assisted on-line solid phase extraction-reversed phase liquid chromatography applied to targeted nutrimetabolomics in human biofluids.

In this study, the use of thermal desorption in on-line solid phase extraction coupled with reversed phase liquid chromatography (on-line SPE-LC) was for the first time proposed and demonstrated for the desorption of analytes strongly retained by multiple interaction polymeric sorbents. In detail, this analytical strategy was applied to the on-line SPE-LC targeted analysis of a model set of 34 human gut metabolites characterized by heterogeneous physicochemical properties (i.e.

Impact of meteorological conditions, canopy shading and leaf removal on yield, must quality, and norisoprenoid compounds content in Franciacorta sparkling wine.

Climate change is a major concern in agriculture; in grapevine production, climate change can affect yield and wine quality as they depend on the complex interactions between weather, plant material, and viticultural techniques. Wine characteristics are strongly influenced by microclimate of the canopy affecting primary and secondary metabolites of the grapevine. Air temperature and water availability can influence sugar and acid concentration in grapes and relative wines, and their content of volatile compounds such as norisoprenoids.

Development of a Fully Automated Method HS-SPME-GC-MS/MS for the Determination of Odor-Active Carbonyls in Wines: a "Green" Approach to Improve Robustness and Productivity in the Oenological Analytical Chemistry.

The aim of this study was the optimization and validation of a green, robust, and comprehensive method for the determination of volatile carbonyl compounds (VCCs) in wines that could be added as a new quality control tool for the evaluation of a complete fermentation, correct winemaking style, and proper bottling and storage. A HS-SPME-GC-MS/MS method was optimized and automated using the autosampler to improve overall performance. A solvent-less technique and a strong minimization of all volumes were implemented to comply with the green analytical chemistry principles.

Combining Feature-Based Molecular Networking and Contextual Mass Spectral Libraries to Decipher Nutrimetabolomics Profiles.

Untargeted metabolomics approaches deal with complex data hindering structural information for the comprehensive analysis of unknown metabolite features. We investigated the metabolite discovery capacity and the possible extension of the annotation coverage of the Feature-Based Molecular Networking (FBMN) approach by adding two novel nutritionally-relevant (contextual) mass spectral libraries to the existing public ones, as compared to widely-used open-source annotation protocols. Two contextual mass spectral libraries in positive and negative ionization mode of ~300 reference molecules relevant for plant-based nutrikinetic studies were created and made publicly available through the GNPS platform.

Feed your microbes to deal with stress: a psychobiotic diet impacts microbial stability and perceived stress in a healthy adult population.

The impact of diet on the microbiota composition and the role of diet in supporting optimal mental health have received much attention in the last decade. However, whether whole dietary approaches can exert psychobiotic effects is largely understudied. Thus, we investigated the influence of a psychobiotic diet (high in prebiotic and fermented foods) on the microbial profile and function as well as on mental health outcomes in a healthy human population.

Flint glass bottles cause white wine aroma identity degradation.

Due to marketing recommendations, white wines are often bottled in flint glass to improve aesthetics and showcase wine color. Although this practice is known to cause a wine fault, the influence of light on the fruity and flowery aromatic profile of wine is unknown. The aim of this study was to investigate the changes to the white wine volatilome under typical supermarket shelf conditions, using 1,052 bottles of 24 white wines.

The contribution of varietal thiols in the diverse aroma of Italian monovarietal white wines.

Thanks to their low odor detection thresholds, free varietal thiols (VTs) play a key role in the primary aroma of wines, to which they confer an intense scent reminiscent of box tree, grapefruit, citrus fruits, passionfruit and cat urine odor. Excluding wines from a few VT-rich grapevine cultivars, VTs appear to be present in most cultivars at trace levels, although a comprehensive dataset is still missing. The low concentration of VTs combined with their high reactivity and matrix complexity make their determination in wines a challenging task.

Metabolomic Characterization of Pigmented and Non-Pigmented Potato Cultivars Using a Joint and Individual Variation Explained (JIVE).

Potatoes ( L.) are one of the most valuable agricultural crops, and the flesh of these tubers provides various classes of healthy compounds important for human nutrition. This work presents the results of a joint analysis of different chemical classes of compounds which provided insights on the metabolic characterization of pigmented and non-pigmented potato varieties collected from Italy.

Phenolic Compound Profile by UPLC-MS/MS and Encapsulation with Chitosan of L. Fruit Peel Extract from Cerrado Hotspot-Brazil.

Taperebá ( L.) is a native species of the Brazilian Cerrado that has shown important characteristics such as a significant phenolic compound content and biological activities. The present study aimed to characterize the phenolic compound profile and antioxidant activity in taperebá peel extract, as well as microencapsulating the extract with chitosan and evaluating the stability of the microparticles.

Metabolomic Workflow for the Accurate and High-Throughput Exploration of the Pathways of Tryptophan, Tyrosine, Phenylalanine, and Branched-Chain Amino Acids in Human Biofluids.

The modulation of host and dietary metabolites by gut microbiota (GM) is important for maintaining correct host physiology and in the onset of various pathologies. An ultrahigh-performance liquid chromatography-electrospray ionization-tandem mass spectrometry method was developed for the targeted quantitation in human plasma, serum, and urine of 89 metabolites resulting from human-GM cometabolism of dietary essential amino acids tryptophan, tyrosine, and phenylalanine as well as branched-chain amino acids. Ninety-six-well plate hybrid-SPE enables fast clean-up of plasma and serum.

Branched-Chain and Aromatic Amino Acids Related to Visceral Adipose Tissue Impact Metabolic Health Risk Markers.

Context: Visceral (VAT) and subcutaneous adipose tissue (SAT) function as endocrine organs capable of influencing metabolic health across adiposity levels.

Objective: We aimed to investigate whether metabolites associated with VAT and SAT impact metabolic health through metabolite concentrations.

Methods: Analyses are based on 1790 participants from the population-based Rhineland Study.

Impact of wheat aleurone on biomarkers of cardiovascular disease, gut microbiota and metabolites in adults with high body mass index: a double-blind, placebo-controlled, randomized clinical trial.

Purpose: Aleurone is a cereal bran fraction containing a variety of beneficial nutrients including polyphenols, fibers, minerals and vitamins. Animal and human studies support the beneficial role of aleurone consumption in reducing cardiovascular disease (CVD) risk. Gut microbiota fiber fermentation, polyphenol metabolism and betaine/choline metabolism may in part contribute to the physiological effects of aleurone.

Measurement of the Effect of Accelerated Aging on the Aromatic Compounds of Gewürztraminer and Teroldego Wines, Using a SPE-GC-MS/MS Protocol.

Knowing in detail how the white and red wine aroma compounds behave under various storage conditions and especially at high temperature is important in order to understand the changes occurring to their sensorial character during the shelf life. The initial aim of this work was to develop and validate a fast, modern, robust, and comprehensive protocol for the quantification of 64 primary, secondary, and tertiary volatile compounds by using solid-phase extraction (SPE) cartridges in sample preparation and fast GC-MS/MS (gas chromatography-tandem mass spectrometry assay) in analysis. The protocol was applied to a study of the behavior of seven Gewürztraminer and seven Teroldego wines stored in anoxia at 50 °C for 2.

Application of a Target-Guided Data Processing Approach in Saturated Peak Correction of GC×GC Analysis.

Detector and column saturations are problematic in comprehensive two-dimensional gas chromatography (GC×GC) data analysis. This limits the application of GC×GC in metabolomics research. To address the problems caused by detector and column saturations, we propose a two-stage data processing strategy that will incorporate a targeted data processing and cleaning approach upstream of the "standard" untargeted analysis.

Comparison of chemometric strategies for potential exposure marker discovery and false-positive reduction in untargeted metabolomics: application to the serum analysis by LC-HRMS after intake of Vaccinium fruit supplements.

Untargeted liquid chromatographic-high-resolution mass spectrometric (LC-HRMS) metabolomics for potential exposure marker (PEM) discovery in nutrikinetic studies generates complex outputs. The correct selection of statistically significant PEMs is a crucial analytical step for understanding nutrition-health interactions. Hence, in this paper, different chemometric selection workflows for PEM discovery, using multivariate or univariate parametric or non-parametric data analyses, were comparatively tested and evaluated.

Special Issue on Flavour Volatiles of Wine.

The perception of wine flavour and aroma is the result of several interactions between a large number of chemical compounds and sensory receptors [...

Association between the indole pathway of tryptophan metabolism and subclinical depressive symptoms in obesity: a preliminary study.

Converging data support the role of chronic low-grade inflammation in depressive symptomatology in obesity. One mechanism likely to be involved relies on the effects of inflammation on tryptophan (TRP) metabolism. While recent data document alterations in the indole pathway of TRP metabolism in obesity, the relevance of this mechanism to obesity-related depressive symptoms has not been investigated.