From data to insight: Exploring contaminants in different food groups with literature mining and machine learning techniques.

Food remains a major source of human exposure to chemical contaminants that are unintentionally present in commodities globally, despite strict regulation. Scientific literature is a valuable source of quantification data on those contaminants in various foods, but manually summarizing the information is not practicable. In this review, literature mining and machine learning techniques were applied in 72 foods to obtain relevant information on 96 contaminants, including heavy metals, polychlorinated biphenyls, dioxins, furans, polycyclic aromatic hydrocarbons (PAHs), pesticides, mycotoxins, and heterocyclic aromatic amines (HAAs). The 11,723 data points collected from 254 papers from the last two decades were then used to identify the patterns of contaminants distribution. Considering contaminant categories, metals were the most studied globally, followed by PAHs, mycotoxins, pesticides, and HAAs. As for geographical region, the distribution was uneven, with Europe and Asia having the highest number of studies, followed by North and South America, Africa and Oceania. Regarding food groups, all contained metals, while PAHs were found in seven out of 12 groups. Mycotoxins were found in six groups, and pesticides in almost all except meat, eggs, and vegetable oils. HAAs appeared in only three food groups, with fish and seafood reporting the highest levels. The median concentrations of contaminants varied across food groups, with citrinin having the highest median value. The information gathered is highly relevant to explore, establish connections, and identify patterns between diverse datasets, aiming at a comprehensive view of food contamination.

Mycotoxins' Prevalence in Food Industry By-Products: A Systematic Review.

The recovery of biomolecules from food industry by-products is of major relevance for a circular economy strategy. However, by-products' contamination with mycotoxins represents a drawback for their reliable valorization for food and feed, hampering their application range, especially as food ingredients. Mycotoxin contamination occurs even in dried matrices. There is a need for the implantation of monitoring programs, even for by-products used as animal feed, since very high levels can be reached. This systematic review aims to identify the food by-products that have been studied from 2000 until 2022 (22 years) concerning mycotoxins' contamination, distribution, and prevalence in those by-products. PRISMA ("Preferred Reporting Items for Systematic Reviews and MetaAnalyses") protocol was performed via two databases (PubMed and SCOPUS) to summarize the research findings. After the screening and selection process, the full texts of eligible articles (32 studies) were evaluated, and data from 16 studies were considered. A total of 6 by-products were assessed concerning mycotoxin content; these include distiller dried grain with solubles, brewer's spent grain, brewer's spent yeast, cocoa shell, grape pomace, and sugar beet pulp. Frequent mycotoxins in these by-products are AFB1, OTA, FBs, DON, and ZEA. The high prevalence of contaminated samples, which surpasses the limits established for human consumption, thus limiting their valorization as ingredients in the food industry. Co-contamination is frequent, which can cause synergistic interactions and amplify their toxicity.

Protein Hydrolysates from Brewing By-Products as Natural Alternatives to ACE-Inhibitory Drugs for Hypertension Management.

The treatment of hypertension is of major importance to reduce the risk of cardiovascular disease, the leading cause of death worldwide. Angiotensin-converting enzyme (ACE) inhibitors are anti-hypertensive drugs associated with several side effects. Natural products, namely bioactive peptides from brewing by-products, brewers' spent grain (BSG), and yeast (BSY), are promising alternatives since they can inhibit ACE in vitro. However, the oral intake of these peptides may modify their expected inhibitory effect owing to possible changes in active peptides' bioavailability, which have not been assessed so far. The goal of this study was to simulate oral administration to evaluate BSG/BSY peptides' effectiveness by submitting protein hydrolysates sequentially to simulated gastrointestinal digestion, intestinal absorption (Caco-2 cells), and liver metabolism (HepG2 cells). MTT assay was used to assess BSG/BSY protein hydrolysates safeness. The ACE-inhibitory potential of initial and final protein hydrolysates (BSY, BSG, and a new product, MIX) were tested using a fluorometric assay and compared with captopril (1 µM, an ACE-inhibitory drug). Simulation of oral administration greatly increased BSY and MIX protein hydrolysates' ACE-inhibitory capacity, though final MIX and BSG revealed greater ACE-inhibitory potential than captopril. Notwithstanding, all final protein hydrolysates presented ACE-inhibitory capacity, thus being promising compounds to manage hypertension.

Mycotoxin Interactions along the Gastrointestinal Tract: In Vitro Semi-Dynamic Digestion and Static Colonic Fermentation of a Contaminated Meal.

Aflatoxin B1 (AFB1) and ochratoxin A (OTA) naturally co-occur in several foods, but no studies have followed the fate of mycotoxins' interactions along the gastrointestinal tract using in vitro digestion models. This study used a novel semi-dynamic model that mimics gradual acidification and gastric emptying, coupled with a static colonic fermentation phase, in order to monitor mycotoxins' bioaccessibility by the oral route. AFB1 and OTA bioaccessibility patterns differed in single or co-exposed scenarios. When co-exposed (MIX meal), AFB1 bioaccessibility at the intestinal level increased by ~16%, while OTA bioaccessibility decreased by ~20%. Additionally, a significant increase was observed in both intestinal cell viability and NO production. With regard to mycotoxin-probiotic interactions, the MIX meal showed a null effect on Lactobacillus and Bifidobacterium strain growth, while isolated AFB1 reduced bacterial growth parameters. These results were confirmed at phylum and family levels using a gut microbiota approach. After colonic fermentation, the fecal supernatant did not trigger the NF-kB activation pathway, indicating reduced toxicity of mycotoxins. In conclusion, if single exposed, AFB1 will have a significant impact on intestinal viability and probiotic growth, while OTA will mostly trigger NO production; in a co-exposure situation, both intestinal viability and inflammation will be affected, but the impact on probiotic growth will be neglected.

Headspace volatolome of peel flours from citrus fruits grown in Brazil.

Citrus fruit peel comprises a pleasant mix of volatile compounds together with fibers, nutrients, and bioactive compounds. Therefore, it has great potential for use as a food ingredient. Studies evaluating the volatile composition of citrus peel flours are limited for most citruses. The goal of this study was to characterize, by HS-SPME/GC-MS, the volatile profile of citrus peel flours made from fruits commonly grown in Brazil. Two composite samples of ten types of citrus peel flours from consecutive harvests were evaluated. 69 volatile compounds were assigned, 49 in Tahiti acid lime, 49 in Sicilian lemon, 37 in Persian lime, 34 in Italian tangerine and oval kumquat, 33 in Valencia orange, 32 in Baia orange and round kumquat, 28 in Blood-of-Mombuca orange and 26 in Lima orange. 26 major compounds represented 93-99% of the total chromatogram peak area. Terpenic compounds were predominant in all samples, especially monoterpenes (about 48-97% of the total chromatogram peak area), while lower proportions of aldehydes (0.2-16.1%), monoterpene alcohols (0.4-11.8%) and esters (0.0-7.7%) were observed. Even though a few compounds like limonene, ß-myrcene, linalool, α-pinene and valencene were detected in all citrus, volatile compounds followed specific patterns in the different citruses, with a clear distinction among them, especially between lemon flours and the remaining flours. The variety of volatile profiles and singular specific volatolomic signatures in citrus peels can be explored for different applications related to food flavoring and preservation, and promotion of good health. These aspects should be thoroughly investigated in future studies.

Sensory and Olfactometry Chemometrics as Valuable Tools for Assessing Hops' Aroma Impact on Dry-Hopped Beers: A Study with Wild Portuguese Genotypes.

Sensory, olfactometry (using the sums of odour intensities for each class of compounds) and chemometric analyses were used to evaluate Portuguese wild hops' sensory characteristics and the aroma that those hops impart to dry-hopped beer. CATA analysis and agglomerative hierarchical clustering was applied for the sensory characterization of 15 wild hops of Portuguese genotypes, clustering them in two groups: one more sulphurous, floral, and fruity, and another more earthy, resinous, floral, and non-citrus fruits. Two hops representative of each group were selected for the production of four dry-hopped beers using the same base beer style (Munich Helles). Beers were analysed by quantitative descriptive analyses and quantification of hop-derived key volatile compounds. Multivariate statistical treatment of the data was performed. Results indicate significant differences (p < 0.05) in fruity, resinous, earthy, floral, and sulphurous attributes of hops, but the dry-hopped beers only have a significant increase (p < 0.05) in fruity and spicy notes when compared with non-dry-hopped Munich-style Helles beer. Hop olfactometry explained the sensory perception that the 11 hops not used for brewing (employed as supplementary observations) are placed into the space of the odour-active compounds profile of the four hops selected for brewing. These 11 hop samples have more spiciness than fruitiness potential.

Inhibitory effect of vinegars on the formation of polycyclic aromatic hydrocarbons in charcoal-grilled pork.

The effect of five different vinegars, applied as a seasoning, on the formation of polycyclic aromatic hydrocarbons (PAH) in charcoal-grilled pork loin was investigated. PAH were assayed using acetonitrile based-extraction and high-performance liquid chromatography with fluorescence detection. Unseasoned samples presented a mean value of 31.47 ng g-1 of PAH4 (sum of benz[a]anthracene, chrysene, benzo[b]fluoranthene and benzo[a]pyrene), near the maximum established by European Union (30 ng g-1). Significant reduction (p < .05) of PAH4 formation was observed in meat samples sprayed with vinegar. Elderberry vinegar exhibited the highest inhibition (82%), followed by white wine vinegar (79%), red wine and cider vinegars (66%), and fruit vinegar with raspberry juice (55%). The total phenolic content and antioxidant activities of vinegars had a moderate negative correlation with PAH4 formation, and 3rd degree polynomial equations had the best fitting performance to explain this relation. Spraying meat with these vinegars prior grill is an easy-to-apply strategy to limit the exposure to PAH.

Prediction of Fruity-Citrus Intensity of Beers Dry Hopped with Mandarina Bavaria Based on the Content of Selected Volatile Compounds.

Mandarina Bavaria is a "Special Flavor" hop variety, described as fruity, with pronounced mandarin and citrus, combined with traditional hoppy sensations. The relationship between fruity-citrus intensity and the volatile profile of dry-hopped beers was assessed in order to predict the sensory perception of those dry-hopped beers using the content of selected volatile compounds. For this purpose, two base beers (A and B) that presented statistical differences (p < 0.05) in the composition of volatile compounds and on the sensory perception were dry hopped with 3 g/L Mandarina Bavaria hop. Twenty-four volatiles from hop were quantified during 15 days of dry hopping, while the sensory perception was followed by a certified trained panel. The sensory perception of total hoppy content (in a scale from 0 to 5) can be estimated using a PLS equation (Q2 = 0.654): total hoppy = 1.8 + [myrcene (µg/L) × 7.5 × 10-3] + [2-methylbutyl-2-methylpropanoate (µg/L) × 4.2 × 10-3] + [linalool (µg/L) × 7.2 × 10-3] + [α-humulene (µg/L) × 2.3 × 10-3]). Successful models were also obtained to predict citrus (Q2 = 0.745), green fruit (Q2 = 0.598), and sweet fruit (Q2 = 0.626) characteristics of dry-hopped beers.

Multidisciplinary approach to determine the effect of polybrominated diphenyl ethers on gut microbiota.

Environmental health is increasingly compromised by persistent toxic substances, which may have serious implications in food safety and, thus, in human health. Polybrominated diphenyl ethers (PBDEs) are anthropogenic contaminants with endocrine disruption abilities and are commonly found in seafood, the main route of human exposure. Growing evidence points out that the human gut microbiota interacts with xenobiotics, which may lead to impairment of host homeostasis if functions of microbiota become compromised. The aim of this study was to ascertain if the physiological balance of human gut microbiome is affected by the presence and degree of exposure to PBDEs. Fermentation was performed in a batch closed-system using an inoculum made from fresh human stool. The volatolomic profile was analysed by solid-phase microextraction coupled to gas chromatography-mass spectrometry. Mesophilic, Gram-negative bacteria and coliforms were quantified by classic plating methods. Changes in the gut microbiome were evaluated after DNA extraction followed by deep sequencing of the 16S rDNA region. The exposure to PBDEs resulted in an imbalance in sulfur, short-chain fatty acids and aromatic organic compounds, changing the microbial volatolome in a dose- and time-dependent manner. Slight deviations in the microbial structure of human gut occurred in the presence of PBDEs, especially for high doses of exposure. For the first time, the impact of PBDEs on the microbial homeostasis of human gut microbiota was taken into consideration, revealing noteworthy modifications with serious health implications even at oral exposure doses considered as safe by worldwide regulatory entities.

Influence of oven and microwave cooking with the addition of herbs on the exposure to multi-mycotoxins from chicken breast muscle.

Mycotoxins can contaminate poultry production via fungal infection of feeds. The impact of different cooking methods on mycotoxins stability and bioaccessibility is scarcely studied. Recent cooking practices such as the use of roasting bags along with some seasonings to cook chicken have become a trend to maintain the tenderness of the meat. This study evaluated the impact of oven roasting and microwaving of chicken breast muscles, with/without roasting bags and/or herbs addition on the stability and bioaccessibility of the 10 prevalent mycotoxins. Cooking itself reduced mycotoxins content, while using bags did not confer any advantage; adding herbs reduced mycotoxins content by up to 60%, but also appeared to increase their bioaccessibility. Thus, strategies to reduce their increased bioaccessibility should be the subject of future research. Notwithstanding, adding herbs prior to cooking could be used as a mitigation strategy to reduce mycotoxins in meat.

Modeling of α-acids and xanthohumol extraction in dry-hopped beers.

The practice of dry-hopping has been used by the brewing industry to obtain beers with increased contents of flavor and bitterness compounds. Notwithstanding this, other compounds such as α-acids (AA) and xhanthohumol (XN) are co-extracted influencing the final characteristics of the beer, particularly its beneficial bioactivity. In this context a model for the understanding of AA and XN extraction by dry-hopping is proposed. The varieties Chinook (CHI), East Kent Goldings (EKG) and Tettnanger (TET) were assayed and robust statistical approaches were applied for data interpretation. Concentration of AA in beers post-maturation reached values higher than 20 mg/L using 2.8 g/L of CHI hops and 10 days of maturation. For XN, a similar behavior was verified. The maximum efficiency of AA and XN extraction (transfer rate) were reached at 13.5 days with dose rates of 147 and 13.9 mg/L, respectively.

Smoked fish products available in European markets: Human exposure to polybrominated diphenyl ethers and their metabolites.

Food safety is continuously threatened by numerous contaminants including those originated from environmental pollution, such as PolyBrominated Diphenyl Ethers (PBDEs). In the present study, PBDEs and their biologically active metabolites - the methoxylated PBDEs (MeO-PBDEs) - were determined in several smoked seafood products (N = 30) acquired in the European market. The analyses were performed by an environmental-friendly method comprising a "Quick, Easy, Cheap, Effective, Rugged, and Safe" (QuEChERS)-based extraction followed by gas chromatography (tandem) mass spectrometry. At least one congener of each class of these flame retardants were detected in 80% of the samples assessed herein. Whenever above the limits of quantification, total PBDEs ranged from 0.21 to 64.49 µg kg-1, while MeO-PBDEs varied between 1.14 and 163.48 µg kg-1, on a wet weight basis. All smoked cod liver samples presented the highest degree of contamination, where a 100 g portion represented 12% of the PBDEs provisional tolerable weekly intake, as defined by the European food safety authority. Additionally, all tolerable daily intake percentages were below 0.2%, thus indicating no cause for concern for individuals exposed to PBDEs through consumption of smoked seafood products. Finally, multivariate partial least squares regression clarified the relationship between product characteristics and instrumental data, allowing to understand which variables caused greater influence on the contamination level of smoked products.

Viability of dietary substitution of live microalgae with dry Ulva rigida in broodstock conditioning of the Pacific oyster (Crassostrea gigas).

The current study evaluated the microalgae replacement by dry macroalgae (Ulva rigida) in the reproductive success and biochemical composition of the Pacific oyster (Crassostrea gigas) during broodstock conditioning. Five nutritional regimes were tested: 100% macroalgae (diet 1), 50% macroalgae+50% microalgae (diet 2), 25% macroalgae+75% microalgae (diet 3) and 100% microalgae (diet 4). An unfed group was used as a negative control. The microalgae blend was composed of 33% Isochrysis galbana and 67% diatoms (75% Skeletonema costatum+25% Chaetoceros calcitrans). Gonadal maturation was reflected in the physiological condition of the individuals. All treatments, except diet 1, showed an increase in condition index and were fully matured at the end of the trial, with the best physiological condition observed in oysters fed diet 3 and diet 4. Protein and total lipid content increased during the conditioning period, whereas glycogen content decreased. Oysters conditioned with diet 3 had higher protein and total lipid content and lower glycogen content than the other treatments. In addition, diet 3 showed the highest percentage of viable veliger larvae. The current study demonstrated that it is possible to replace 25% of microalgae with macroalgae in the broodstock conditioning, minimizing the operative cost in bivalve hatcheries.This article has an associated First Person interview with the first author of the paper.

Fibre fortification of wheat bread: impact on mineral composition and bioaccessibility.

In this work, wheat bread was fortified with fibre enriched extracts recovered from agroindustry by-products, namely, elderberry skin, pulp and seeds (EE); orange peel (OE); pomegranate peel and interior membranes (PE); and spent yeast (YE). The impact of this fortification on the total and bioaccessible mineral composition of wheat breads, estimated mineral daily intake, and the relationship between bioaccessibility and dietary fibre was evaluated. Fortification with OE, EE, and PE improved the content of essential minerals in bread when compared to control bread. The exception was bread fortified with YE, which presented a mineral content similar to control bread, but its mineral bioaccessibility was significantly higher than in all the other bread formulations. The opposite was observed for PE bread, which presented a significant reduction of bioaccessible minerals. We concluded that the origin of the fibre rich extract must be carefully selected, to avoid potential negative impact on mineral bioaccessibility.

Size exclusion and reversed-phase high-performance liquid chromatography/UV for routine control of thermal processing of cows' and donkey milk major proteins.

Cows' and donkey milks (raw and thermally processed) and respective whey were analysed for quantification of major proteins. Two different chromatographic approaches, size exclusion (SE-HPLC) and reversed-phase high performance liquid chromatography (RP-HPLC) both coupled to UV detection were used. Usefulness of these methods for routine control of the effect of thermal processing was evaluated. The external standard method was used to calibrate the SE-HPLC and RP-HPLC systems. Concerning quantification of ß-lactoglobulin (ß-lg), α-lactalbumin (α-la), lysozyme (lys), and total casein (cn), no significant differences between results obtained by SE-HPLC and by RP-HPLC (t-test, P>0·05) were observed for raw milks and whey. Heating of cows' milk promoted aggregation of denatured proteins as observed by SE-HPLC, whereas α-la and ß-lg from donkey milk were stable to thermal processing at 100 °C (5 min). Lys was quantified in donkey raw milk and whey however, in thermally processed donkey milk lys was denatured and could not be quantified by HPLC.