Fumonisins are mycotoxins produced by Fusarium fujikuroi species complex that may contaminate food and feed threatening human and animal health. Among the fumonisins group, fumonisin B1 is the most ...widespread and best characterized in terms of toxicity, while additional toxicological data on its congeners, such as N-acylated and hydrolyzed forms, need to be collected to support the group-based risk assessment. The inhibition of ceramide synthase has been identified as the key molecular mechanism of fumonisins toxicity resulting in modifications of sphingolipids rheostat. However, the existence of ancillary mechanisms and biological targets are likely to occur given the growing number of evidence reporting the multitarget mechanisms of mycotoxins toxicity. Therefore, in the framework of the early warning analysis of multitarget toxicity of fumonisins group, the present study aimed at searching potential targets for future hazard characterization studies of fumonisin B1 and its hydrolyzed and N-acetylated forms. In particular, on the basis of structural analogies with known inhibitors, the molecular interaction between N-acylated and hydrolyzed forms of fumonisin B1 and either ceramide transfer protein or sphingosine kinase I was assessed with a molecular modeling study. Our results pointed out that the molecular features of N-acylated hydrolyzed fumonisin B1 and hydrolyzed fumonisin B1 may allow the interaction with the ceramide transfer protein and with the sphingosine kinase I enzyme, respectively. Overall, our results identified such proteins as relevant targets that might take part in fumonisins group toxicity, adding plausible mechanistic insights to better understand fumonisins toxicity. Moreover, possible divergences in the mechanisms of action of fumonisin B1 and its modified forms were identified pointing out the need to assess their relevance with high priority to enhance the understanding of group toxicity.
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•Untargeted metabolomics revealed differences between common and durum wheat lipidome.•The statistical models were validated by using two independent sample sets.•Authentic durum ...wheat and adulterated admixture (3% adulteration) were discriminated.•Putatively identified markers were evaluated applying ROC curves, giving AUC >90%.
In the present work the possibility of using an untargeted metabolomic strategy to discriminate between common and durum wheat lipidome for an authenticity purpose was explored. A first study was conducted by analyzing 52 samples from two durum and common wheat varieties. Afterwards, an extended and independent sample set (173 samples and five varieties) was used as a confirmatory study to verify the stability and consistency of the models obtained. Putatively identified markers were evaluated applying ROC curves resulting in individual marker AUC >90% both in preliminary and confirmatory study. In addition, digalactosyl diglyceride (DGDG) 36:4 was shown to be an effective marker differentiating between authentic durum wheat and its adulterated admixture down to 3% adulteration level, which is the maximum contamination level allowed by Italian legislation. The results demonstrated that untargeted lipidomics, in conjunction with chemometric tools has a significant potential for screening and detection of wheat fraud.
The comprehensive identification of phenolic compounds in food and beverages is a crucial starting point for assessing their biological, nutritional, and technological properties. Pomegranate (Punica ...granatum L.) has been described as a rich source of (poly)phenolic components, with a broad array of different structures (phenolic acids, flavonoids, and hydrolyzable tannins) and a quick, high throughput, and accurate screening of its complete profile is still lacking. In the present work, a method for UHPLC separation and linear ion trap mass spectrometric (MSn) characterization of pomegranate juice phenolic fraction was optimized by comparing several different analytical conditions. The best solutions for phenolic acids, anthocyanins, flavonoids, and ellagitannins have been delineated and more than 70 compounds have been identified and fully characterized in less than one hour total analysis time. Twenty-one compounds were tentatively detected for the first time in pomegranate juice. The proposed fingerprinting approach could be easily translated to other plant derived food extracts and beverages containing a wide array of phytochemical compounds.
Lactic acid bacteria (LAB) exhibit a great biodiversity that can be exploited for different purposes, such as to enhance flavours or metabolize phenolic compounds. In the present study, the use of ...dairy and plant-derived LAB strains to perform cherry juice fermentation is reported.
The growth ability of
,
,
and
was studied in cherry juice. Profiling of sugars, organic acids and volatile compounds was performed by GC-MS (Gas Chromatography-Mass Spectrometry), while the phenolic fraction was characterized using UHPLC (Ultra High Performance Liquid Chromatography) equipped with a linear ion trap-mass spectrometer.
Sucrose significantly decreased in all fermented samples as well as malic acid, converted to lactic acid by malolactic fermentation. The total amount of volatile compounds increased. Specifically, propyl acetate, an ester with fruit notes, reached the highest concentration in
and
(dairy strains) fermented juices. Phenolics were extensively metabolized: caffeic acid was converted into dihydrocaffeic acid,
-coumaric acid into 4-ethylphenol and phenyllactic acid was produced.
Lactic acid fermentation confer fruit notes to the juice and enhance phenyllactic acids, especially employing dairy strains (
and
). The level of dihydrocaffeic acid, a compound with putative biological activity was also increased (in particular with
).
Abstract
Hepatitis E Virus (HEV) follows waterborne or zoonotic/foodborne transmission. Genotype 3 HEV infections are worldwide spread, especially in swine populations, representing an emerging ...threat for human health, both for farm workers and pork meat consumers. Unfortunately, HEV in vitro culture and analysis are still difficult, resulting in a poor understanding of its biology and hampering the implementation of counteracting strategies. Indeed, HEV encodes for only one non-structural multifunctional and multidomain protein (ORF1), which might be a good candidate for anti-HEV drugging strategies. In this context, an in silico molecular modelling approach that consisted in homology modelling to derive the 3D model target, docking study to simulate the binding event, and molecular dynamics to check complex stability over time was used. This workflow succeeded to describe ORF1 RNA Helicase domain from a molecular standpoint allowing the identification of potential inhibitory compounds among natural plant-based flavagline-related molecules such as silvestrol, rocaglamide and derivatives thereof. In the context of scouting potential anti-viral compounds and relying on the outcomes presented, further dedicated investigations on silvestrol, rocaglamide and a promising oxidized derivative have been suggested. For the sake of data reproducibility, the 3D model of HEV RNA Helicase has been made publicly available.
► Tomatoes were harvested at two ripening stages and let to ripe with or without UV-B. ► UV-B treatment increased carotenoid and ascorbic acid content in Money maker fruits. ► Irradiated fruits of ...high pigment-1 showed very few changes in nutraceutical content. ► Colour parameters were more influenced by harvesting stage than UV-B treatment. ► Fruit firmness was negatively affected by UV-B irradiation in both genotypes.
Nutraceutical (ascorbic acid and carotenoids) and physical (colour and firmness) parameters were evaluated in two tomato genotypes (Money maker and high pigment-1) subjected to post harvest UV-B irradiation at different ripening stages (mature green and turning).
UV-B treatment increased the concentration of ascorbic acid and carotenoids in Money maker flesh and peel, while high pigment-1 fruits underwent only minor changes, suggesting that hp-1 mutation decreased the fruit ability to respond to UV-B radiation. Colour parameters appeared to be more influenced by harvesting stages than UV-B with the exception of redness (a∗), which in Money maker was found to increase in both flesh and peel of irradiated fruits at turning stage, although not significantly, while control was more red than treated at mature green stage. Firmness was negatively influenced by UV-B, as tomatoes were found to soften after the treatment, although this aspect needs further studies to be clarified.
Mycotoxins severely threaten the health of humans and animals. For this reason, many countries have enforced regulations and recommendations to reduce the dietary exposure. However, even though ...regulatory actions must be based on solid scientific knowledge, many aspects of their toxicological activity are still poorly understood. In particular, deepening knowledge on the primal molecular events triggering the toxic stimulus may be relevant to better understand the mechanisms of action of mycotoxins. The present work presents the use of in silico approaches in studying the mycotoxins toxicodynamics, and discusses how they may contribute in widening the background of knowledge. A particular emphasis has been posed on the methods accounting the molecular initiating events of toxic action. In more details, the key concepts and challenges of mycotoxins toxicology have been introduced. Then, topical case studies have been presented and some possible practical implementations of studying mycotoxins toxicodynamics have been discussed.
Mycotoxins are secondary metabolites produced by pathogenic fungi in crops worldwide. These compounds can undergo modification in plants, leading to the formation of a large number of possible ...modified forms, whose toxicological relevance and occurrence in food and feed is still largely unexplored. The analysis of modified mycotoxins by liquid chromatography-mass spectrometry remains a challenge because of their chemical diversity, the large number of isomeric forms, and the lack of analytical standards. Here, the potential benefits of high-resolution and ion mobility mass spectrometry as a tool for separation and structure confirmation of modified mycotoxins have been investigated/reviewed.
Mycotoxins are low-molecular weight compounds produced by diverse genera of molds that may contaminate food and feed threatening the health of humans and animals. Recent findings underline the ...importance of studying the combined occurrence of multiple mycotoxins and the relevance of assessing the toxicity their simultaneous exposure may cause in living organisms. In this context, for the first time, this work has critically reviewed the most relevant data concerning the occurrence and toxicity of mycotoxins produced by
spp., which are among the most important emerging risks to be assessed in food safety, alone or in combination with other mycotoxins and bioactive food constituents. According to the literature covered, multiple
mycotoxins may often occur simultaneously in contaminated food, along with several other mycotoxins and food bioactives inherently present in the studied matrices. Although the toxicity of combinations naturally found in food has been rarely assessed experimentally, the data collected so far, clearly point out that chemical mixtures may differ in their toxicity compared to the effect of toxins tested individually. The data presented here may provide a solid foothold to better support the risk assessment of
mycotoxins highlighting the actual role of chemical mixtures on influencing their toxicity.
Mycotoxins are known environmental pollutants that may contaminate food and feed chains. Some mycotoxins are regulated in many countries to limit the trading of contaminated and harmful commodities. ...However, the so-called emerging mycotoxins are poorly understood and need to be investigated further. Fusaric acid is an emerging mycotoxin, noxious to plants and animals, but is known to be less toxic to plants when hydroxylated. The detoxification routes effective in animals have not been elucidated yet. In this context, this study integrated in silico and in vitro techniques to discover potential bioremediation routes to turn fusaric acid to its less toxic metabolites. The toxicodynamics of these forms in humans have also been addressed. An in silico screening process, followed by molecular docking and dynamics studies, identified CYP199A4 from the bacterium Rhodopseudomonas palustris HaA2 as a potential fusaric acid biotransforming enzyme. Its activity was confirmed in vitro. However, the effect of hydroxylation seemed to have a limited impact on the modelled toxicodynamics against human targets. This study represents a starting point to develop a hybrid in silico/in vitro pipeline to find bioremediation agents for other food, feed and environmental contaminants.
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•An in silico/in vitro study revealed an enzyme (CYP199A4) binding Fusaric Acid (FA).•CYP199A4 is a monooxygenase which hydroxylated and desaturated FA.•The toxicodynamics of FA and its metabolites on human targets was calculated.•Hydroxylated and unsaturated FA showed a FA-like interaction with PKA.•FA hydroxylation/unsaturation appears to have limited impact on the DBH interaction.
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