Starch-digesting product analysis based on the hydrophilic interaction liquid chromatography coupled mass spectrometry method to evaluate the inhibition of flavonoids on pancreatic α-amylase

 Food Chem. 372, 131175, 2022

An accurate hydrophilic interaction liquid chromatography coupled mass spectrometry (HILIC-MS) method is presented to characterize starch digestion by α-amylase and measure the inhibition properties of flavonoids against α-amylase in vitro. Eleven products were found as 1 → 4 linkage glucose oligosaccharides with different degrees of polymerization (DPs) from 2 to 12. The products with DPs of 2, 3, 6, 7, and 9 had higher yields. The product with DP of 9 had the highest yields, which first increased and then decreased with the reaction time. Pelargonidin has the best inhibition activity on all enzyme products. The 3′-hydroxyl of B-ring enhanced the inhibition activity of flavonol and flavone but weakened that of anthocyanin. The C-ring 3-hydroxyl increased the inhibition effect of flavonol on maltose but decreased that on the products with higher DPs than flavone. The HILIC-MS method can provide more detailed information on enzyme products for the study of flavonoids inhibiting α-amylase.

A new HPLC-MS/MS method for the simultaneous determination of 36 polyphenols in blueberry, strawberry and their commercial products and determination of antioxidant activity

 Food Chem. 367, 130743, 2022

Berry fruits consumption has increased in recent years because they are rich sources of polyphenols with reported health benefits. The aim of the present work was to develop a new comprehensive and fast HPLC-MS/MS method for simultaneous determination of 36 phenolic compounds (7 anthocyanins, 9 flavonols, 4 flavan-3-ols, 2 dihydrochalcones, 2 flavanones and 12 phenolic acids) present in blueberry, strawberry, and their fruit jam. Blueberry fruits showed higher contents of anthocyanins, flavonols and phenolic acids, while strawberry fruits exhibited higher contents of flavan-3-ols, dihydrochalcones and flavanones. Anthocyanins were the main phenolic constituents in both berries. Furthermore, the higher total phenolic content in the blueberry fruit and jam justified their greater antioxidant capacity measured by DPPH free radical assay, compared to strawberry. In conclusion, this new HPLC-MS/MS method is useful and reliable for quality control and authentication analyses of blueberry and strawberry fruits and their commercial food products, such as jams.

Active sites of peptides Asp-Asp-Asp-Tyr and Asp-Tyr-Asp-Asp protect against cellular oxidative stress

 Food Chem. 366, 130626, 2022

The protective effects of the peptides Asp-Asp-Asp-Tyr (DDDY) and Asp-Tyr-Asp-Asp (DYDD) against AAPH-induced HepG2 cells are unclear. Our objective was to investigate the active sites of these peptides and their cellular antioxidant mechanism. DDDY and DYDD show a direct free radical scavenging effect in reducing ROS levels and maintained cellular antioxidant enzymes at normal levels. The quantum chemistry analysis of the electronic properties of antioxidant activity showed that DYDD has a greater energy in the highest occupied molecular orbital than DDDY, and O58-H59 and N10-H12 were identified as the active antioxidant sites in DYDD and DDDY, respectively, indicating that the inconsistent arrangement of amino acids affects the distribution of the highest occupied orbital energy as well as the active sites; thus, influences the antioxidant activity of peptides. It provide valuable insights into the antioxidant active sites of peptides.

Molecular Recognition by Pillar[5]arenes: Evidence for Simultaneous Electrostatic and Hydrophobic Interactions

 Pharmaceutics 2022, 14(1), 60

The formation of inclusion complexes between alkylsulfonate guests and a cationic pillar[5]arene receptor in water was investigated by NMR and ITC techniques. The results show the formation of host-guest complexes stabilized by electrostatic interactions and hydrophobic effects with binding constants for the guest with higher hydrophobic character. Structurally, the alkyl chain of the guest is included in the hydrophobic aromatic cavity of the macrocycle while the sulfonate groups are held in the multicationic portal by ionic interactions.

Delineation of molecular interactions of plant growth promoting bacteria induced β-1,3-glucanases and guanosine triphosphate ligand for antifungal response in rice: a molecular dynamics approach

Mol Biol Rep 49, 2579–2589 (2022)

Background

The plant growth is influenced by multiple interactions with biotic (microbial) and abiotic components in their surroundings. These microbial interactions have both positive and negative effects on plant. Plant growth promoting bacterial (PGPR) interaction could result in positive growth under normal as well as in stress conditions.

Methods

Here, we have screened two PGPR’s and determined their potential in induction of specific gene in host plant to overcome the adverse effect of biotic stress caused by Magnaporthe grisea, a fungal pathogen that cause blast in rice. We demonstrated the glucanase protein mode of action by performing comparative modeling and molecular docking of guanosine triphosphate (GTP) ligand with the protein. Besides, molecular dynamic simulations have been performed to understand the behavior of the glucanase-GTP complex.

Results

The results clearly showed that selected PGPR was better able to induce modification in host plant at morphological, biochemical, physiological and molecular level by activating the expression of β-1,3-glucanases gene in infected host plant. The docking results indicated that Tyr75, Arg256, Gly258, and Ser223 of glucanase formed four crucial hydrogen bonds with the GTP, while, only Val220 found to form hydrophobic contact with ligand.

Conclusions

The PGPR able to induce β-1,3-glucanases gene in host plant upon pathogenic interaction and β-1,3-glucanases form complex with GTP by hydrophilic interaction for induction of defense cascade for acquiring resistance against Magnaporthe grisea.

Molecular characterization and genetic diversity studies of Indian soybean (Glycine max (L.) Merr.) cultivars using SSR markers

 Molecular Biology Reports 49, 2129–2140 (2022)

Background

The genetic base of soybean cultivars in India has been reported to be extremely narrow, due to repeated use of few selected and elite genotypes as parents in the breeding programmes. This ultimately led to the reduction of genetic variability among existing soybean cultivars and stagnation in crop yield. Thus in order to enhance production and productivity of soybean, broadening of genetic base and exploring untapped valuable genetic diversity has become quite indispensable. This could be successfully accomplished through molecular characterization of soybean genotypes using various DNA based markers. Hence, an attempt was made to study the molecular divergence and relatedness among 29 genotypes of soybean using SSR markers.

Methods and results

A total of 35 SSR primers were deployed to study the genetic divergence among 29 genotypes of soybean. Among them, 14 primer pairs were found to be polymorphic producing a total of 34 polymorphic alleles; and the allele number for each locus ranged from two to four with an average of 2.43 alleles per primer pair. Polymorphic information content (PIC) values of SSRs ranged from 0.064 to 0.689 with an average of 0.331. The dendrogram constructed based on dissimilarity indices clustered the 29 genotypes into two major groups and four sub-groups. Similarly, principal coordinate analysis grouped the genotypes into four major groups that exactly corresponded to the clustering of genotypes among four sub-groups of dendrogram. Besides, the study has reported eight unique and two rare alleles that could be potentially utilized for genetic purity analysis and cultivar identification in soybean.

Conclusion

In the present investigation, two major clusters were reported and grouping of large number of genotypes in each cluster indicated high degree of genetic resemblance and narrow genetic base among the genotypes used in the study. With respect to the primers used in the study, the values of PIC and other related parameters revealed that the selected SSR markers are moderately informative and could be potentially utilized for diversity analysis of soybean. The clustering pattern of dendrogram constructed based on SSR loci profile displayed good agreement with the cultivar’s pedigree information. High level of genetic similarity observed among the genotypes from the present study necessitates the inclusion of wild relatives, land races and traditional cultivars in future soybean breeding programmes to widen the crop gene pool. Thus, hybridization among diverse gene pool could result in more heterotic combinations ultimately enhancing genetic gain, crop yield and resistance to various stress factors.

Machine Learning Applied to the Oxygen-18 Isotopic Composition, Salinity and Temperature/Potential Temperature in the Mediterranean Sea

 Mathematics 2021, 9(19), 2523

This study proposed different techniques to estimate the isotope composition (δ18O), salinity and temperature/potential temperature in the Mediterranean Sea using five different variables: (i–ii) geographic coordinates (Longitude, Latitude), (iii) year, (iv) month and (v) depth. Three kinds of models based on artificial neural network (ANN), random forest (RF) and support vector machine (SVM) were developed. According to the results, the random forest models presents the best prediction accuracy for the querying phase and can be used to predict the isotope composition (mean absolute percentage error (MAPE) around 4.98%), salinity (MAPE below 0.20%) and temperature (MAPE around 2.44%). These models could be useful for research works that require the use of past data for these variables.

Production of a Potentially Probiotic Product for Animal Feed and Evaluation of Some of Its Probiotic Properties

 Int. J. Mol. Sci. 2021, 22(18), 10004

Nowadays, probiotics have been proposed for substituting antibiotics in animal feed since the European Union banned the latter compounds in 2006 to avoid serious side effects on human health. Therefore, this work aimed to produce a probiotic product for use in animal feed by fed-batch fermentation of whey with a combination of kefir grains, AGK1, and the fermented whole milk used to activate these kefir grains. The probiotic culture obtained was characterized by high levels of biomass (8.03 g/L), total viability (3.6 × 108 CFU/mL) and antibacterial activity (28.26 Activity Units/mL). Some probiotic properties of the probiotic culture were investigated in vitro, including its survival at low pH values, under simulated gastrointestinal conditions, after freezing in skim milk at −20 °C, and in the commercial feed during storage at room temperature. The viable cells of lactic and acetic acid bacteria and yeasts exhibited higher tolerance to acidic pH and simulated gastrointestinal conditions when the cells were protected with skim milk and piglet feed, compared with washed cells. The results indicated the feasibility of producing a probiotic product at a low cost with a potential application in animal feed.

Metal and metalloid profile as a fingerprint for traceability of wines under any Galician protected designation of origin

 Journal of Food Composition and Analysis, 102, 104043, 2021

Effective and cheap methods for detecting fraud and, guaranteeing wine authenticity, are of paramount importance in the sector. In this sense, three different kinds of prediction models (random forest, artificial neural networks, and support vector machines) were developed to classify wines, according to their element contents (metals and metalloids, obtained using an inductively coupled plasma with a quadrupole mass spectrometer, and an optic emission spectrophotometer). One models were developed using 45 inputs variables, and then the models were subjected to a process of reducing variables to simplify models and save material and time costs. A total accuracy was reached in all phases for the white wines-random forest models. From a practical point of view, the accuracy and the errors obtained by the selected models (except for red wines-artificial neural network developed using reduced variables) are acceptable. The models developed with fewer variables, can make the prediction task easier.

Modelling and Prediction of Monthly Global Irradiation Using Different Prediction Models

 Energies 2021, 14(8), 2332

Different prediction models (multiple linear regression, vector support machines, artificial neural networks and random forests) are applied to model the monthly global irradiation (MGI) from different input variables (latitude, longitude and altitude of meteorological station, month, average temperatures, among others) of different areas of Galicia (Spain). The models were trained, validated and queried using data from three stations, and each best model was checked in two independent stations. The results obtained confirmed that the best methodology is the ANN model which presents the lowest RMSE value in the validation and querying phases 1226 kJ/(m2∙day) and 1136 kJ/(m2∙day), respectively, and predict conveniently for independent stations, 2013 kJ/(m2∙day) and 2094 kJ/(m2∙day), respectively. Given the good results obtained, it is convenient to continue with the design of artificial neural networks applied to the analysis of monthly global irradiation.

Assessment of Glyphosate Impact on the Agrofood Ecosystem

 Plants 2021, 10(2), 405

Agro-industries should adopt effective strategies to use agrochemicals such as glyphosate herbicides cautiously in order to protect public health. This entails careful testing and risk assessment of available choices, and also educating farmers and users with mitigation strategies in ecosystem protection and sustainable development. The key to success in this endeavour is using scientific research on biological pest control, organic farming and regulatory control, etc., for new developments in food production and safety, and for environmental protection. Education and research is of paramount importance for food and nutrition security in the shadow of climate change, and their consequences in food production and consumption safety and sustainability. This review, therefore, diagnoses on the use of glyphosate and the associated development of glyphosate-resistant weeds. It also deals with the risk assessment on human health of glyphosate formulations through environment and dietary exposures based on the impact of glyphosate and its metabolite AMPA—(aminomethyl)phosphonic acid—on water and food. All this to setup further conclusions and recommendations on the regulated use of glyphosate and how to mitigate the adverse effects.

Main Applications of Cyclodextrins in the Food Industry as the Compounds of Choice to Form Host–Guest Complexes

 Int. J. Mol. Sci. 2021, 22(3), 1339

Cyclodextrins (CDs) are cyclic oligomers broadly used in food manufacturing as food additives for different purposes, e.g., to improve sensorial qualities, shelf life, and sequestration of components. In this review, the latest advancements of their applications along with the characteristics of the uses of the different CDs (α, β, γ and their derivatives) were reviewed. Their beneficial effects can be achieved by mixing small amounts of CDs with the target material to be stabilized. Essentially, they have the capacity to form stable inclusion complexes with sensitive lipophilic nutrients and constituents of flavor and taste. Their toxicity has been also studied, showing that CDs are innocuous in oral administration. A review of the current legislation was also carried out, showing a general trend towards a wider acceptance of CDs as food additives. Suitable and cost-effective procedures for the manufacture of CDs have progressed, and nowadays it is possible to obtain realistic prices and used them in foods. Therefore, CDs have a promising future due to consumer demand for healthy and functional products. 

Enhancing the saccharification of pretreated chestnut burrs to produce bacteriocins

 Journal of Biotechnology, 329, 13-20

The present study aims to valorize chestnut burrs, an important lignocellulosic waste, through a biorefinery concept. A solid residue rich in glucan (41.36 ± 0.59 %) and lignin (39.06 ± 0.01 %) obtained from a previous process of pre-hydrolysis was subjected to four treatments with water or NaOH to enhance enzymatic hydrolysis. Saccharification was performed using different ratios of commercial cellulases and β-glucosidases and at controlled pH 4.8 or 6.0 (with citrate buffer) or uncontrolled pH. Carbohydrate-rich solutions with or without nutrients were used to produce bacteriocins by Lactobacillus plantarum CECT 211. The use of NaOH at high temperatures (120 and 130 °C) was the most suitable treatment to improve saccharification. Regarding the production of bacteriocins, the best result was obtained using the enzymatic solution obtained at controlled pH 6.0, supplemented with MRS broth nutrients (except glucose). Thus, the concentrations of bacteriocins obtained in this culture medium (9.21 BU/mL) was 1.22 and 1.98 times higher than those obtained in the nutrient supplemented medium buffered at pH 4.8 (7.56 BU/mL) and in the commercial MRS broth (4.65 BU/mL), respectively. These results highlight the feasibility of the technology developed in this work.

Essential Oils as Antimicrobials in Crop Protection

 Antibiotics 2021, 10(1), 34

At present, organic crops have reached an important boom in a society increasingly interested in the conservation of the environment and sustainability. It is evident that a part of the population in the Western world focuses their concern on how to obtain our food and on doing it in a way that is as respectful as possible with the environment. In this review, we present a compilation of the work carried out with the use of essential oils as an alternative in the fight against different bacteria and fungi that attack crops and related products. Given the collected works, the efficacy of essential oils for their use as pesticides for agricultural use is evident. 

HCR 2020

Cuatro investigadores vinculados a nuestro grupo de investigación [AA1] (Grupo de Investigaciones Agro-ambientales y Alimentarias de la Universidad de Vigo)   -Jesús Simal, Francisco J. Barba, Seid Mahdi Jafari e Jian Bo Xiao - han sido reconocidos como HCR (High Cited Researcher) por Clarivate.

Esta mención como HCR implica un reconocimiento a los investigadores como los más influyentes del mundo, como lo demuestra la producción de varios artículos altamente citados citados que se ubican en el primer percentil según las citas por campo en el último decenio (2011-2020) según Web of Science™.

Este hecho situaría a la Universidade de Vigo en el terceiro lugar en el ranking correspondiente, solamente por detrás de la Universidad de Barcelona, la Universidad de Granada, y pondría al grupo de investigación como uno de los referentes en materia de investigaciones agroalimentarias.

Recordemos que la Universidad de Vigo, también aparece en el Ranking de Shanghai, dentro del apartado de Ciencia y Tecnología de los Alimentos (en el que se encuentra encuadrada la actividad investigadora de nuestro grupo) en el rango 51-75 del mundo. Así la Ciencia y Tecnología de los Alimentos es el ámbito de conocimiento mejor situado en todo el Sistema Universitario de Galicia este año 2020.

Up4Health

El proyecto Europeo Up4Health se basa en el aprovechamiento de biomasa generada en procesos que se llevan a cabo en la industria, por ejemplo en bodegas, almazaras, o plantas de procesamiento de frutos secos, de los que se obtienen ingredientes funcionales que pueden usarse en otras industrias de diversa índole, como pueden ser la alimentaria, nutracéutica o cosmética.

En Up4Health, además de aprovechar esta materia prima residual rica en compuestos bioactivos, se optimiza la cadena de valor de las industrias productivas del sector alimenticio persiguiendo el objetivo de “residuo cero”, lo que hace que además de ser un proyecto innovador, sea sostenible.

Los ingredientes funcionales de los que hablamos son los siguientes: agua de fruta natural rica en polifenoles, fibra dietética rica en polifenoles, extractos oleosos naturales de frutas y xilooligosacáridos prebióticos. Las aplicaciones en las que se podrán utilizar estos compuestos bioactivos van desde los alimentos funcionales, como productos cárnicos, barritas snack saludables, alimentos suaves para personas mayores, soluciones bebibles en forma de gel, aceite de oliva, bebidas naturales, yogurt, hasta los suplementos nutracéuticos e incluso los cosméticos.

En este proyecto, financiado por el programa H2020, colaboran nueve organizaciones de cinco países distintos  se realiza en colaboración con la empresa AMEREX, que aplicará diversos polifenoles extraídos de harina de fibra de oliva y uva en algunos productos de la industria alimentaria, con el objetivo de retrasar los procesos oxidativos y aumentar la vida útil del producto final.

(blog del proyecto aqui)

Jesús Simal, medalla de la Real Academia Galega de Ciencias

Una das Medallas de Investigación que a Real Academia Galega de Ciencias terá como destinatario o coordinador do grupo AA1,  Jesús Simal, en particular na sección de Química e Xeoloxía. A entrega das medallas será lugar o día 8 de octubre no Colexio de Fonseca (USC) 

Poderá seguirse a retransmisión da entrega de premios en directo a través de @RAGalegaCiencia en Twiter ou ben a través de este enlace

Enlaces de Prensa:

• Diario da Universidade de Vigo
• GCiencia
• El Faro de Vigo
• Atlántico Diario
• La Región
• Galicia Press
• Galicia Conficencial
• Vigo Hoy

Extraction, Properties, and Applications of Bioactive Compounds Obtained from Microalgae

 Current Pharmaceutical Design, 2020, 26, 1929-1950

DOI: 10.2174/1381612826666200403172206

With the increase in the global population, getting new sources of food is essential. One of the solutions can be found in the oceans due to algae. Microalgae are aquatic photosynthetic organisms used mainly due to their variety of bioactive compounds. The consumption of microalgae has been carried out for centuries and is recommended by organizations, such as OMS and FAO, due to its nutritional value and its properties. Based on the existing literature, there is substantial evidence of the nutritional quality of the algae as well as their functional elements. However, much quantification is still necessary, as well as studying possible adverse effects. The present review describes the compounds of alimentary interest present in these algae as well as different extraction techniques assisted by different energetic mechanisms (such as heat, supercritical-fluid, microwave, ultrasound, enzymes, electric field, high hydrostatic pressure, among others). The most challenging and crucial issues are reducing microalgae growth cost and optimizing extraction techniques. This review aimed a better understanding of the uses of microalgae for new researches in nutrition. Since the use of microalgae is still a field in which there is much to discover, it is likely that more benefits will be found in its consumption.

Main bioactive phenolic compounds in marine algae and their mechanisms of action supporting potential health benefits

 Food Chemistry, 2020, 341, 128262

DOI:10.1016/j.foodchem.2020.128262

Given the growing tendency of consumers to choose products with natural ingredients, food industries have directed scientific research in this direction. In this regard, algae are an attractive option for the research, since they can synthesize a group of secondary metabolites, called phenolic compounds, associated with really promising properties and bioactivities. The objective of this work was to classify the major phenolic compounds, compare the effectiveness of the different extractive techniques used for their extraction, from traditional systems (like heat assisted extraction) to the most advance ones (such as ultrasound, microwave or supercritical fluid extraction); the available methods for identification and quantification; the stability of the enriched extract in phenolic compounds and the main bioactivities described for these secondary metabolites, to offer an overview of the situation to consider if it is possible and/or convenient an orientation of phenolic compounds from algae towards an industrial application.

Edible flowers as functional raw materials: A review on anti-aging properties

 Trends in Food Science & Technology, 2020, 106, 30-47

DOI:10.1016/j.tifs.2020.09.023

Background

Diet is a major determinant of aging and lifespan. Development and utilization of food resources with potential anti-aging activity have attracted increasing attention from researchers. Because of their peculiar flavour, aroma and colour, as well as enriched nutrients and phytochemicals, edible flowers have emerged as a new trend for human nutrition. More importantly, a growing body of evidence suggests flowers have potential effects against aging. However, these properties have yet to be systematically understood.

Scope and approach

In this review, we used comprehensive literature retrieval to summarize the major aspects of edible flowers’ anti-aging properties, including effects, active components, and applications. Relevant research articles published in English with no restrictions on publication date have been considered.

Key findings and conclusions

This review found evidence that edible flowers are promising raw materials for prevention or amelioration of skin aging, immunosenescence, neurodegeneration, and even extension of lifespan. Active ingredients in these flowers, including flavonoids, phenolic acids, carotenoids, phenylethanoid glycosides, polysaccharides, etc. may function through the inhibition of oxidative stress, inflammation, apoptosis and regulation of the insulin/insulin-like growth factor-1 (IIS) pathway. In addition to their use in traditional food and medicine, some flower extracts or main components have been developed for health care food or skin care products. These findings suggest that despite the partial restriction of harvest, storage and safety, edible flowers are worthy of further investigation to promote healthy aging.

Macroalgae as a Source of Valuable Antimicrobial Compounds: Extraction and Applications

 Antibiotics 2020, 9(10), 642

 DOI:10.3390/antibiotics9100642

In the last few decades, attention on new natural antimicrobial compounds has arisen due to a change in consumer preferences and the increase in the number of resistant microorganisms. Macroalgae play a special role in the pursuit of new active molecules as they have been traditionally consumed and are known for their chemical and nutritional composition and their biological properties, including antimicrobial activity. Among the bioactive molecules of algae, proteins and peptides, polysaccharides, polyphenols, polyunsaturated fatty acids and pigments can be highlighted. However, for the complete obtaining and incorporation of these molecules, it is essential to achieve easy, profitable and sustainable recovery of these compounds. For this purpose, novel liquid–liquid and solid–liquid extraction techniques have been studied, such as supercritical, ultrasound, microwave, enzymatic, high pressure, accelerated solvent and intensity pulsed electric fields extraction techniques. Moreover, different applications have been proposed for these compounds, such as preservatives in the food or cosmetic industries, as antibiotics in the pharmaceutical industry, as antibiofilm, antifouling, coating in active packaging, prebiotics or in nanoparticles. This review presents the main antimicrobial potential of macroalgae, their specific bioactive compounds and novel green extraction technologies to efficiently extract them, with emphasis on the antibacterial and antifungal data and their applications.

Use of Spectroscopic Techniques to Monitor Changes in Food Quality during Application of Natural Preservatives: A Review

 Antioxidants 2020, 9(9), 882

DOI:10.3390/antiox9090882

Consumer demand for food of high quality has driven research for alternative methods of food preservation on the one hand, and the development of new and rapid quality assessment techniques on the other hand. Recently, there has been a growing need and interest in healthier food products, which has led to an increased interest in natural preservatives, such as essential oils, plant extracts, and edible films and coatings. Several studies have shown the potential of using biopreservation, natural antimicrobials, and antioxidant agents in place of other processing and preservation techniques (e.g., thermal and non-thermal treatments, freezing, or synthetic chemicals). Changes in food quality induced by the application of natural preservatives have been commonly evaluated using a range of traditional methods, including microbiology, sensory, and physicochemical measurements. Several spectroscopic techniques have been proposed as promising alternatives to the traditional time-consuming and destructive methods. This review will provide an overview of recent studies and highlight the potential of spectroscopic techniques to evaluate quality changes in food products following the application of natural preservatives.

Valorization of by-products from olive oil industry and added-value applications for innovative functional foods

 Food Research International, 2020, 137, 109683

DOI:10.1016/j.foodres.2020.109683

Background

In the last years, the consumption of olive oil has experienced a sharp rise due to its organoleptic and healthy properties and with this the wastes and by-products derived from the olive production and the olive oil industry have also increased causing important environmental and economic issues. However, the high content in bioactive compounds of these wastes and by-products makes that its recovery is both a great challenge and an excellent opportunity for the olive oil sector.

Aim of the review

This review encompasses the more outstanding aspects related to the advances achieved until date in the olive oil by-products valorisation and added-value applications for innovative functional foods.

Conclusion

Taking into account the information reported in this manuscript, the development of a multiproduct biorefinery in cascade using eco-friendly technologies interchangable seems a suitable stratety to obtaining high added value compounds from olive oil by-products with applications in the field of innovative functional foods. In addition, this would allow an integral valorization of these residues enhancing the profitability of the olive oil industry. On the other hand, the biocompounds fom olive oil by-products have been described by their interesting bioactivities with beneficial properties for the consumers’ health; therefore, their incorporation into the formulation of functional foods opens new possibilities in the field of innovative foods.

Future perspective

Despite the studies descibed in the literature, more research on the healthy properties of the recovered compounds and their interactions with food components is key to allow their reintegration in the food chain and therefore, the removal of the olive oil by-products.

Non-invasive biomonitoring of organic pollutants using feather samples in feral pigeons (Columba livia domestica)

 Environmental Pollution, 2020, 267, 115672

DOI:10.1016/j.envpol.2020.115672

A large portion of organic pollutants (OPs) represent a potential hazard to humans and living beings due to their toxic properties. For several years, birds have been used as biomonitor species of environmental pollution. Polychlorinated biphenyls (PCBs), organochlorine pesticides (OCPs), polybrominated biphenyl ethers (PBDEs), organophosphate pesticides (OPPs), polycyclic aromatic hydrocarbons (PAHs) and pyrethroids (PYRs) were assessed in body feather samples of 71 feral pigeons (Columba livia domestica) collected from Asturias and Galicia (NW Spain). The percentage of detection for all chemical groups were above 90% in studied birds. The general pattern was dominated by PAHs (mean value ± standard deviation (SD) 32 ± 15 ng/g) followed by OCPs (3.8 ± 1.1 ng/g), PYRs (3.4 ± 3.8 ng/g), PCBs (1.6 ± 1.0 ng/g), OPPs (1.3 ± 0.70 ng/g) and PBDEs (0.80 ± 0.30 ng/g). Significant differences were observed between age, location and gender suggesting different sources of exposure and accumulation pathways.

Value-Added Compound Recovery from Invasive Forest for Biofunctional Applications: Eucalyptus Species as a Case Study

 Molecules 2020, 25(18), 4227

From ancient times, the medicinal properties of the different Eucalyptus species are well known. In fact, plants from this family have been used in folk medicine as antiseptics, and to treat different ailments of the upper respiratory tract such as sinus congestion, common cold, or influenza. Moreover, other biological activities were described for Eucalyptus species such as antioxidant and antimicrobial properties. In the last few decades, numerous investigations revealed that the compounds responsible for these properties are secondary metabolites that belonging to the group of phenolic compounds and are present in different parts of the plants such as leaves, bark, wood, fruits, and stumps. The increasing demand for natural compounds that can substitute synthetic antioxidants and the increase in resistance to traditional antibiotics have boosted the intense search for renewable natural sources containing substances with such bioactivities, as well as greener extraction technologies and avant-garde analytical methods for the identification of the target molecules. The literature data used in this paper were collected via Scopus (2001–2020) using the following search terms: Eucalyptus, extraction methods, phenolic compounds, and biological activities. This review collects the main studies related to the recovery of value-added compounds from different Eucalyptus species, as well as their biofunctional applications.

Biological Evaluation, DFT Calculations and Molecular Docking Studies on the Antidepressant and Cytotoxicity Activities of Cycas pectinata Buch.-Ham. Compounds

 Pharmaceuticals 2020, 13(9), 232

https://doi.org/10.3390/ph13090232

Cycas pectinata Buch.-Ham. is commonly used in folk medicine against various disorders. The present study investigated the antidepressant and cytotoxicity activity of methanol extract of C. pectinata (MECP) along with quantitative phytochemical analysis by GC-MS method. Here, the GC-MS study of MECP presented 41 compounds, among which most were fatty acids, esters, terpenoids and oximes. The antidepressant activity was assessed by the forced swimming test (FST) and tail suspension test (TST) models. In contrast, MECP (200 and 400 mg/kg) exhibited a significant and dose-dependent manner reduction in immobility comparable with fluoxetine (10 mg/kg) and phenelzine (20 mg/kg). MECP showed a weak toxicity level in the brine shrimp lethality bioassay (ED50: 358.65 µg/mL) comparable to the standard drug vincristine sulfate (ED50: 2.39 µg/mL). Three compounds from the GC-MS study were subjected to density functional theory (DFT) calculations, where only cyclopentadecanone oxime showed positive and negative active binding sites. Cyclopentadecanone oxime also showed a good binding interaction in suppressing depression disorders by blocking monoamine oxidase and serotonin receptors with better pharmacokinetic and toxicological properties. Overall, the MECP exhibited a significant antidepressant activity with moderate toxicity, which required further advance studies to identify the mechanism.

Special Issue about the “Artificial Intelligence (AI) in Agriculture”

 

For the past few years, the increasing world population has given place to an increase in the demand for food products.

A large number of variables (agronomic, climatic, political, economic, etc.) can influence on agricultural production. All these features give rise to a large database that can be used to develop tools aimed at improving the management practices, production, harvesting, processing, conservation, selling and subsequent waste treatment that could solve the future challenges related to the climate variation, proliferation of diseases, crops improve and supply.

These tools, from the simplest (regression) to the most complex (neural networks, vector support machines, among others) allow to expand the existing knowledge to the entire agricultural process (from cradle to cradle).

The aim of this Special Issue about the “Artificial Intelligence (AI) in Agriculture” is to collect the most recent research using any kind of AI model related (but not limited) to: machine learning, remote sensing, machine vision, modelling, prediction, optimization, decision support, food authenticity, big data, blockchain, etc.

You are welcome to send research articles, reviews, communications and concept papers. Manuscripts should be submitted online at www.mdpi.com

Keywords

• Artificial Intelligence
• Machine learning
• Deep learning
• Image Analysis/Processing
• Computer Vision
• Internet of Things (IoT)
• Big Data/Cloud Computing
• Remote Sensing
• Modelling/Prediction/Optimization
• Decision support

Jesús Simal, Académico de Número en la Real Academia de Farmacia de Galicia

 

El coordinador del grupo AA1, Jesús Simal Gándara, entrará a formar parte de la Real Academia de Farmacia de Galicia, RAFG, como miembro numerario. Centrará su discurso en la sostenibilidad del sistema de producción y consumo de alimentos -La ceremonia, pendiente del Covid-19.

Special Issue on “The Application of Artificial Intelligent in Hydrology”

Over the last few decades, the use of artificial intelligence (AI) has experienced a high increase in a wide variety of research fields. This kind of models are characterized as powerful tools to obtain information which would otherwise be very complicated or impossible to get. AI models, together with the large amount of hydrologycal data currently available, provide the ideal conditions to create tools aimed at managing water supply, predicting flood and drought, monitoring water quality, optimizing irrigation schemes, managing dams, determining carbonate saturation, evaluating the sedimentation process, and modeling the contaminant transport, among others. All the AI models, from the simplest to the most complex, such as random forest or neural networks, therefore allow expanding the existing knowledge about the complex water system.

The aim of this Special Issue on “The Application of Artificial Intelligent in Hydrology” is to present the state-of-the-art related (but not limited) to the study of movements, distribution, and management of water in nature.

We invite authors to submit research articles, reviews, communications, and concept papers that demonstrate the high potential of artificial intelligence in the hydrological field.

Keywords

• Artificial intelligence
• Machine learning
• Big data/Cloud computing
• Monitoring/Modelling/Prediction/Optimization
• Flow prediction
• Water quality
• Water supply
• Management
• Risk assessment
• Multidisciplinary research

Manuscripts should be submitted online at www.mdpi.com.

Management of Wine Aroma Compounds: Principal Basis and Future Perspectives

Book Chapter in: 

Winemaking - Stabilization, Aging Chemistry and Biochemistry

DOI: 10.5772/intechopen.92973

Wine’s aroma is defined by volatile and non-volatile compounds that contribute to its make-up. The complex variety of volatile compounds, coming from grapes, interact with other non-volatile substances of the wine as precursors of wine’s aroma, known as primary aromas, which give the aroma of the young wine. The volatile compounds present in the skin and in the grape juice change according to the grape variety. Most of wine volatile compounds responsible for aroma are linked to sugars and they initially form odorless glycosides. Through the process of hydrolysis, they are reverted into an aromatic form. Chemical reactions among these compounds occur during the fermentation and in the first months of a wine’s existence, triggering fast and multiple modifications in wine’s aroma at this point. As wine ages and matures, changes and development in aroma will continue to take place but at a slower and more gradual pace. The study of the compounds responsible for aroma and flavor, as well as their correlation with the wine quality, is ongoing. Improving the knowledge of wine aromatic compounds could increase the risk of its potential adulteration; however, consumers prefer wine for its natural origin, so this scenario is unlikely in the future.

Metabolites from Macroalgae and Its Applications in the Cosmetic Industry: A Circular Economy Approach

 Resources 2020, 9(9), 101

DOI:10.3390/resources9090101

Marine macroalgae are a suitable source of ingredients due to their huge diversity, availability and nutritional and chemical composition. Their high content in proteins, carbohydrates and vitamins, but also in secondary metabolites such as phenolic compounds, terpenoids or pigments, make them great candidates for industrial applications. The cosmetic industry is one of the biggest in the world and the search for new ingredients is constantly growing as the consumer trend now is going back to those traditional cosmetics with a more natural composition. Moreover, the concept of a circular economy is also gaining importance due to the unsustainable situation of the natural resources. Although macroalgae are already used in cosmetics, especially as thickening and gelling agents, they possess an unexplored potential, not only as excipients and additives but also as a source of new active ingredients. In this context, macroalgae are considered in many cases as resources still underexploited and they could even be obtained from the waste of other industrial sectors and be used for recovering active molecules. Therefore, the aim of this review is to compile information about the different macroalgae metabolites and their possible applications in the cosmetic industry, which could employ circular economy models. 

Wine Aging Technology: Fundamental Role of Wood Barrels

 Foods 2020, 9(9), 1160

DOI:10.3390/foods9091160

The aging of wines is a process used to preserve wine but also to enhance its properties. It is a process of great interest, mainly because of the additional properties it adds to wines and because of its economic implications. Historically, barrels have been employed for centuries for preserving and aging wine due to their resistance and relative impermeability. In general terms, the wine aging process can be divided into two phases: oxidative and reductive aging. Oxidative aging traditionally takes place in barrels while reductive phase occurs in the bottle. During both processes, oxygen plays a fundamental role as well as other factors, for instance: temperature, light, bottle position, microbial growth or storage time. Likewise, during the aging process, a series of chemical reactions take place influencing the composition and organoleptic profile of wine. At this point, oxidative aging in barrels is a fundamental step. Barrels are directly involved in the produced changes on wine’s composition due to the transference of oxygen and phenolic and aromatic compounds from wood to wine. This way, barrels act as an active vessel capable of releasing compounds that affect and improve wine’s characteristics. Regarding, the importance of barrels during aging process, some attention must be given to the species most used in cooperage. These species are conventionally oak species, either French or American. However, other non-conventional species are currently being studied as possible wood sources for the production of wines, such as chestnut robinia or other oak species. In the last decades, new approaches have been developed for barrel aging to find new alternatives more suitable, affordable and feasible to sanitize the process, such as other materials different from wood or the use of wood chips, which is regulated since 2006 by the EU. However, even though some of them have shown promising data, barrels are currently the most used technology for the oxidative stage of table wines aging. 

Scientific Approaches on Extraction, Purification and Stability for the Commercialization of Fucoxanthin Recovered from Brown Algae

 Foods 2020, 9(8), 1113

DOI:10.3390/foods9081113

The scientific community has corroborated the numerous beneficial activities of fucoxanthin, such as its antioxidant, anti-inflammatory, anticancer or neuroprotective effects, among others. These properties have attracted the attention of nutraceutical, cosmetic and pharmacological industries, giving rise to various possible applications. Fucoxanthin may be chemically produced, but the extraction from natural sources is considered more cost-effective, efficient and eco-friendly. Thus, identifying suitable sources of this compound and giving a general overview of efficient extraction, quantification, purification and stabilization studies is of great importance for the future production and commercialization of fucoxanthin. The scientific research showed that most of the studies are performed using conventional techniques, but non-conventional techniques begin to gain popularity in the recovery of this compound. High Performance Liquid Chromatography (HPLC), Nuclear Magnetic Resonance (NMR) and spectroscopy techniques have been employed in the quantification and identification of fucoxanthin. The further purification of extracts has been mainly accomplished using purification columns. Finally, the stability of fucoxanthin has been assessed as a free molecule, in an emulsion, or encapsulated to identify the variables that might affect its further industrial application.

Effect of polyphenols on HER2-positive breast cancer and related miRNAs: Epigenomic regulation

 Food Research International, 2020, 137, 109623

DOI:10.1016/j.foodres.2020.109623

HER2-positive breast cancer is one of the most aggressive subtypes accounting for nearly 30% of diagnosed cases. It is associated with reduced disease-free survival, tumor invasiveness, and a poor overall prognosis. Unfortunately, numerous patients develop resistance to conventional therapies; therefore, many ongoing clinical trials are testing new possible treatments. Polyphenols are the main bioactive components of the Mediterranean diet with multiple beneficial properties playing a key role in cancer prevention through epigenetic regulation. Aberrant variations in microRNAs levels regulating oncogenes or tumor suppressor genes expression may lead to tumor development. Evidence has shown that dietary polyphenols modulate HER2-positive breast cancer-associated microRNAs, resulting in a reduction of tumor growth and metastatic potential, and chemosensitivity restoration without displaying toxicity-derived adverse effects. These beneficial properties make polyphenols a potential therapeutic approach for HER2-positive breast cancer patients in the clinical setting, alone or in combination with conventional therapies.

Application of Novel Techniques for Monitoring Quality Changes in Meat and Fish Products during Traditional Processing Processes: Reconciling Novelty and Tradition

 Processes 2020, 8(8), 988

DOI:10.3390/pr8080988

In this review, we summarize the most recent advances in monitoring changes induced in fish and other seafood, and meat and meat products, following the application of traditional processing processes by means of conventional and emerging advanced techniques. Selected examples from the literature covering relevant applications of spectroscopic methods (i.e., visible and near infrared (VIS/NIR), mid-infrared (MIR), Raman, nuclear magnetic resonance (NMR), and fluorescence) will be used to illustrate the topics covered in this review. Although a general reluctance toward using and adopting new technologies in traditional production sectors causes a relatively low interest in spectroscopic techniques, the recently published studies have pointed out that these techniques could be a powerful tool for the non-destructive monitoring and process optimization during the production of muscle food products.

Gas Chromatographic Fingerprinting Coupled to Chemometrics for Food Authentication

 Food Reviews International, 2020, 36, 384-427

DOI: 10.1080/87559129.2019.1649691

Fingerprinting has become a powerful device in food authentication activities. Food products can be verified based on their chemical composition, geographical origin, specified botanical sources or possible adulterations by fingerprinting gas chromatographic chemical analysis and a subsequent multivariate data analysis. Although fingerprinting approaches have already been used successfully in many research projects, feasibility and employment in routine daily tests and food composition monitoring are not still widespread. Within this review, food fingerprinting studies in gas chromatographic methods for different food product categories were selected by a systematic search method. The studies were examined for chemometrics techniques, identification of effective variables, method validation and quality assurance parameters. In this way, the research activities could be considered as an effective starting point to establish fingerprinting techniques for food authentication in wide industrial scale in the future.

Bioactive Compounds and Quality of Extra Virgin Olive Oil

 Foods 2020, 9(8), 1014

DOI:10.3390/foods9081014

Background: 

Extra virgin olive oil (EVOO) is responsible for a large part of many health benefits associated to Mediterranean diet as it is a fundamental ingredient of this diet. The peculiarities of this golden, highly valued product are in part due to the requirements that must be met to achieve this title, namely, it has to be obtained using exclusively mechanical procedures, its free acidity cannot be greater than 0.8%, it must not show sensory defects, and it has to possess a fruity taste. 

Methods: 

All these characteristics are key factors to EVOO quality, thus the chemical composition of these many health-promoting compounds, such as unsaturated fatty acids (which are also the major compounds, especially oleic acid), as well as minor components such as tocopherols or phenolic compounds (which behave as natural antioxidants) must be preserved. 

Results: 

Due to the presence of all these compounds, the daily consumption of EVOO entails health benefits such as cardioprotective, antioxidant, anti-inflammatory, anti-tumor properties or acting as regulator of the intestinal microbiota, among others. 

Conclusions: 

Taking all together, conserving EVOO chemical composition is essential to preserve its properties, so it is worth to control certain factors during storage like exposure to light, temperature, oxygen presence or the chosen packaging material, to maintain its quality and extend its shelf-life until its consumption.

Influence of tetraconazole on the proteome profile of Saccharomyces cerevisiae Lalvin T73™ strain

Journal of Proteomics, 2020, 227, 103915 

DOI:10.1016/j.jprot.2020.103915

This work aimed to evaluate the modifications on the proteome profile of Saccharomyces cerevisiae T73™ strain as a consequence of its adaptive response to the presence of tetraconazole molecules in the fermentation medium. Pasteurised grape juices were separately supplemented with tetraconazole or a commercial formulation containing 12.5% w/v of tetraconazole at two concentration levels. In addition, experiments without fungicides were developed for comparative purposes.

Proteome profiles of yeasts cultured in the presence or absence of fungicide molecules were different. Independently of the fungicide treatment applied, the highest variations concerning the control sample were observed for those proteins involved in metabolic processes, especially in the metabolism of nitrogen compounds. Tetraconazole molecules altered the abundance of several enzymes involved in the biosynthesis of amino acids, purines, and ergosterol. Moreover, differences in the abundance of several enzymes of the TCA cycle were found. Changes observed were different between the active substance and the commercial formulation.

Significance

The presence of fungicide residues in grape juice has direct implications on the development of the aromatic profile of the wine. These alterations could be related to changes in the secondary metabolism of yeasts. However, the molecular mechanisms involved in the response of yeasts to fungicide residues remains quite unexplored. Through this exhaustive proteomic study, alterations in the amino acids biosynthesis pathways due to the presence of the tetraconazole molecules were observed. Amino acids are precursors of some important higher alcohols and ethyl acetates (such as methionol, 2-phenylethanol, isoamyl alcohol or 2-phenylacetate). Besides, the effect of tetraconazole on the ergosterol biosynthesis pathway could be related to a higher production of medium-chain fatty acids and their corresponding ethyl acetates.

Potential Health Benefit of Garlic Based on Human Intervention Studies: A Brief Overview

 Antioxidants 2020, 9(7), 619 

DOI: 10.3390/antiox9070619

Garlic is a polyphenolic and organosulfur enriched nutraceutical spice consumed since ancient times. Garlic and its secondary metabolites have shown excellent health-promoting and disease-preventing effects on many human common diseases, such as cancer, cardiovascular and metabolic disorders, blood pressure, and diabetes, through its antioxidant, anti-inflammatory, and lipid-lowering properties, as demonstrated in several in vitro, in vivo, and clinical studies. The present review aims to provide a comprehensive overview on the consumption of garlic, garlic preparation, garlic extract, and garlic extract-derived bioactive constituents on oxidative stress, inflammation, cancer, cardiovascular and metabolic disorders, skin, bone, and other common diseases. Among the 83 human interventional trials considered, the consumption of garlic has been reported to modulate multiple biomarkers of different diseases; in addition, its combination with drugs or other food matrices has been shown to be safe and to prolong their therapeutic effects. The rapid metabolism and poor bioavailability that have limited the therapeutic use of garlic in the last years are also discussed.

Stability assessment of extracts obtained from Arbutus unedo L. fruits in powder and solution systems using machine-learning methodologies

 Food Chem. 2020, 333,127460

Arbutus unedo L. (strawberry tree) has showed considerable content in phenolic compounds, especially flavan-3-ols (catechin, gallocatechin, among others). The interest of flavan-3-ols has increased due their bioactive actions, namely antioxidant and antimicrobial activities, and by association of their consumption to diverse health benefits including the prevention of obesity, cardiovascular diseases or cancer. These compounds, mainly catechin, have been showed potential for use as natural preservative in foodstuffs; however, their degradation is increased by pH and temperature of processing and storage, which can limit their use by food industry. To model the degradation kinetics of these compounds under different conditions of storage, three kinds of machine learning models were developed: i) random forest, ii) support vector machine and iii) artificial neural network. The selected models can be used to track the kinetics of the different compounds and properties under study without the prior knowledge requirement of the reaction system.

Preventive potential and mechanism of dietary polyphenols on the formation of heterocyclic aromatic amines

 Food Frontiers, 2020, 1, 134-151

https://doi.org/10.1002/fft2.30

Thermal processing is the most important and popular domestic cooking method. More than 30 heterocyclic aromatic amines have been identified in cooked meat using various methods. This review highlights preventive potential and mechanism of dietary polyphenols on the formation of heterocyclic amines. Tea, coffee, fruits, vegetable, and spice extracts rich in polyphenols exerted significant inhibition against the formation of heterocyclic aromatic amines. Some polyphenols, such as naringenin and epigallocatechin 3‐O‐gallate, can actively participate into food chemistry reaction to trap Strecker aldehyde and lower the formation of heterocyclic aromatic amines. In addition, some polyphenols can lower the mutagenicity of heterocyclic aromatic amines. More specifically, polyphenols possessing two hydroxyl groups at the meta position of aromatic ring are the most efficient one, but the presence of carboxylic or alkyl groups as substituents in the aromatic ring slightly reduced the inhibitory effect.

Application of Rank Annihilation Factor Analysis for Antibacterial Drugs Determination by Means of pH Gradual Change-UV Spectral Data

 Antibiotics 2020, 9(7), 383

DOI: 10.3390/antibiotics9070383

The main objective of this study was to develop a simple and efficient spectrophotometric technique combined with chemometrics for the simultaneous determination of sulfamethoxazole (SMX) and trimethoprim (TMP) in drug formulations. Specifically, we sought: (i) to evaluate the potential use of rank annihilation factor analysis (RAFA) to pH gradual change spectrophotometric data in order to provide sufficient accuracy and model robustness; and (ii) to determine SMX and TMP concentration in drug formulations without tedious pre-treatments such as derivatization or extraction techniques which are time-consuming and require hazardous solvents. In the proposed method, the spectra of the sample solutions at different pH values were recorded and the pH-spectra bilinear data matrix was generated. On these data, RAFA was then applied to estimate the concentrations of SMX and TMP in synthetic and real samples. Applying RAFA showed that the two drugs could be determined simultaneously with concentration ratios of SMX to TMP varying from 1:30 to 30:1 in the mixed samples (concentration range is 1–30 µg mL−1 for both components). The limits of detection were 0.25 and 0.38 µg mL−1 for SMX and TMP, respectively. The proposed method was successfully applied to the simultaneous determination of SMX and TMP in some synthetic, pharmaceutical formulation and biological fluid samples. In addition, the means of the estimated RSD (%) were 1.71 and 2.18 for SMX and TMP, respectively, in synthetic mixtures. The accuracy of the proposed method was confirmed by spiked recovery test on biological samples with satisfactory results (90.50–109.80%).

Stability assessment of extracts obtained from Arbutus unedo L. fruits in powder and solution systems using machine-learning methodologies

 Food Chemistry, 2020, 33, 127460

DOI:10.1016/j.foodchem.2020.127460

Arbutus unedo L. (strawberry tree) has showed considerable content in phenolic compounds, especially flavan-3-ols (catechin, gallocatechin, among others). The interest of flavan-3-ols has increased due their bioactive actions, namely antioxidant and antimicrobial activities, and by association of their consumption to diverse health benefits including the prevention of obesity, cardiovascular diseases or cancer. These compounds, mainly catechin, have been showed potential for use as natural preservative in foodstuffs; however, their degradation is increased by pH and temperature of processing and storage, which can limit their use by food industry. To model the degradation kinetics of these compounds under different conditions of storage, three kinds of machine learning models were developed: i) random forest, ii) support vector machine and iii) artificial neural network. The selected models can be used to track the kinetics of the different compounds and properties under study without the prior knowledge requirement of the reaction system.