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Sour meat is a highly appreciated traditional fermented product, mainly from the Guizhou, Yunnan, and Hunan provinces. The flavor profiles of sour meat from goose and pork were evaluated using gas chromatography–ion mobility spectrometry (GC–IMS) combined with an electronic nose (E-nose) and tongue (E-tongue). A total of 94 volatile compounds were characterized in fermented sour meat from both pork and goose using GC–IMS. A data-mining protocol based on univariate and multivariate analyses revealed that the source of the raw meat plays a crucial role in the formation of flavor compounds during the fermentation process. In detail, sour meat from pork contained higher levels of hexyl acetate, sotolon, heptyl acetate, butyl propanoate, hexanal, and 2-acetylpyrrole than sour goose meat. In parallel, sour meat from goose showed higher levels of 4-methyl-3-penten-2-one, n-butyl lactate, 2-butanol, (E)-2-nonenal, and decalin than sour pork. In terms of the odor and taste response values obtained by the E-nose and E-tongue, a robust principal component model (RPCA) could effectively differentiate sour meat from the two sources. The present work could provide references to investigate the flavor profiles of traditional sour meat products fermented from different raw meats and offer opportunities for a rapid identification method based on flavor profiles.

Background: The complexity of food structure is such as to hinder its inclusion in mathematical models predicting food properties and transformations, although a considerable impulse is being determined by using artificial intelligence. As a matter of fact, food definition currently neglects the structural description, even in those fields for which structure is demonstrated to have a decisive role, such as nutrition. Scope and approach: This review aims to analyse the current knowledge about the structure of foods and its potential use to numerically define the sensory and nutritional quality, as well as the stability properties. Starting from this information, a possible methodology is explored to build, even in an automated way, mathematical models for simulating and predicting the properties of food. A model pipeline has been proposed and applied to pasta, in particular exploiting the description of the structural changes occurring upon cooking. Key findings and conclusions: Foods may be designed in silico, based on automated pipelines for direct extraction of information on rheological and sensory properties as derived from structure images and from data on the dynamic state of the water. The ultimate goal of these approaches is to make more limited use of expensive and time-consuming experiments on physically prepared foods to get to use digital twins of foods designed in the laboratory.

A variety of metabolites contribute to the freshness and taste characteristics of seafood. This study investigated the effects of high hydrostatic pressure (HHP; 400, 500, and 600 MPa) for 10 min) on the metabolome of striped prawn during chilled storage, in relation to microorganisms’ development. All treated samples showed lower viable counts throughout storage compared to the untreated counterparts. The limit of acceptability from a microbiological point of view was extended from 9 to as many as 35 days by 600 MPa treatment. Metabolites were quantified by 1H-NMR through a targeted-untargeted metabolomic approach. Molecules linked to nucleotides’ degradation and amines’ anabolism suggested an overall freshness improvement granted by HHP. Notably, putrescine and cadaverine were detected only in untreated prawn samples, suggesting the inactivation of degradative enzymes by HHP. The concentration of molecules that influence umami perception was significantly elevated by HHP, while in untreated samples, the concentration of molecules contributing to a sour taste gradually increased during storage. As metabolomics was applied in its untargeted form, it allowed us to follow the overall set of metabolites related to HHP processing and storage, thus providing novel insights into the freshness and taste quality of striped prawn as affected by high hydrostatic pressure.

A variety of metabolites contribute to the freshness and taste characteristics of seafood. This study investigated the effects of high hydrostatic pressure (HHP; 400, 500, and 600 MPa) for 10 min) on the metabolome of striped prawn during chilled storage, in relation to microorganisms' development. All treated samples showed lower viable counts throughout storage compared to the untreated counterparts. The limit of acceptability from a microbiological point of view was extended from 9 to as many as 35 days by 600 MPa treatment. Metabolites were quantified by

The ability of nuclear magnetic resonance spectroscopy (NMR) to extract chemical information from a complex mixture is invaluable and widely described in literature. Many applications of this technique in the foodomics field have highlighted how NMR could characterize food matrices, and it can be used all along its “life chain”: from farm to fork and from fork to the digestion process. The aim of this review is an attempt to show, firstly, the potential of NMR as a method based on green chemistry in sample preparation, and then in characterizing the nutritional qualities of agri-food products (with particular attention to their by-products) from a sustainable point of view. For instance, the NMR-based metabolomics approach has been used to enhance the nutritional properties of bio-products waste naturally rich in antioxidants and prebiotics. The reintroduction of these products in the food supply chain as functional foods or ingredients answers and satisfies the consumer demand for more food with high nutritional quality and more respect for the environment.

International audience; Effects of fertilization practices, mineral (M) and organo-mineral (OM), on molecular composition of Nero di Troia cultivar grape berries was studied using conventional chemical analysis, Magnetic Resonance Imaging (MRI) and 1H NMR spectroscopy on intact berries and extracts, respectively, and through analysis of yeast species developed on grape skins. Plants vegetative status did not differ between the two fertilization practices, whereas some grape juice chemical characteristics differed in fertilized grapes. MRI provided information on grape berries morphology through weighted images depending on spin-spin (T2) and spin-lattice (T1) relaxation times. T1 values were the highest in OM grape berries. 1H NMR metabolic profile, combined with chemometric analysis, evidenced significant differences for some metabolites (valine, leucine, isoleucine, proline, and malic acid). Furthermore, higher frequency of yeasts genus Starmella sp., isolated from OM grape berries contributed to reinforcing the found results on the physiological response of wine grape Nero di Troia to fertilization.

The chemical analysis that is frequently employed for the evaluation of the freshness of fish includes (i) the quantification of trimethylamine (TMA) and (ii) the estimation of the K-Index, based on the ratio between the concentrations of adenosine triphosphate (ATP) and its breakdown products. TMA is quantified using a colorimetric reference method (AOAC), while the K-Index is usually determined by HPLC. The present work proposes a method for the above freshness biomarkers based on HR 1H-NMR as an alternative method able to assess both indexes simultaneously on aqueous fish extracts. To validate the proposed 1H-NMR method, a large set of validation checks has been addressed, such as accuracy, precision, specificity, limits of detection, linearity, and range of linearity and quantification according to EuroChem guidelines. The results show that the methodology satisfies all the validation requirements at the same level as the most frequently used methods, with the advantage of being faster and more repeatable, avoiding the use of solvents, such as toluene and formaldehyde, or dangerous reagents such as picric acid.

Curing salts composed of mixtures of nitrates and nitrites are preservatives widely used in processed meats. Despite many desirable technological effects, their use in meat products has been linked to methemoglobinemia and the formation of nitrosamines. Therefore, an increasing “anti-nitrite feeling” has grown among meat consumers, who search for clean label products. In this view, the use of natural compounds as alternatives represents a challenge for the meat industry. Processing (including formulation and fermentation) induces chemical or physical changes of food matrix that can modify the bioaccessibility of nutrients and the formation of peptides, impacting on the real nutritional value of food. In this study we investigated the effect of nitrate/nitrite replacement with a combination of polyphenols, ascorbate, and nitrate-reducing microbial starter cultures on the bioaccessibility of fatty acids, the hydrolysis of proteins and the release of bioactive peptides after in vitro digestion. Moreover, digested salami formulations were investigated for their impacts on cell proliferation and genotoxicity in the human intestinal cellular model (HT-29 cell line). The results indicated that a replacement of synthetic nitrates/nitrites with natural additives can represent a promising strategy to develop innovative “clean label” salamis without negatively affecting their nutritional value.

Fish freshness and quality can be measured through several indices that can be both chemical and physical. The storage temperature and the time that elapses following the catching of the fish are fundamental parameters that define and influence both the degree of freshness and nutritional quality. Moreover, they particularly effect the kind of fish we considered. In this research, it was observed how different temperatures of storage and shelf-life (+4 °C and 0 °C) may affect the metabolic profile of red mullet (Mullus barbatus) and bogue (Boops boops) fish samples over time, specifically observing the alteration of freshness and quality. In particular, a High-Resolution Nuclear Magnetic Resonance (HR-NMR)-based metabolomics approach was applied to study the metabolic profile changes that occur in fish spoilage. The HR-NMR spectroscopy data were useful for calculating a kinetic model that was able to predict the evolution of different compounds related to fish freshness, such as trimethylamine (TMA-N) and adenosine-5′-triphosphate (ATP) catabolites for the K-index. Furthermore, NMR in combination with chemometrics allowed us to estimate a further kinetic model able to represent the spoilage evolution by considering the entire metabolome. In this way, it was also possible to detect further biomarkers characterizing the freshness and quality status of both red mullets and bogues.

Reducing the salt content in food is an important nutritional strategy for decreasing the risk of diet-related diseases. This strategy is particularly effective when applied to highly appreciated food having good nutritional characteristics, if it does not impact either upon sensory or nutritional properties of the final product. This work aimed at evaluating if the reduction of salt content by decreasing the brine soaking time modifies fatty acid and protein bioaccessibility and bioactive peptide formation in a 30-month-ripened Parmigiano Reggiano cheese (PRC). Hence, conventional and hyposodic PRC underwent in vitro static gastrointestinal digestion, and fatty acid and protein bioaccessibility were assessed. The release of peptide sequences during digestion was followed by LC–HRMS, and bioactive peptides were identified using a bioinformatic approach. At the end of digestion, fatty acid and protein bioaccessibility were similar in conventional and hyposodic PRC, but most of the bioactive peptides, mainly the ACE-inhibitors, were present in higher concentrations in the low-salt cheese. Considering that the sensory profiles were already evaluated as remarkably similar in conventional and hyposodic PRC, our results confirmed that shortening brine soaking time represents a promising strategy to reduce salt content in PRC.

Although epidemiological studies indicate a strong correlation between high sugar intake and metabolic diseases, the biological mechanisms underlying this link are still controversial. To further examine the modification and crosstalk occurring in enterocyte metabolism during sugar absorption, in this study we evaluate the diffusion and intestinal metabolism of glucose, fructose and sucrose, which were supplemented in equimolar concentration to Caco-2 cells grown on polyester membrane inserts. At different time points after supplementation, changes in metabolite concentration were evaluated in the apical and basolateral chambers by nuclear magnetic resonance (NMR) and gas-chromatography (GC). Sucrose was only minimally hydrolyzed by Caco-2 cells. Upon supplementation, we observed a faster uptake of fructose than glucose, the pentose sugar being also faster catabolized. Monosaccharide absorption was concomitant to the synthesis/transport of other metabolites, which occurred differently in glucose and fructose supplemented cells. Our results confirm the prominent role of intestinal cells in fructose metabolism and clearance after absorption, representing a further step forward in the understanding of the role of dietary sugars. Future research, including targeted analysis on specific transporters/enzymes and the use of labeled substrates, will be helpful to confirm the present results and their interpretation.

The addition of frozen curd (FC) during the production process of “Mozzarella di Bufala Campana”, an Italian cheese with Protected Designation of Origin (PDO), is a common fraud not involving modifications of the chemical composition in the final product. Its detection cannot thus be easily obtained by common analytical methods, which are targeted at changes in concentrations of diagnostic chemical species. In this work, the possibility of spotting this fraud by focusing on the modifications of the supramolecular structure of the food matrix, detected by time domain nuclear magnetic resonance (TD-NMR) experiments, was investigated. Cheese samples were manufactured in triplicate, according to the PDO disciplinary of production, except for using variable amounts of FC (i.e., 0, 15, 30, and 50% w/w). Relaxation data were analysed through different approaches: (i) Discrete multi-exponential fitting, (ii) continuous Laplace inverse fitting, and (iii) chemometrics approach. The strategy that lead to best detection results was the chemometrics analysis of raw Carr-Purcell-Meiboom-Gill (CPMG) decays, allowing to discriminate between compliant and adulterated samples, with as low as 15% of FC addition. The strategy is based on the use of machine learning for projection on latent structures of raw CPMG data and classification tasks for fraud detection, using quadratic discriminant analysis. By coupling TD-NMR raw decays with machine learning, this work opens the way to set up a system for detecting common food frauds modifying the matrix structure, for which no official authentication methods are yet available.

Although targeting of cell metabolism is a promising therapeutic strategy in acute myeloid leukemia (AML), metabolic dependencies are largely unexplored. We aimed to classify AML patients based on their metabolic landscape and map connections between metabolic and genomic profiles. Combined serum and urine metabolomics improved AML characterization compared with individual biofluid analysis. At intracellular level, AML displayed dysregulated amino acid, nucleotide, lipid, and bioenergetic metabolism. The integration of intracellular and biofluid metabolomics provided a map of alterations in the metabolism of polyamine, purine, keton bodies and polyunsaturated fatty acids and tricarboxylic acid cycle. The intracellular metabolome distinguished three AML clusters, correlating with distinct genomic profiles: NPM1-mutated(mut), chromatin/spliceosome-mut and TP53-mut/aneuploid AML that were confirmed by biofluid analysis. Interestingly, integrated genomic-metabolic profiles defined two subgroups of NPM1-mut AML. One was enriched for mutations in cohesin/DNA damage-related genes (NPM1/cohesin-mut AML) and showed increased serum choline + trimethylamine-N-oxide and leucine, higher mutation load, transcriptomic signatures of reduced inflammatory status and better ex-vivo response to EGFR and MET inhibition. The transcriptional differences of enzyme-encoding genes between NPM1/cohesin-mut and NPM1-mut allowed in silico modeling of intracellular metabolic perturbations. This approach predicted alterations in NAD and purine metabolism in NPM1/cohesin-mut AML that suggest potential vulnerabilities, worthy of being therapeutically explored.

The life sciences are currently being transformed by an unprecedented wave of developments in molecular analysis, which include important advances in instrumental analysis as well as biocomputing. In light of the central role played by metabolism in nutrition, metabolomics is rapidly being established as a key analytical tool in human nutritional studies. Consequently, an increasing number of nutritionists integrate metabolomics into their study designs. Within this dynamic landscape, the potential of nutritional metabolomics (nutrimetabolomics) to be translated into a science, which can impact on health policies, still needs to be realized. A key element to reach this goal is the ability of the research community to join, to collectively make the best use of the potential offered by nutritional metabolomics. This article, therefore, provides a methodological description of nutritional metabolomics that reflects on the state‐of‐the‐art techniques used in the laboratories of the Food Biomarker Alliance (funded by the European Joint Programming Initiative "A Healthy Diet for a Healthy Life" (JPI HDHL)) as well as points of reflections to harmonize this field. It is not intended to be exhaustive but rather to present a pragmatic guidance on metabolomic methodologies, providing readers with useful "tips and tricks" along the analytical workflow.

The balsamic vinegar of Modena (BVM), a food specialty under the European Protected Geographical Indication system, is made from grape must blended with wine vinegar exclusively in the Italian province of Modena or Reggio Emilia. Vinegar is associated to an improved digestive function and glycemic response to carbohydrate-rich meals, appetite stimulation, and reduction of hyperlipidemia and obesity. Although many of these effects are attributed to the high concentration of bioactive molecules, the modulation of digestive enzymes activity could have a role. The aim of this study was to investigate the effect of BVM on the digestibility and component release of three foods that are often seasoned with this dressing but have different composition: Parmigiano Reggiano cheese, Bresaola (cured meat), and boiled potatoes. BVM modulated the protein digestion of protein-rich foods (cheese and cured meat) in a matrix-dependent manner, and the BVM effect was mainly related to the inhibition of pepsin in the gastric phase. In the starch-rich food (boiled potatoes), the most impressive effect of BVM was the lower release of anomeric and total carbohydrates, which was consistent with the observed reduction of pancreatic amylase activity. The present investigation shed a new light on the impact of BVM on the digestion process.

Despite their high nutritional value, high quantities of fish caught in the Adriatic Sea are underused or discarded for their insignificant economic value. Mechanical separation of flesh represents an opportunity for developing innovative semi-finished products, even if it can promote an increased quality degradation rate. The aim of this study was to evaluate physico-chemical modifications of mechanically separated mantis shrimp flesh during deep-freezing storage. Flesh samples obtained using a belt-drum separator, frozen and vacuum-packed, were stored at 3 temperatures (industrial: &minus, 26 &deg, C, domestic: &minus, 18 &deg, C and abuse: &minus, 10 &deg, C) for 12 months. During storage, qualitative (color, water content, pH, fatty acids (FA) and lipid oxidation) were evaluated. Fish freshness parameters (e.g., trimethylamine (TMA), dimethylamine (DMA) and amino acids) were assessed using nuclear magnetic resonance (1H-NMR). The mechanical separation process accelerated the initial oxidation phenomena, promoting color alterations, compared to manual separation. The main degradation phenomena during storage were significantly affected by temperature and were related to changes in luminosity, oxidation of n-3 polyunsaturated fatty acids (PUFA), increased lipolysis with release of free FA, production of TMA and DMA by residual enzymatic activity, and changes in amino acids due to proteolysis. The inter-disciplinary approach permitted important findings to be made, in terms of the extent of different degradative phenomena, bound to processing and storage conditions of mechanically separated mantis flesh.

Trimethylamine-N-oxide (TMAO) can be produced by the gut microbiota from dietary substrates and is associated with cardiovascular disease. While dairy products contain TMAO precursors, the effect of fermented dairy on TMAO metabolism remains unclear. We used plasma and urine samples collected for two randomised cross-over studies to evaluate the effects of fermented dairy consumption on TMAO metabolism. In Study 1, thirteen healthy young men tested a yogurt and an acidified milk during postprandial tests and a two-week daily intervention. In Study 2, ten healthy adults tested milk and cheese during postprandial tests. TMAO and five related metabolites were measured in plasma and urine by LC-MS/MS and NMR. Faecal microbiota composition was assessed in Study 1 (16S rRNA metagenomics sequencing). Fermented milk products were associated with lower postprandial TMAO responses than non-fermented milks in urine (Study 1, p = 0.01, Study 2, p = 0.02) and in plasma, comparing yogurt and acidified milk (Study 1, p = 0.04). Daily consumption of dairy products did not differentially affect fasting TMAO metabolites. Significant correlations were observed between microbiota taxa and circulating or urinary TMAO concentrations. Fermentation of dairy products appear, at least transiently, to affect associations between dairy products and circulating TMAO levels.

Over the past years, researchers and food manufacturers have become increasingly interested in olive polyphenols due to the recognition of their biological properties and probable role in the prevention of various diseases such as inflammatory bowel disease. Olive pomace, one of the main by-products of olive oil production, is a potential low-cost, phenol-rich ingredient for the formulation of functional food. In this study, the aqueous extract of olive pomace was characterized and used to supplement human intestinal cell in culture (Caco-2). The effect on the cell metabolome and the anti-inflammatory potential were then evaluated. Modification in the metabolome induced by supplementation clearly evidenced a metabolic shift toward a “glucose saving/accumulation” strategy that could have a role in maintaining anorexigenic hormone secretion and could explain the reported appetite-suppressing effect of the administration of polyphenol-rich food. In both basal and inflamed condition, supplementation significantly reduced the secretion of the main pro-inflammatory cytokine, IL-8. Thus, our data confirm the therapeutic potential of polyphenols, and specifically of olive pomace in intestinal bowel diseases. Although intervention studies are needed to confirm the clinical significance of our findings, the herein reported results pave the road for exploitation of olive pomace in the formulation of new, value-added foods. In addition, the application of a foodomics approach allowed observing a not hypothesized modulation of glucose metabolism.

Background Colostrum is the first secretion produced by mammary glands during the hours immediately preceding and succeeding parturition. This secretion differs from milk and represents an essential vehicle of passive immunity, prebiotic compounds and growth factors involved in intestinal development. Most of the literature concerning colostrum composition refers mainly to human and cow; and little is known about pig colostrum metabolome and how it varies between pig breeds and different farrowing parity. Thus, the aim of the present research is to provide new information about pig colostrum composition and the associations between metabolites, the sows’ breed and the survival and growth rates of their litters. Results Colostrum samples were gathered from 58 parturitions of sows belonging to three different breeds chosen for their importance in Italian heavy pig production: 31 Large White, 15 Landrace and 12 Duroc respectively. The defatted and ultrafiltered colostrum samples were analysed using 1H–NMR spectroscopy. Principal Components Analysis (PCA) was assessed on the obtained spectra. In addition, using a Stepwise Regression and a Linear Regression analyses the metabolites named after the signals assignment were tested for their associations with piglets’ performances. Twenty-five metabolites were identified, comprehending monosaccharides, disaccharides (such as lactose), organic acids (lactate, citrate, acetate and formate), nitrogenous organic acids (such as creatine) and other compounds, including nucleotides. PCA results evidence a clustering due to breed and season effects. Lactose was the main compound determining the assignment of the samples into different clusters according to the sow breed. Furthermore, some metabolites showed to be associated with piglets’ performance and survival traits: acetate and taurine were positively related to litter weight gain and piglets’ survival rate, respectively, while dimethylamine and cis-aconitate were linked to new-borns’ impaired ability to survive. Conclusions The results obtained suggest that colostrum composition is affected by breed, which, together with environmental conditions, may cause changes in colostrum metabolites content with possible consequences on piglets’ performances. Among the identified metabolites, acetate, taurine, dimethylamine and cis-aconitate showed consistent associations with piglets’ survival rate and litter weight gain, implying that these compounds may affect new-borns’ ability to survive. Electronic supplementary material The online version of this article (10.1186/s40104-018-0237-1) contains supplementary material, which is available to authorized users.

The quality of fish products is indispensably linked to the freshness of the raw material. Its evaluation can be performed using chemical, sensory and physical methods. Nowadays the most commonly used method is the sensory inspection; alternative sensory methods such as the Quality Index Method (QIM), based on the significant sensory parameters of one specific species, have been recently suggested. Considering that most of the sensory parameters are based on visual impression, the set-up of an objective method using computer vision techniques is very promising. Previous experiments conducted on this application showed that eye colour and shape are the most interesting parameters to be monitored in order to measure / predict fish freshness. The objective of this research was to characterise the changes in eye chromatic and morphological characteristics of European hake (Merluccius merluccius) during 13 days of storage on ice, using a tailored computer vision technique and a 3D scanner. Results obtained by multivariate statistical analysis of the colour spectra of eye images and by the eye concavity index using 3D scanner permitted to estimate fish unacceptability after 7 days of storage, in agreement with results obtained by QIM sensory analysis. Moreover, H1-NMR was used to evaluate the production of total volatile bases (TVB) and trimethylamine (TMA) and the metabolic profile of the samples, confirming a good correlation with eye chromatic and morphological features. This preliminary study showed the high potentiality of the developed method as a non-destructive technique for raw fish freshness characterization / prediction, being a promising approach in order to create a robust portable instrument for the evaluation of fish freshness in real transport and marketing conditions.

Trimethylamine-N-oxide (TMAO) can be produced by the gut microbiota from dietary substrates and is associated with cardiovascular disease. While dairy products contain TMAO precursors, the effect of fermented dairy on TMAO metabolism remains unclear. We used plasma and urine samples collected for two randomised cross-over studies to evaluate the effects of fermented dairy consumption on TMAO metabolism. In Study 1, thirteen healthy young men tested a yogurt and an acidified milk during postprandial tests and a two-week daily intervention. In Study 2, ten healthy adults tested milk and cheese during postprandial tests. TMAO and five related metabolites were measured in plasma and urine by LC-MS/MS and NMR. Faecal microbiota composition was assessed in Study 1 (16S rRNA metagenomics sequencing). Fermented milk products were associated with lower postprandial TMAO responses than non-fermented milks in urine (Study 1, p = 0.01; Study 2, p = 0.02) and in plasma, comparing yogurt and acidified milk (Study 1, p = 0.04). Daily consumption of dairy products did not differentially affect fasting TMAO metabolites. Significant correlations were observed between microbiota taxa and circulating or urinary TMAO concentrations. Fermentation of dairy products appear, at least transiently, to affect associations between dairy products and circulating TMAO levels.

Simple Summary Swine colostrum quality and quantity can influence the growth and survival of piglets and contribute to the differences in productive traits of gilts and multiparous sows. The aim of the study was to characterize the soluble metabolomics profile of defatted colostrum of sows at different parity number (PA) and to correlate the metabolomics profile with the colostrum Brix percentage as an estimate measure of immunoglobulin G (IgG) concentration and sow productive traits. The metabolomics profile of colostrum reveals a slight influence of parity, which can influence the quantity of specific metabolites including glycine and lactose. Specific metabolites including lactose creatine, myo-inositol, and O-phosphocholine partially explain the colostrum IgG Brix percentage. Sows’ productive traits performance, including the litter weight at birth and piglets’ mortality, can be influenced by the metabolites related to a sow’s metabolic condition. Increasing knowledge on the interplay between colostrum composition and litter performance can pave the way to define management strategies to provide piglets with good-quality colostrum, improving welfare and economic sustainability of pig rearing by reducing piglet mortality. Abstract The aim of the study was to characterize the soluble metabolomics profile of defatted colostrum of sows at different parity number (PA) and to correlate the metabolomics profile with the Brix percentage estimate of colostrum immunoglobulin G (IgG) and sow productive traits. A total of 96 Meidam (crossbreed Large White × Meishan) sows of PA from 1–4 (PA1: 28; PA2:26; PA3:12; PA4:26) were included, and their productive traits were recorded at 10 days post-farrowing. Colostrum IgG was quantified using a Brix refractometer, and metabolomics profile was assessed using 1H-NMR spectroscopy. Sows’ PA slightly influenced the metabolomics profile of colostrum. lactose and glycine were higher in PA1 compared with PA4 (p 0.05) and N-acetylglucosamine (GlcNAc) tended to be higher in PA2 than PA3 and PA4 (p < 0.10). The Brix percentage of IgG was negatively associated with lactose and positively with creatine, myo-inositol, and O-phosphocholine (p < 0.05). Taurine was positively related to litter weight at birth. GlcNAc and myo-inositol were linked to piglet mortality at day 10 with a negative and positive trend, respectively. In conclusion, colostrum of gilts and multiparous sows had a similar metabolomics profile. Specific metabolites contributed to explanation of the variability in colostrum Brix percentage estimate of IgG concentration and the sows’ productive performance.

Nowadays, the strong demand for adequate nutrition is accompanied by concern about environmental pollution and there is a considerable emphasis on the recovery and recycling of food by-products and wastes. In this study, we focused on the exploitation of olive pomace as functional ingredient in biscuits and bread. Standard and enriched bakery products were made using different flours and fermentation protocols. After characterization, they were in vitro digested and used for supplementation of intestinal cells (Caco-2), which underwent exogenous inflammation. The enrichment caused a significant increase in the phenolic content in all products, particularly in the sourdough fermented ones. Sourdough fermentation also increased tocol concentration. The increased concentration of bioactive molecules did not reflect the anti-inflammatory effect, which was modulated by the baking procedure. Conventionally fermented bread enriched with 4% pomace and sourdough fermented, not-enriched bread had the greatest anti-inflammatory effect, significantly reducing IL-8 secretion in Caco-2 cells. The cell metabolome was modified only after supplementation with sourdough fermented bread enriched with 4% pomace, probably due to the high concentration of tocopherol that acted synergistically with polyphenols. Our data highlight that changes in chemical composition cannot predict changes in functionality. It is conceivable that matrices (including enrichment) and processing differently modulated bioactive bioaccessibility, and consequently functionality.

The effect of modified atmosphere packaging (MAP) with unconventional gas mixtures on the main qualitative parameters of sardine fillets during refrigerated storage was investigated. Four different atmospheres conditions were tested: air; 30% CO2+70% N2; 30% CO2+70% N2O and 30% CO2+70% Ar. All samples were packaged in polypropylene trays sealed with a high barrier film and stored at 2–4 °C for 12 days. The quality and the freshness of sardine fillets packed in MAP were evaluated by microbiological, physical and chemical analyses after 0, 1, 2, 5, 6, 8 and 12 days of the storage period. The 2-thiobarbituric acid-reactive substances (TBARS) values for MAP samples were lower compared to air samples, reaching a final value of 1.09 mg malonaldehyde (MA)/kg and 3.39 mg MA/kg, respectively. The samples packed in Ar reached the fixed threshold for total mesophilic and psychrotrophic bacteria after 12 days of storage, resulting the best MAP condition adopted, able to increase the sardine shelf-life of 3 days with respect to the other tested conditions. Air packed samples showed significantly higher (p < 0.05) Hx content (50 mg/kg) compared to the rest of the MAP samples (20 mg/kg). At the end of the storage period, the sample packed in Ar showed a significantly lower value (p < 0.05) (around 40 mg/kg), than the other MAP conditions.

Nuclear magnetic resonance (NMR) spectroscopy has a long tradition as a powerful platform in the hands of modern food scientists, with several applications related to food safety, traceability and authenticity. The continual advances in instrumental sensitivity and electronic stability, together with rapid growth in new, potent algorithms for multivariate data analysis, facilitate the use of NMR spectroscopy as a competitive, complementary analytical platform for observing the food metabolome. By adapting the holistic views of metabolomics research, foodomics emerges as a new discipline bringing food science and nutritional research closer together. This review mostly focuses on recent efforts dedicated to extraction and interpretation of NMR data, rather than providing technical details about their acquisition. With this aim, we present new trends in the exploitation of the information gained by NMR of food matter. We critically describe and illustrate, via representative examples, the limitations and the counterbalancing advantages of the technique.

none 13 no Published Online First: 12 September 2016 OBJECTIVE: The engagement of the gut microbiota in the development of symptoms and complications of diverticular disease has been frequently hypothesised. Our aim was to explore colonic immunocytes, gut microbiota and the metabolome in patients with diverticular disease in a descriptive, cross-sectional, pilot study. DESIGN: Following colonoscopy with biopsy and questionnaire phenotyping, patients were classified into diverticulosis or symptomatic uncomplicated diverticular disease; asymptomatic subjects served as controls. Mucosal immunocytes, in the diverticular region and in unaffected sites, were quantified with immunohistochemistry. Mucosa and faecal microbiota were analysed by the phylogenetic platform high taxonomic fingerprint (HTF)-Microbi.Array, while the metabolome was assessed by 1H nuclear magnetic resonance. RESULTS: Compared with controls, patients with diverticula, regardless of symptoms, had a >70% increase in colonic macrophages. Their faecal microbiota showed depletion of Clostridium cluster IV. Clostridium cluster IX, Fusobacterium and Lactobacillaceae were reduced in symptomatic versus asymptomatic patients. A negative correlation was found between macrophages and mucosal Clostridium cluster IV and Akkermansia. Urinary and faecal metabolome changes in diverticular disease involved the hippurate and kynurenine pathways. Six urinary molecules allowed to discriminate diverticular disease and control groups with >95% accuracy. CONCLUSIONS: Patients with colonic diverticular disease show depletion of microbiota members with anti-inflammatory activity associated with mucosal macrophage infiltration. Metabolome profiles were linked to inflammatory pathways and gut neuromotor dysfunction and showed the ability to discriminate diverticular subgroups and controls. These data pave the way for further large-scale studies specifically aimed at identifying microbiota signatures with a potential diagnostic value in patients with diverticular disease. Barbara, Giovanni; Scaioli, Eleonora; Barbaro, Maria Raffaella; Biagi, Elena; Laghi, Luca; Cremon, Cesare; Marasco, Giovanni; Colecchia, Antonio; Picone, Gianfranco; Salfi, Nunzio; Capozzi, Francesco; Brigidi, Patrizia; Festi, Davide Barbara, Giovanni; Scaioli, Eleonora; Barbaro, Maria Raffaella; Biagi, Elena; Laghi, Luca; Cremon, Cesare; Marasco, Giovanni; Colecchia, Antonio; Picone, Gianfranco; Salfi, Nunzio; Capozzi, Francesco; Brigidi, Patrizia; Festi, Davide

The aim of the study was to characterize the soluble metabolomics profile of defatted colostrum of sows at different parity number (PA) and to correlate the metabolomics profile with the Brix percentage estimate of colostrum immunoglobulin G (IgG) and sow productive traits. A total of 96 Meidam (crossbreed Large White &times, Meishan) sows of PA from 1&ndash, 4 (PA1: 28, PA2:26, PA3:12, PA4:26) were included, and their productive traits were recorded at 10 days post-farrowing. Colostrum IgG was quantified using a Brix refractometer, and metabolomics profile was assessed using 1H-NMR spectroscopy. Sows&rsquo, PA slightly influenced the metabolomics profile of colostrum. lactose and glycine were higher in PA1 compared with PA4 (p 0.05) and N-acetylglucosamine (GlcNAc) tended to be higher in PA2 than PA3 and PA4 (p &lt, 0.10). The Brix percentage of IgG was negatively associated with lactose and positively with creatine, myo-inositol, and O-phosphocholine (p &lt, 0.05). Taurine was positively related to litter weight at birth. GlcNAc and myo-inositol were linked to piglet mortality at day 10 with a negative and positive trend, respectively. In conclusion, colostrum of gilts and multiparous sows had a similar metabolomics profile. Specific metabolites contributed to explanation of the variability in colostrum Brix percentage estimate of IgG concentration and the sows&rsquo, productive performance.

5th International Conference on Foodomics - From Data to Knowledge -- JAN 10-12, 2018 -- Cesena, ITALY, WOS: 000456758800042, PubMed ID: 30599953, In this work, the effects of maturation time and simulated gastrointestinal digestion on the molecular and peptide profiles of "Bresaola Valtellina" were assessed through the foodomics approach, in this case food proteomics and peptidomics combined to other analytical and biological assays, aiming at depicting a holistic food quality. Human digestion of this Italian cured meat product was simulated using an in vitro static protocol and the degree of proteolysis and the in vitro bioactivity of the soluble free compounds in the digestates were evaluated by biochemical assays, e.g. SDS-PAGE, size exclusion HPLC, HPLC/MS, 1H NMR, enzymatic and antioxidant activities. The obtained results demonstrated that in vitro gastrointestinal digestion contributed to a considerable release of myofibrillar proteins by the muscle tissue. Data from SDS-PAGE, peptidomic and size exclusion HPLC assays showed that the in vitro digestion largely degraded proteins of muscle tissue to peptides smaller than 250 Da. The released peptides were likely responsible for the inhibitory activity on amylolytic enzymes and for the antioxidant properties elicited by the gastric digestates of Bresaola. Overall, the results demonstrated the negligible role of ripening in making meat proteins more bioaccessible, whereas they confirmed the highly in vitro digestibility of meat proteins from Bresaola. This study represents a new approach merging proteomics and foodomics to evaluate the effect of ripening and in vitro digestion on the bioactivity and bioaccessibility of proteins and peptides of meat products., COST actionEuropean Cooperation in Science and Technology (COST) [FA1005 INFOGEST], The authors participate in the COST action FA1005 INFOGEST (http://www.cost-INFOGEST.eu/).

The effect of modified atmosphere packaging (MAP) with unconventional gas mixtures on the main qualitative parameters of sardine fillets during refrigerated storage was investigated. Four different atmospheres conditions were tested: air; 30% CO

The most commonly used method for fish freshness determination is the sensory inspection; alternative sensory methods such as the Quality Index Method (QIM), based on the significant sensory parameters of one specific species, have been recently suggested. Considering that most of the sensory parameters are based on chromatic and morphological visual impression, the set-up of an objective method using computer vision techniques is very promising. The objective of this research was to characterize the changes in eye chromatic and morphological characteristics of European hake (Merluccius merluccius) during 13 days of storage on ice, using a tailored computer vision technique and a 3D scanner. Results obtained by multivariate statistical analysis of the colour spectra of eye images and by the eye concavity index using a 3D scanner permitted to estimate fish unacceptability after 7 days of storage, in agreement with results obtained by QIM sensory analysis. Moreover, 1H NMR was used to evaluate the production of trimethylamine (TMA) and the Ki index, confirming a good correlation with eye chromatic and morphological features. This preliminary study showed the high potentiality of the developed method as a non-destructive technique for raw fish freshness characterization / prediction, being a promising approach to create a robust portable instrument for the evaluation of fish freshness in real transport and marketing conditions.

The identification and validation of food intake biomarkers (FIBs) in human biofluids is a key objective for the evaluation of dietary intake. We report here the analysis of the GC-MS and 1H-NMR metabolomes of serum samples from a randomized cross-over study in 11 healthy volunteers having consumed isocaloric amounts of milk, cheese, and a soy drink as non-dairy alternative. Serum was collected at baseline, postprandially up to 6 h, and 24 h after consumption. A multivariate analysis of the untargeted serum metabolomes, combined with a targeted analysis of candidate FIBs previously reported in urine samples from the same study, identified galactitol, galactonate, and galactono-1,5-lactone (milk), 3-phenyllactic acid (cheese), and pinitol (soy drink) as candidate FIBs for these products. Serum metabolites not previously identified in the urine samples, e.g., 3-hydroxyisobutyrate after cheese intake, were detected. Finally, an analysis of the postprandial behavior of candidate FIBs, in particular the dairy fatty acids pentadecanoic acid and heptadecanoic acid, revealed specific kinetic patterns of relevance to their detection in future validation studies. Taken together, promising candidate FIBs for dairy intake appear to be lactose and metabolites thereof, for lactose-containing products, and microbial metabolites derived from amino acids, for fermented dairy products such as cheese.

Item does not contain fulltext Diminished colonic health is associated with various age-related pathologies. Calorie restriction (CR) is an effective strategy to increase healthy lifespan, although underlying mechanisms are not fully elucidated. Here, we report the effects of lifelong CR on indicators of colonic health in aging C57Bl/6J mice. Compared to an ad libitum control and moderate-fat diet, 30% energy reduction was associated with attenuated immune- and inflammation-related gene expression in the colon. Furthermore, expression of genes involved in lipid metabolism was higher upon CR, which may point towards efficient regulation of energy metabolism. The relative abundance of bacteria considered beneficial to colonic health, such as Bifidobacterium and Lactobacillus, increased in the mice exposed to CR for 28 months as compared to the other diet groups. We found lower plasma levels of interleukin-6 and lower levels of various metabolites, among which are bile acids, in the colonic luminal content of CR-exposed mice as compared to the other diet groups. Switching from CR to an ad libitum moderate-fat diet at old age (24 months) revealed remarkable phenotypic plasticity in terms of gene expression, microbiota composition and metabolite levels, although expression of a subset of genes remained CR-associated. This study demonstrated in a comprehensive way that CR affects indicators of colonic health in aging mice. Our findings provide unique leads for further studies that need to address optimal and feasible strategies for prolonged energy deprivation, which may contribute to healthy aging.

Quality definition of food includes several complex factors like physical, compositional and microbial features, modifications induced by technological processes or storage, nutritional value and safety. Foodomics is a holistic approach applying omics technologies to observe food along the entire production/consumption chain. In the present review, we present key applications of nuclear magnetic resonance in foodomics described in the 2012–2015 period, in the quest for robust and thorough information required by the scientific community. In doing so, we summarize the issues connected to food traceability and authenticity, composition and physical characteristics, processing and storage and health, that mostly impact food quality.

The measurement of food intake biomarkers (FIBs) in biofluids represents an objective tool for dietary assessment. FIBs of milk and cheese still need more investigation due to the absence of candidate markers. Thus, an acute intervention study has been performed to sensitively and specifically identify candidate FIBs. Eleven healthy male and female volunteers participated in the randomised, controlled crossover study that tested a single intake of milk and cheese as test products, and soy based drink as a control. Urine samples were collected at baseline and up to 24h at distinct time intervals (0-1, 1-2, 2-4, 4-6, 6-12 and 12-24h) and were analysed using an untargeted multi-platform approach (GC-MS and 1H-NMR). Lactose, galactose and galactonate were identified exclusively after milk intake while for other metabolites (allantoin, hippurate, galactitol and galactono-1,5-lactone) a significant increase has been observed. Urinary 3-phenyllactic acid was the only compound specifically reflecting cheese intake although alanine, proline and pyroglutamic acid were found at significantly higher levels after cheese consumption. In addition, several novel candidate markers for soy drink were identified such as pinitol and trigonelline. Together, these candidate FIBs of dairy intake could serve as a basis for future validation studies under free-living conditions.

A bioactive compound is a food component that may have an impact on health. Its bioaccessibility, defined as the fraction released from the food matrix into the gastrointestinal tract during digestion, depends on compound stability, interactions with other food components, and supramolecular organization of food. In this study, the effect of pH on the bioaccessibility of the bioactive dipeptide carnosine was evaluated in two commercial samples of the Italian cured beef meat bresaola at two key points of digestion: before the gastric and after the duodenal phases. The digestion process was simulated using an in vitro static system, whereas capillary zone electrophoresis (CZE) and (1)H nuclear magnetic resonance (NMR) were used for quantitative analysis. The gap between the total carnosine content, measured by CZE, and its free diffusible fraction observable by NMR spectroscopy, was 11 and 19% for two independent bresaola products, where such percentages represent the fraction of carnosine not accessible for intestinal absorption because it was adsorbed to the food matrix dispersed in the digestion fluid.

Introduction: The Deficiens Homologue 9-iaaM (DefH9-iaaM) gene is an ovule-specific auxin-synthesizing gene which is expressed specifically in placenta/ovules and promotes auxin-synthesis. It was introduced into the genome of two grape cultivars Thompson Seedless and Silcora and both transgenic cultivars had an increased number of berries per bunch. Objectives: This study investigates the down-stream metabolic changes of Silcora and Thompson seedless grape cultivars when genetically modified through the insertion of the DefH9-iaaM gene into their genome. Methods: The effects of the genetic modification upon the grape metabolome were evaluated through 1H-NMR and exploratory data analysis. Chemometric tools such as Interval Partial Least Squares regression and metabolite heatmaps were employed for scrutinizing the changes in the transgenic metabolome as compared to the wild type one. Results: The results show that the pleiotropic effect on the grape metabolome as a function of the gene modifications is relatively low, although the insertion of the transgene caused a decrement in malic acid and proline and an increment in p-coumaric acid content. In addition, the concentration of malic acid was successfully correlated with the number of inserted copies of transgene in the Silcora cultivar, proving that the increased production of berries, promoted by the inserted gene, is achieved at the expense of a decrement in malic acid concentration. Conclusion: NMR together with chemometrics is able to identify specific metabolites that were up- or down regulated in the genetically engineered plants allowing highlighting alterations in the down-stream metabolic pathways due to the up-stream genetic modifications.

The increasing demand for natural foods and beverages, i.e. prepared by excluding synthetic chemicals along the whole production chain, has boosted the adoption of organic and biodynamic cultivation methods which are based on protocols avoiding use of synthetic pesticides. This trend is striking in viticulture, since wine production is largely shaped by the varying drinking attitudes of environment-friendly consumers. Using 1 H NMR, the compositions of grape berries, collected at harvest in 2009 and 2011, in experimental plots cultivated either with biodynamic or organic methods, were compared. Although the analysis provides a comprehensive metabolic profile of berries, the resulting distinctive pattern consists of a few molecules. Lower content of sugars, coumaric and caffeic acids, as well as higher amount of γ-aminobutyric acid (GABA) were observed in biodynamic grapes. The 1 H NMR foodomics approach evidenced a diverse fruit metabolome that could be associated to a different physiological response of plants to the agronomic environment.

Proton Nuclear Magnetic Resonance ( 1 H NMR) was used to study micro-wave cooked European sea bass ( Dicentrarchus labrax ) fillets, along five different points of their in vitro digestion: after oral digestion, after gastric digestion and subsequent increasing of the pH to 5.0, and after 90 and 180 min of duodenal digestion. During the gastric phase, the appearance of broad signals in different spectral regions, typical of amino acid protons, provided evidence for the expected release of unstructured fragments of denatured proteins, whilst smaller peptides, with sharper signals in the same spectral regions, were becoming visible only after duodenal digestion. Prior digestion, the spectral features of trichloroacetic acid extracts, from raw and cooked fish fillets, have been analysed to assess whether a significant protein hydrolysis or metabolite release ( e.g. , amino acids, organic acids, saccharides, and nucleotide derivatives) already occurred during cooking, by comparing the spectral profiles of these extracts. No significant differences among the molecular profile of both extracts were found. The present study demonstrates the suitability of NMR spectroscopy to follow the kinetics of fish fillets digestion under in vitro conditions simulating human digestion.

Nuclear magnetic resonance spectroscopy was employed to obtain information about the changes occurring in Bogue (Boops boops) fish during storage. For this purpose, (1)H-NMR spectra were recorded at 600 MHz on trichloroacetic acid extracts of fish flesh stored over a 15 days period both at 4 °C and on ice. Such spectra allowed the identification and quantification of amino acids, together with the main organic acids and alcohols. The concentration of acidic and basic free amino acids was generally found to increase and decrease during storage, respectively. These concentration changes were slow during the first days, as a consequence of protein autolysis, and at higher rates afterward, resulting from microbial development. Two of the amino acids that showed the greatest concentration change were alanine and glycine, known to have a key role in determining the individual taste of different fish species. The concentration of serine decreased during storage, as highlighted in the literature for frozen fish samples. Differences in the amino acids concentration trends were found to be related to the different storage temperatures from day 4 onwards.

Nuclear magnetic resonance spectroscopy was employed to obtain information about the changes occurring in Bogue (Boops boops) fish during storage. For this purpose, 1H-NMR spectra were recorded at 600 MHz on trichloroacetic acid extracts of fish flesh stored over a 15 days period both at 4 °C and on ice. Such spectra allowed the identification and quantification of amino acids, together with the main organic acids and alcohols. The concentration of acidic and basic free amino acids was generally found to increase and decrease during storage, respectively. These concentration changes were slow during the first days, as a consequence of protein autolysis, and at higher rates afterward, resulting from microbial development. Two of the amino acids that showed the greatest concentration change were alanine and glycine, known to have a key role in determining the individual taste of different fish species. The concentration of serine decreased during storage, as highlighted in the literature for frozen fish samples. Differences in the amino acids concentration trends were found to be related to the different storage temperatures from day 4 onwards.

The content of essential amino acids is an important aspect for determining the nutritional value of food proteins, but their digestibility is also a key property, deeply affected by food processing. The production of Parmigiano Reggiano cheese is closely related to the nutritional quality of the final product; in particular the high digestibility of its proteins is claimed to be proportional to cheese aging. Two different kinds of Parmigiano Reggiano, young (aged 15 months) and old (aged 30 months), were separately digested using an in vitro system that simulates digestive processes in the mouth, stomach and small intestine. Samples were collected at different stages of digestion and the process of protein hydrolysis was explored and compared by low-field (LF) and high-resolution (HR) NMR, together with other biochemical methods. HR-NMR allowed to simultaneously observe the quantity of free amino acids, peptides and proteins, also giving for these latter qualitative information about their dimension. LF-NMR, instead, gave the possibility to observe digestion with no treatments whatsoever, thus representing a technique suitable for on-line measurements. The results pointed out that cheeses with different aging times, although starting from distinct initial compositions, conclude digestion in a similar way, in terms of free amino acids and small organic compounds, but evolve with different kinetics of hydrolysis and peptide formation, discriminating the young from the old cheese. Copyright © 2012 John Wiley & Sons, Ltd.

The molecular profiles of perchloric acid solutions extracted from the flesh of Sparus aurata fish specimens, produced according to different aquaculture systems, have been investigated. The (1)H-NMR spectra of aqueous extracts are indicative of differences in the metabolite content of fish reared under different conditions that are already distinguishable at their capture, and substantially maintain the same differences in their molecular profiles after sixteen days of storage under ice. The fish metabolic profiles are studied by top-down chemometric analysis. The results of this exploratory investigation show that the fish metabolome accurately reflects the rearing conditions. The level of many metabolites co-vary with the rearing conditions and a few metabolites are quantified including glycogen (stress indicator), histidine, alanine and glycine which all display significant changes dependent on the aquaculture system and on the storage times.

The present work describes a foodomics protocol coupling an in vitro static simulation of digestion to a combination of omics techniques, to grant an overview of the protein digestibility of a meat-based food, namely Bresaola. The proteolytic activity mediated by the digestive enzymes is evaluated through Bradford and SDS-PAGE assays, combined to NMR relaxometry and spectroscopy, to obtain information ranging from the microscopic to the molecular level, respectively. The simple proteomics tool adopted here points out that a clear increase of bioaccessible proteins occurs in the gastric phase, rapidly disappearing during the following duodenal digestion. However, SDS-PAGE and the Bradford assay cannot follow the fate of the digested proteins when the products are sized

Cultures of Escherichia coli 555 were grown at four levels of carvacrol (0–2 mM) and the E. coli endo-metabolome was extracted and measured by 1 H NMR spectroscopy. The results show that glucose concentration is going up with concentration of carvacrol and so do formate until the highest concentration is reached, from which point it suddenly decreases. This is interpreted as if the bacteria are increasingly unable to further metabolize glucose and as if the bacteria increasingly shifts with higher levels of carvacrol toward sugar fermentation as carbon source, until the level of carvacrol reaches a level (2.00 mM), where the E. coli must give up. Additionally, the multivariate Principal Component Analysis suggests that the adaptation occurring at sub-lethal doses of carvacrol is different from that occurring at higher doses.

In this study, we sought to find novel bacterial and metabolic hallmarks for bacterial vaginosis (BV). We studied the vaginal microbiome and metabolome of vaginal fluids from BV-affected patients (n = 43) and healthy controls (n = 37) by means of an integrated approach based on quantitative polymerase chain reaction (qPCR) and proton nuclear magnetic resonance (H-1-NMR). The correlations between the clinical condition and vaginal bacterial communities were investigated by principal component analysis (PCA). To define the metabolomics signatures of BV, 100 discriminant analysis by projection on latent structure (PLS-DA) models were calculated. Bacterial signatures distinguishing the health condition and BV were identified by qPCR. Lactobacillus crispatus strongly featured the healthy vagina, while increased concentrations of Prevotella, Atopobium and Mycoplasma hominis specifically marked the infection. H-1-NMR analysis has led to the identification and quantification of 17 previously unreported molecules. BV was associated with changes in the concentration of metabolites belonging to the families of amines, organic acids, short chain fatty acids, amino acids, nitrogenous bases and monosaccharides. In particular, maltose, kynurenine and NAD(+) primarily characterised the healthy status, while nicotinate, malonate and acetate were the best metabolic hallmarks of BV. This study helps to better understand the role of the vaginal microbiota and metabolome in the development of BV infection. We propose a molecular approach for the diagnosis of BV based on quantitative detection in the vaginal fluids of Atopobium, Prevotella and M. hominis, and nicotinate, malonate and acetate by combining qPCR and H-1-NMR.