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Poultry wastes are rich in organic matter, allowing their use as substrates for biogas production by anaerobic digestion (AD). The major difficulty in the anaerobic digestion of this protein-rich waste is ammonia inhibition. Different results of biochemical methane potential (BMP) were obtained after the mesophilic anaerobic digestion of different avian waste in batch mode. It was shown that using two different inoculum (Liger and Saint-Brieuc) sources and different substrate-to-inoculum (S/I) ratios does not have a significant effect on the biochemical methane potential of organic laying hen droppings (OLHD); an average of 0.272 Nm 3 CH 4 ·kg -1 ·VS was obtained with both inocula. Otherwise, it affects the hydrolysis constant K H , and it decreases when the substrate-to-inoculum ratio increases. Furthermore, Liger is the most suitable inoculum for our substrate because it shows stability during the process even with different organic loads. Comparing the biochemical methane potential of multiple avian wastes such as organic laying hen droppings and different slaughterhouse waste highlights the importance of slaughterhouse waste in the anaerobic digestion process because of the high methane yield observed especially with the viscera (0.779 Nm 3 CH 4 ·kg -1 VS, SD = 0.027 Nm 3 CH 4 ·kg -1 VS). Moreover, methane production was affected by increasing the ammonia concentrations; when [N-NH 3 ] > 9.8 g·N-NH 3 ·L -1 , the biochemical methane potential decreases and the lag phase increases ( λ  > 30 days); a total inhibition of the process was observed when ammonia concentration is above 21.8 g·L -1 .

"Intensification of Vaporization by Decompression to the Vacuum" (IVDV) has initially emerged as a technology primarily employed for expanding and enhancing the texture of biological products. However, its recent applications have showcased significant promise in the realm of extracting bioactive molecules from various plant materials. In this context, optimization using response surface methodology was conducted to investigate the impact of IVDV pretreatment on the extractability of phenolic compounds from Eryngium creticum leaves and stems, as well as their biological activities. Using IVDV preceding the extraction led to higher total phenolic content (TPC) and enhanced antiradical activities in treated materials compared to untreated ones. The optimal processing conditions in terms of water content, steam pressure and treatment time were determined in order to maximize TPC (89.07 and 20.06 mg GAE/g DM in leaves and stems, respectively) and antiradical (DPPH) inhibition percentage (93.51% and 27.54% in leaves and stems, respectively). IVDV-treated extracts showed superior antioxidant, antibacterial and antibiofilm capacities compared to raw extracts. Using RP-UHPLC-PDA-MS, caffeic acid and rosmarinic acid were identified in IVDV-treated leaves. IVDV can be implemented as an innovative treatment applied prior to extraction to boost the recovery of biomolecules from plant matrices., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2024 The Authors.)

Grape seed of Obeidi, a white Lebanese autochthonous variety, was previously tested in different studies as a valuable source of bioactive molecules such as polyphenols, oils, and proteins by means of extraction procedures for the development of cosmetic and therapeutic products. However, an un-valorized, exhausted grape seed residue remains as "secondary waste" after the extraction processes. In this study, the exhausted seeds have been further exploited to produce cosmetic scrubs capable of releasing antioxidant molecules during the exfoliation process, in accordance with the principles of the circular economy and going toward a zero-waste process. The deep characterization of the exhausted seeds confirmed the presence of antioxidant phenolic molecules including gallic acid, catechins and protocatechuic acid (0.13, 0.126, and 0.089 mg/g of dry matter DM), and a high phenolic content (11.85 mg gallic acid equivalents (GAE)/g of dry matter (DM)). Moreover, these residues were shown to possess a sandy texture (Hausner ratio (HR): 1.154, Carr index (CI): 0.133, and angle of repose: 31.62 (°) degrees), similar to commercial natural exfoliants. In this respect, exhausted Obeidi grape seed residues were incorporated at increasing concentrations (0.5, 1, 1.5, and 2% w / w ) in a cosmetic scrub, and stored for 5 weeks at 4, 25, and 50 °C for stability testing. All tested scrub formulations exhibited good spreadability with a spread diameter of 3.6-4.7 cm and excellent physical stability, as no phase separation or color change were observed after four cycles of heat shock at 4 and 50 °C. Finally, an in vivo skin irritation test showed that the scrub enriched with 1.5% of exhausted Obeidi grape seed residues was the most promising formulation, as it possessed a high amount of phenolic molecules (0.042 ± 0.001 mg GAE/mL of scrub) and good stability and could be safely applied to the skin with no irritation phenomena. Overall results underlined that exhausted grape seed residues can be transformed into promising systems for both physical and chemical exfoliation, thus confirming the importance of the effective exploitation of agro-industrial by-products for the development of high value cosmeceutics towards a more sustainable and zero-waste approach.

Extraction of polyphenols from Centranthus longiflorus stems was conducted using ultrasound and infrared Ired-Irrad ® techniques, and compared to the conventional water bath method. Response surface methodology was used to analyse the effect of time, temperature, and ethanol percentage, as well as to optimize the three extraction methods. The highest phenolic content (81 mg GAE/g DM) and antioxidant activity (76% DPPH inhibition) were recorded with the Ired-Irrad ® extract obtained under the optimal conditions: 55 °C, 127 min, 48% ( v / v ) ethanol. Biological activities (antioxidant, antibacterial and antibiofilm) of the three extracts were assessed. All C . longiflorus stems extracts showed limited antibacterial effects regardless of the extraction method (MIC = 50 mg/mL), whereas Ired-Irrad ® extract exhibited the highest biofilm eradication and prevention capacities (93% against Escherichia coli and 97% against Staphylococcus epidermidis , respectively). This bioactivity is likely related to abundant caffeoylquinic acid and quercetin rutinoside, as identified by RP-UHPLC-PDA-MS analysis. The results obtained further promote the effectiveness of Ired-Irrad ® as a highly flexible and cost-efficient extraction technique.

Violacein and deoxyviolacein are bis-indole pigments synthesized by a number of microorganisms. The present study describes the biosynthesis of a mixture of violacein and deoxyviolacein using a genetically modified Y. lipolytica strain as a production chassis, the subsequent extraction of the intracellular pigments, and ultimately their purification using column chromatography. The results show that the optimal separation between the pigments occurs using an ethyl acetate/cyclohexane mixture with different ratios, first 65:35 until both pigments were clearly visible and distinguishable, then 40:60 to create a noticeable separation between them and recover the deoxyviolacein, and finally 80:20, which allows the recovery of the violacein. The purified pigments were then analyzed by thin-layer chromatography and nuclear magnetic resonance.

Molecular imprinting is an efficient strategy to make the detection of compounds more specific and more selective. This targeted analytical strategy using molecularly imprinted polymer (MIP) synthesis needs to obtain the optimized conditions. A selective molecularly imprinted polymer was prepared for caffeic acid (CA) detection after varying the following synthesis parameters: functional monomer type (N-phenylacrylamide, N-PAA or methacrylic acid, MAA), solvent type (acetonitrile/methanol or acetonitrile/toluene), and the polymerization method (UV or thermal initiation). The optimal polymer was obtained using MAA as a functional monomer, acetonitrile/methanol as solvent, and UV polymerization. Morphological characterizations were done for the optimal CA-MIP using mid-infrared spectroscopy, scanning electron microscopy, and nitrogen adsorption. The optimal polymer showed good specificity and selectivity in the presence of interferents (antioxidants having a chemical structure close to CA) in a hydroalcoholic solution. The electrochemical detection of CA was performed by cyclic voltammetry (CV) after the interaction between CA and the optimal MIP in a wine sample. The linear range of the developed method was between 0 and 1.11 mM, the limit of detection (LOD) was 0.13 mM, and the limit of quantification (LOQ) was 0.32 mM. HPLC-UV was used to validate the newly developed method. Recovery values were between 104% and 111%.

Background: Aflatoxin B 1 and ochratoxin A are mycotoxins produced by filamentous fungi that attack crops on field and storage. Both mycotoxins present a risk on public health since aflatoxin B 1 is a hepatotoxic and hepatocarcinogenic agent while ochratoxin A can be nephrotoxic. Those mycotoxins can be found in several food items including spices, herbs, and nuts., Objectives: In Lebanon, few studies address aflatoxin B 1 and ochratoxin A contamination in spices, herbs, and nuts. So, the aim of this study is to investigate the concentrations of those two mycotoxins particularly in spices and herbs and the concentration of aflatoxin B 1 in nuts, and to determine the dietary exposure of the Lebanese population and their possible attribution to liver cancer and renal damage., Methods: In this work, a total of 198 samples of spices, herbs, and nuts were collected from different sites. Aflatoxin B 1 and ochratoxin A were quantified using immune-affinity columns. A food frequency questionnaire was used to quantify the consumption of spices, herbs, and nuts in Lebanon. Exposure to aflatoxin B 1 and ochratoxin A was calculated accordingly and liver and kidney cancer risks were evaluated., Results: Aflatoxin B 1 was respectively found in 100, 20.4, and 98.6% of the spices, herbs, and nuts samples, while ochratoxin A was found in 100 and 44.4% of spices and herbs, respectively. Aflatoxin B 1 was found at mean concentration of 0.97, 0.27, and 0.40 μg/kg in spices, herbs, and nuts, respectively while ochratoxin A was found at mean concentrations of 38.8 and 1.81 μg/kg in spices and herbs, respectively. Aflatoxin B 1 occurrence was shown to be associated in this study with 0.017 additional cancer cases per 100,000 persons per year, and ochratoxin A weekly exposure was shown to be 5.04 ng/kg bw less than the Provisional Tolerable Weekly Intake of 100 ng/kg bw which indicates low risk of renal damage from spices and herbs consumption., Conclusion: The consumption of spices, herbs, and nuts in Lebanon could lead to an increase in health risks associated with aflatoxin B 1 and ochratoxin A, specifically spices. The reported occurrence may be directly related to poor storage conditions., Competing Interests: The authors declare that the research was conducted in the absence of any commercial or financial relationships that could be construed as a potential conflict of interest., (Copyright © 2023 Daou, Hoteit, Bookari, Joubrane, Khabbaz, Ismail, Maroun and Khoury.)

Plant extracts may represent an ecofriendly alternative to chemical fungicides to limit aflatoxin B1 (AFB1) contamination of foods and feeds. Mate ( Ilex paraguariensis ), rosemary ( Romarinus officinalis ) and green tea ( Camellia sinensis ) are well known for their beneficial properties, which are mainly related to their richness in bioactive phenolic compounds. AFB1 production is inhibited, with varying efficiency, by acetone/water extracts from these three plants. At 0.45 µg dry matter (DM)/mL of culture medium, mate and green tea extracts were able to completely inhibit AFB1 production in Aspergillus flavus, and rosemary extract completely blocked AFB1 biosynthesis at 3.6 µg DM/mL of culture medium. The anti-AFB1 capacity of the extracts correlated strongly with their phenolic content, but, surprisingly, no such correlation was evident with their antioxidative ability, which is consistent with the ineffectiveness of these extracts against fungal catalase activity. Anti-AFB1 activity correlated more strongly with the radical scavenging capacity of the extracts. This is consistent with the modulation of SOD induced by mate and green tea in Aspergillus flavus . Finally, rutin, a phenolic compound present in the three plants tested in this work, was shown to inhibit AFB1 synthesis and may be responsible for the anti-mycotoxin effect reported herein.

The intensification of total phenolic compound (TPC) extraction from blood orange peels was optimized using a novel green infrared-assisted extraction technique (IRAE, Ired-Irrad ® ) and compared to the conventional extraction using a water bath (WB). Response surface methodology (RSM) allowed for the optimization of ethanol concentration (E), time (t), and temperature (T) in terms of extracted TPC and their antiradical activity, for both WB extraction and IRAE. Using WB extraction, the multiple response optimums as obtained after 4 h at 73 °C and using 79% ethanol/water were 1.67 g GAE/100 g for TPC and 59% as DPPH inhibition percentage. IRAE increased the extraction of TPC by 18% using 52% ethanol/water after less than 1 h at 79 °C. This novel technology has the advantage of being easily scalable for industrial usage. HPLC analysis showed that IRAE enhanced the recovery of gallic acid, resveratrol, quercetin, caffeic acid, and hesperidin. IR extracts exhibited high bioactivity by inhibiting the production of Aflatoxin B1 by 98.9%.

Grape seeds are the wineries' main by-products, and their disposal causes ecological and environmental problems. In this study seeds from the pomace waste of autochthonous grape varieties from Lebanon, Obeidi (white variety) and Asswad Karech (red variety) were used for a multi-step biomass fractionation. For the first step, a lipid extraction was performed, and the obtained yield was 12.33% ( w / w ) for Obeidi and 13.04% ( w / w ) for Asswad Karech. For the second step, polyphenols' recovery from the defatted seeds was carried out, resulting in 12.0% ( w / w ) for Obeidi and 6.6% ( w / w ) for Asswad Karech, with Obeidi's extract having the highest total phenolic content (333.1 ± 1.6 mg GAE/g dry matter) and antioxidant activity (662.17 ± 0.01 µg/mL of Trolox equivalent). In the third step, the defatted and dephenolized seeds were subsequently extracted under alkaline conditions and the proteins were isoelectric precipitated. The recovered protein extract was 3.90% ( w / w ) for Obeidi and 4.11% ( w / w ) for Asswad Karech seeds, with Asswad Karech's extract having the highest protein content (64 ± 0.2 mg protein/g dry matter). The remaining exhausted residue can be valorized in cosmetic scrubs formulations as a replacement for plastic microbeads. The designed zero-waste approach multi-step biomass fractionation has the potential to improve the valorization of the side products (grape seeds) of these two Lebanese autochthonous grape varieties.

Caffeic acid (CA) is an efficient antioxidant found in wine and in plants and can be extracted from the by-products of the food industry. A molecularly imprinted polymer specific to caffeic acid (CA-MIP) was prepared by radical polymerization using N -phenylacrylamide as the functional monomer, ethylene glycol dimethacrylate as the cross-linker, and azobisisobutyronitrile as the initiator, in the presence of CA as the template molecule. The rebinding activities between the polymers and CA were promoted by an indirect method and characterized by cyclic voltammetry (CV) using a screen-printed carbon electrode (SPCE). It is a fast method, which only requires simple and portable instrumentation. The polymer showed a high selectivity toward CA and a good repeatability. CA-MIP was then applied in wine samples spiked with CA, and the results were compared to those obtained by a chromatographic method. With a limit of detection of 0.06 mM in wine, the recovery values confirmed that the method is suitable for further applications.

(1) Background: Eryngium creticum is a plant medicinally valued, and used in pharmacopeia to treat various diseases. No previous studies have been reported on E. creticum leaf extracts using an IR-assisted technique; thus, this study aimed to intensify polyphenol extraction using Ired-Irrad ® , comparing it to the conventional water bath (WB) method. (2) Methods: Optimization of polyphenol extraction from E. creticum leaves was conducted using Response Surface Methodology. Ired-Irrad ® was used and compared to the WB method. The biological activities (antiradical, antioxidant, antibacterial, and antibiofilm) of both extracts were assessed. UHPLC analysis was performed to analyze the phytochemical profile of both extracts. (3) Results: Under optimal conditions, IR improved the polyphenol extraction yield by 1.7 times, while lowering ethanol consumption by 1.5 times. Regarding the antibacterial activity, both WB and IR E. creticum leaf extracts exhibited the highest antibacterial activity against Staphylococcus epidermidis . The maximum biofilm prevention capacity was also noticed against S. epidermidis . UHPLC-MS analysis quantified two major phenolic compounds in both extracts: rutin and sinapic acid. (4) Conclusions: Ired-Irrad ® technology proved to be an effective technique in intensifying polyphenol recovery, while preserving their quantity and quality.

An ecofriendly extraction technology using infrared (IR) irradiation Ired-Irrad ® was applied to purple corn cobs to enhance polyphenol recovery for the first time. The IR extraction efficiency was compared to that of the water bath (WB) method. Response surface methodology (RSM) using a central composite design was conducted to determine the effect of the experimental conditions (extraction time and treatment temperature) and their interactions on the total polyphenol and anthocyanin yields. Optimal extraction of total phenolic compounds (37 mg GAE/g DM) and total monomeric anthocyanins (14 mg C3G/g DM) were obtained at 63 °C for 77 min using IR as an extraction technique and water as a solvent. HPLC revealed that the recovery of peonidin 3-O-glucoside and cyanidin 3-O-glucoside was enhanced by 26% and 34%, respectively, when using IR. Finally, purple corn cobs' spray-dried extract was proven to be an important natural colorant of pickled turnip. It offers great potential for use as a healthy alternative to the carcinogenic rhodamine B synthetic dye, which was banned.

Grape seeds are agro-industrial by-products, which if improperly managed, may be responsible for socioeconomic and environmental problems. Nevertheless, it is possible to effectively valorize them by means of extraction of the bioactive compounds, especially the antioxidant phenolic molecules, using a safe, green, and environmentally-friendly extractive medium (i.e., hydro-glyceric solution). In the present study, the extraction was performed using seeds from two Lebanese varieties, Obeidi and Asswad Karech, and three international varieties, Marselan, Syrah, and Cabernet Franc. The type and amount of phenolic compounds were identified by High-Performance Liquid Chromatography (HPLC). Marselan was the extract richer in catechins (132.99 ± 9.81 μg/g of dried matter), and it also contained a higher amount of phenolic compounds (49.08 ± 0.03 mg of gallic acid equivalent/g of dry matter and 10.02 ± 0.24 mg of proanthocyanidin content/g of dry matter). The antioxidant capacity of the extracts was assessed using three different colorimetric assays including 2,2-DiPhenyl-1-PicrylHydrazyl (DPPH), CUPRIC ion Reducing Antioxidant Capacity (CUPRAC), and Ferric Reducing Antioxidant Power (FRAP). As expected, Marselan exhibited the highest antioxidant activity; as well, the total phenolic and proanthocyanidin content were the highest. The stability of the Marselan extract incorporated into a commercial cream, was performed at three different temperatures (4, 25, and 50 °C), and four different concentrations (5, 4, 3, 2%), over a period of 4 months, using different methods such as centrifugation, Heat-Shock Cycles, pH, and viscosity. All Marselan hydro-glyceric extract formulations were proven to be stable over the entire 4 months, where the highest stability was achieved at 4 °C and the least at 50 °C. This study supports the suitability of the incorporation of phenolic extracts into commercial creams to enrich the cosmetic industry with effective, natural, and safe skincare products.

Wheat, alfalfa, and radish sprouts are well-renowned for their high nutritional content. However, their optimal imbibition and germination durations are rarely considered in the literature. In this study, reduced imbibition times of 3 h, 10 h, and 4 h were demonstrated for the wheat, alfalfa, and radish seeds, respectively. The evolution of their crude fat, proteins, polyphenols, antioxidant activity, and vitamins were investigated over 7 days of germination. The crude fat and protein loads of these sprouts slightly varied during germination, whereas the phenolic compounds and antioxidant activity maxed out at day 7, 5, and 6 for the wheat, alfalfa, and radish sprouts, respectively, with significant levels of catechin. The vitamins highly increased, showing noteworthy yet different peaks of growth depending on the seed and the vitamin analyzed. Interestingly, alfalfa and radish sprouts, taken at their optimal germination day, would decidedly contribute to meet our Recommended Daily Allowances (RDAs) of vitamins E, A, and B6. Overall, for a greater nutritional content and a potential use of these sprouts as nutraceutical ingredients, our results suggested to leave the wheat, alfalfa, and radish seeds to germinate only over 7, 4, and 6 days, respectively, after which their nutritional quality tended to decrease.

Due to its pleasant rosy scent, the aromatic alcohol 2-phenylethanol (2-PE) has a huge market demand. Since this valuable compound is used in food, cosmetics and pharmaceuticals, consumers and safety regulations tend to prefer natural methods for its production rather than the synthetic ones. Natural 2-PE can be either produced through the extraction of essential oils from various flowers, including roses, hyacinths and jasmine, or through biotechnological routes. In fact, the rarity of natural 2-PE in flowers has led to the inability to satisfy the large market demand and to a high selling price. Hence, there is a need to develop a more efficient, economic, and environmentally friendly biotechnological approach as an alternative to the conventional industrial one. The most promising method is through microbial fermentation, particularly using yeasts. Numerous yeasts have the ability to produce 2-PE using l-Phe as precursor. Some agro-industrial waste and by-products have the particularity of a high nutritional value, making them suitable media for microbial growth, including the production of 2-PE through yeast fermentation. This review summarizes the biotechnological production of 2-PE through the fermentation of different yeasts on synthetic media and on various agro-industrial waste and by-products.

The influence of ultrasound treatment (US) on cellular damage of olive leaf tissue was studied. Mechanical damage and thermal effect of US were characterized. The level of tissue damage was defined by the diffusivity disintegration index Z D based on the diffusivity of solutes extracted from olive leaves differently treated. The Arrhenius form using the temperature dependences of the thermal treatment time within the temperature interval 20-90 °C was observed for the thermal process. The corresponding activation energy ΔUT was estimated as 57 kJ/mol. The temperature dependences of electrical conductivity were measured for extracts of intact and maximally treated olive leaves. Then the diffusivity disintegration index Z D and total phenolic compounds recovery for three studied US powers were calculated (100, 200, and 400 W). The results evidenced that the mechanically stimulated damage in olive leaf tissue can occur even at a low US power of 100 W if treatment time is long enough (t = 3.5 h). The US treatment noticeably accelerated the diffusion process mechanically in addition to its thermal effect. Trials in aqueous solution revealed the dependence of polyphenols extraction on damage level with respect to the US power applied., (Copyright © 2021 The Authors. Published by Elsevier B.V. All rights reserved.)

Polyphenols have attracted huge interest among researchers of various disciplines because of their numerous biological activities, such as antioxidative, antiinflammatory, antiapoptotic, cancer chemopreventive, anticarcinogenic, and antimicrobial properties, and their promising applications in many fields, mainly in the medical, cosmetics, dietary supplement and food industries. In this review, the latest scientific findings in the research on polyphenols interaction with the microbiome and mitochondria, their metabolism and health beneficial effects, their involvement in cognitive diseases and obesity development, as well as some innovations in their analysis, extraction methods, development of cosmetic formulations and functional food are summarized based on the papers presented at the 13th World Congress on Polyphenol Applications. Future implications of polyphenols in disease prevention and their strategic use as prophylactic measures are specifically addressed. Polyphenols may play a key role in our tomorrow´s food and nutrition to prevent many diseases., (© 2021 The Authors. Molecular Nutrition & Food Research published by Wiley-VCH GmbH.)

AFB 1 and OTA are produced in food products due to climatic conditions like temperature and humidity. In Lebanon, few studies address AFB 1 and OTA contamination in wheat and wheat products. In this study, a total of 312 samples of wheat and wheat products were collected from different sites, including port, silos, mills, and supermarkets were analysed. Wheat and wheat products consumption in Lebanon was quantified using a food frequency questionnaire. Exposure to AFB 1 and OTA was calculated and liver and kidney cancer risk were evaluated. Results showed that AFB 1 and OTA were, respectively, found in 65.7% and 100% of the samples, with 0.6% and 17.6% exceeding the maximum limit set by the European Commission. AFB 1 was shown to be associated with 0.076 additional cancer cases per 100,000 persons per year and OTA weekly exposure was shown to be 53.2 ng/kg bw, which is less than the Provisional Tolerable Weekly Intake of 100 ng/kg bw.

Aflatoxin B1 is a carcinogenic mycotoxin that frequently contaminates crops worldwide. Current research indicates that the use of natural extracts to combat mycotoxin contamination may represent an eco-friendly, sustainable strategy to ensure food safety. Although Cannabis sativa L. has long been known for its psychoactive cannabinoids, it is also rich in many other bioactive molecules. This study examines extracts from various organs of Cannabis sativa L. to determine their ability to limit aflatoxin production and growth of Aspergillus flavus. The results indicate that flower extract is most effective for limiting the synthesis of aflatoxin B1, leading to an almost-complete inhibition of toxin production at a concentration of 0.225 mg dry matter per gram of culture medium. Since flower extract is rich in phenolic compounds, its total antioxidant ability and radical-scavenging capacity are determined. Compared with other anti-aflatoxigenic extracts, the anti-oxidative potential of Cannabis sativa L. flower extract appears moderate, suggesting that its anti-mycotoxin effect may be related to other bioactive compounds., (© 2021. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Following our previous work ( Chem. Sci. 2021, 12, 4889-4907), we study the structural dynamics of the SARS-CoV-2 Main Protease dimerization interface (apo dimer) by means of microsecond adaptive sampling molecular dynamics simulations (50 μs) using the AMOEBA polarizable force field (PFF). This interface is structured by a complex H-bond network that is stable only at physiological pH. Structural correlations analysis between its residues and the catalytic site confirms the presence of a buried allosteric site. However, noticeable differences in allosteric connectivity are observed between PFFs and non-PFFs. Interfacial polarizable water molecules are shown to appear at the heart of this discrepancy because they are connected to the global interface H-bond network and able to adapt their dipole moment (and dynamics) to their diverse local physicochemical microenvironments. The water-interface many-body interactions appear to drive the interface volume fluctuations and to therefore mediate the allosteric interactions with the catalytic cavity.

Impact of the "Intensification of Vaporization by Decompression to the Vacuum" (IVDV) on extraction of polyphenols from olive leaves was investigated. Using Response Surface Methodology, the effect of three variables were studied: initial water content of leaves, processing time and steam pressure on total phenolic content (TPC). Extractions of TPC from leaves were achieved either using 100% water as a solvent (w 100 ), or 50% (v/v) aqueous ethanol (w 50 ). Following IVDV pretreatment, TPC yields were enhanced with both solvents by approximately 3 times compared to the negative controls. Furthermore, oleuropein and hydroxytyrosol were intensified by up to 600% and 238% respectively. Antioxidant-antiradical assays revealed higher activities, up to 3.5 times, in extracts from IVDV-treated leaves. Calculation of the extraction indices Zp, reflecting cellular damage, confirmed the beneficial effect of IVDV on the extraction yield. Finally, Scanning Electron Microscopy (SEM) permitted the morphological observation of IVDV-treated as compared to untreated leaves., (Copyright © 2020 Elsevier Ltd. All rights reserved.)

This review aims to pin out the importance of developing a technique for rapid detection of antioxidants, based on molecular imprinting techniques. It covers three major areas that have made great progress over the years in the field of research, namely: antioxidants characterization, molecular imprinting and electrochemistry, alone or combined. It also reveals the importance of bringing these three areas together for a good evaluation of antioxidants in a simple or complex medium, based on selectivity and specificity. Although numerous studies have associated antioxidants with molecular imprinting, or antioxidants with electrochemistry, but even electrochemistry with molecular imprinting to valorize different compounds, the growing prominence of antioxidants in the food, medical, and paramedical sectors deserves to combine the three areas, which may lead to innovative industrial applications with satisfactory results for both manufacturers and consumers.

An extract of Hypericum scruglii, an endangered endemic plant of Sardinia (Italy), was prepared and characterized. It was loaded in special phospholipid vesicles, glycerosomes, which were modified by adding maltodextrin (glucidex) and a polymer (gelatin or hyaluronan). The corresponding liposomes were also prepared and used as reference. The vesicles disclosed suitable physicochemical features for skin delivery. Indeed, their mean diameter ranged from 120 to 160 nm, they were homogeneously dispersed (polydispersity index ≤ 0.30), and their zeta potential was highly negative (~-45 mV). The vesicle dispersions maintained unchanged characteristics during 60 days of storage, were highly biocompatible, and were able to protect keratinocytes against damages due to oxidative stress induced by treating them with hydrogen peroxide. Vesicles were also capable of promoting cell proliferation and migration in vitro by means of a scratch wound assay. The results confirmed the fruitful delivery of the extract of H. scruglii in glycerosomes modified with glucidex and gelatin and their promising ability for skin protection and treatment.

Pomace seed extract loaded vesicles were prepared as promising technological and green solution to exploit agri-food wastes and by-products, and develop high value-added products for human health. An antioxidant extract rich in bioactive compounds (epicatechins, catechin, gallic acid, quercetin and procynidins) was obtained from the seeds isolated from the pomace of Cannonau red grape cultivar. The extract was incorporated into phospholipid vesicles ad hoc formulated for intestinal delivery, by combining them, for the first time, whit a maltodextrin (Glucidex). Glucidex-transfersomes, glucidex-hyalurosomes and glucidex-hyalutransferomes were prepared, characterized and tested. Glucidex-liposomes were used as reference. All vesicles were small in size (~ 150 nm), homogeneously dispersed and negatively charged. Glucidex-transfersomes and especially glucidex-hyalutransfersomes disclosed an unexpected resistance to acidic pH and high ionic strength, as they maintained their physico-chemical properties (size and size distribution) after dilution at pH 1.2 simulating the harsh gastric conditions. Vesicles were highly biocompatible and able to counteract the oxidative damages induced in Caco-2 cells by using hydrogen peroxide. Moreover, they promoted the formation of Lactobacillus reuteri biofilm acting as prebiotic formulation. Overall results suggest the potential of glucidex-hyalutransfersomes as food supplements for the treatment of intestinal disorders.

Fermented apple beverages are produced all over the world with diverse characteristics associated with each country. Despite the diversifications, cider producers are confronted with similar issues and risks. The nature of the raw material, also known as the fermentation medium, plays a key role in fermentation. A well-defined composition of apples is, therefore, required to produce cider with good quality. In addition, ferment and its metabolism are important factors in the fermentation process. The producers of cider and other alcoholic beverages are looking in general for novel yeast strains or for the use of native strains to produce "authentic" and diversified beverages that are distinct from each other, and that attract more and more consumers. Research articles on cider production are infrequent compared to wine production, especially on the impact of the chemical composition and microbial diversity of apples on fermentation. Even though the processing of fermented beverages is close in terms of microbial interactions and production, the study of the specific properties of apples and the production challenges of cider production is advantageous and meaningful for cider producers. This review summarizes the current knowledge on apple composition and the impact of the must composition on fermentation and yeast growth. In addition, the microbial diversity of cider, activities, and its influence on fermentation are reviewed.

The HIV-1 integrase (IN) is a major target for the design of novel anti-HIV inhibitors. Among these, three inhibitors which embody a halobenzene ring derivative (HR) in their structures are presently used in clinics. High-resolution X-ray crystallography of the complexes of the IN-viral DNA transient complex bound to each of the three inhibitors showed in all cases the HR ring to interact within a confined zone of the viral DNA, limited to the highly conserved 5'CpA 3'/5'TpG 3' step. The extension of its extracyclic CX bond is electron-depleted, owing to the existence of the "sigma-hole." It interacts favorably with the electron-rich rings of base G 4 . We have sought to increase the affinity of HR derivatives for the G 4 /C 16 base pair. We thus designed thirteen novel derivatives and computed their Quantum Chemistry (QC) intermolecular interaction energies (ΔE) with this base-pair. Most compounds had ΔE values significantly more favorable than those of the HR of the most potent halobenzene drug presently used in clinics, Dolutegravir. This should enable the improvement in a modular piece-wise fashion, the affinities of halogenated inhibitors for viral DNA (vDNA). In view of large scale polarizable molecular dynamics simulations on the entirety of the IN-vDNA-inhibitor complexes, validations of the SIBFA polarizable method are also reported, in which the evolution of each ΔE(SIBFA) contribution is compared to its QC counterpart along this series of derivatives., (Copyright © 2020 El Darazi, El Khoury, El Hage, Maroun, Hobaika, Piquemal and Gresh.)

The present work studied the fermentative potential and carbon metabolism of an indigenous yeast isolated from Lebanese apples for cider production. The indigenous yeast strain was isolated from a spontaneous fermented juice of the Lebanese apple variety 'Ace spur'. The sequencing of the Internal Transcribed Spacer (ITS) domain of rRNA identified the isolated yeast strain as a member of the Hanseniaspora genus. These results suggest an intragenomic ITS sequence heterogeneity in the isolated yeast strain specifically in its ITS1 domain. The different investigations on the yeast carbon metabolism revealed that the isolated yeast is 'Crabtree positive' and can produce and accumulate ethanol from the first hours of fermentation. Thus, our findings highlight the possibility of using the isolated indigenous Hanseniaspora strain as a sole fermentative agent during cider production., (© FEMS 2020.)

The present work studies the impact of low-intensity ultrasound (US) on Hanseniaspora sp. yeast fermentations. The effect of pulse duration and growth phase on US application was first evaluated using a synthetic medium. The optimal conditions were then applied to apple juice US-assisted fermentation. An US treatment chamber was first designed to allow the recycling of the culture medium. The optimal US pulse duration on the yeast growth rate was of 0.5 s followed by 6 s rest period, and during 6 h of both Lag and Log phases. These US parameters led to a faster consumption of glucose in the medium during the fermentation, compared to the untreated culture. The impact of US was also depending on the growth phase, showing higher sensitivity of the yeast to US during the Lag phase rather than the Log phase. US-assisted fermentation of apple juice showed a significant increase in biomass growth and glucose consumption, along with a significant decrease in the ethanol yield. The fastest growth kinetic (by 52%), and the highest ethanol reduction (by 0.55% (v, v)) were obtained for the treatment during the first 12 h of fermentation, thereby, the stationary phase was reached faster, and the maximum biomass growth rate was 10 folds higher compared to the untreated culture. The results obtained in this study demonstrated the promising efficiency of US-assisted fermentation in stimulating the biomass growth and reducing the ethanol content in alcoholic beverages., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2019 Elsevier B.V. All rights reserved.)

Using polarizable (AMOEBA) and nonpolarizable (CHARMM) force fields, we compare the relative free energy stability of two extreme conformations of the HIV-1 nucleocapsid protein NCp7 that had been previously experimentally advocated to prevail in solution. Using accelerated sampling techniques, we show that they differ in stability by no more than 0.75-1.9 kcal/mol depending on the reference protein sequence. While the extended form appears to be the most probable structure, both forms should thus coexist in water explaining the differing NMR findings.

Hanseniaspora sp. yeast was stimulated using pulsed electric field (PEF) during the different fermentation phases. The impact of PEF parameters on the growth rate and substrate consumption was studied. The PEF intensities chosen for this study were mainly in the range of 72-285 V cm -1 . A PEF treatment chamber was designed for this study with a ratio of 1:50 between the volume of the fermenter and the volume of the chamber. It allows the recycling of the culture medium using a peristaltic pump, and the yeast treatment by PEF during the fermentation. The continuous circulation of the medium allows avoiding the increase of the temperature inside the fermenter, the cell aggregation, as well as the agitation and the scale-up issues that are associated with the PEF treatment of the entire volume in batch mode. The maximal yeast growth rate was obtained using an electric field strength of 285 V cm -1 applied during both Lag and early exponential phase, and Log phase. This observation was accompanied by a faster consumption of glucose in the medium during the fermentation. Besides, the sensitivity of Hanseniaspora sp. yeast to PEF treatment was more pronounced during the Lag and early exponential phase than the Log phase. The results obtained exposed the great benefit of stimulating Hanseniaspora sp. yeast using moderate PEF as it reduces the fermentation time along with increasing the biomass concentration., Competing Interests: Declaration of Competing Interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

The opportunistic pathogen, Pseudomonas aeruginosa , is a main cause of nosocomial infections in Lebanese hospitals. This pathogen is highly threatening due to its ability to develop multiresistance toward a large variety of antibiotics, including the carbapenem subgroup of β-lactams. In this study, we surveyed the enzymatic and nonenzymatic mechanisms of carbapenem resistance in several multidrug-resistant (MDR) strains of P. aeruginosa isolated from patients suffering from nosocomial urinary tract infections in a Lebanese hospital. The occurrence of β-lactamase-encoding genes notably GES, KPC, IMP, VIM, NDM, and OXA, which are characterized by a carbapenemase activity was checked by genomic analyses. Our results provide a first evidence of the occurrence of GES in clinical P. aeruginosa isolates resistant to carbapenems in Lebanon. More interestingly, we showed that almost 40% of the analyzed strains have acquired a dual-carbapenemase secretion of GES-6 and VIM-2 or IMP-15 , this being a rare phenomenon among this type of multidrug resistance. Moreover, LC-MS/MS analyses revealed a high prevalence of another enzymatic mechanism of resistance; this is the coexistence of AmpC and Pdc-13 as well as a number of virulence proteins, for instance pilin, lytic transglycosylase, ecotin, chitin-binding protein (Cbp), and TolB-dependent receptor. It is to be noted that a mutation of the oprD2 gene encoding a porin selective for carbapenems has been detected in almost 66% of our strains. All in all, our study reveals by the use of different methods, unusual simultaneous enzymatic ( GES , IMP , VIM , pdc13 , and AmpC ) and nonenzymatic mechanisms of resistance (reduction of OprD2 expression) for MDR Pseudomonas aeruginosa .

This study aims to evaluate the impact of a nonconventional pretreatment technique "infrareds free solvent" on the intensification of polyphenols extraction from orange peels. Orange peels were pretreated with infrared heating using a ceramic infrared transmitter from 5 to 25 min at 50 °C. After the addition of the solvent on the pretreated peels, ultrasound treatment was applied on the mixture using an ultrasound generator connected to a titanium ultrasound probe, from 5 to 30 min, at 50 °C. Results showed that the application of ultrasounds on untreated peels enhanced the extraction of polyphenols by 62.5% compared to the conventional solid-liquid extraction. Twenty minutes of infrared pretreatment improved the extraction of polyphenols by 47% with solid-liquid extraction, and 112% with ultrasounds after 30 min compared to solid-liquid extraction from untreated peels. Different combinations of infrared pretreatment and ultrasound assisted extraction were then applied on orange peels. The most advantageous combination in terms of energy consumption and polyphenols extraction has been found for a 20 min infrared pretreatment time and 5 min ultrasound assisted extraction of polyphenols. PRACTICAL APPLICATION: Orange peels are valuable sources of natural antioxidants such as polyphenols. Ultrasound-assisted extraction can improve the extraction of polyphenols compared to conventional solid-liquid extraction. To intensify the extraction process, infrared heating can be used as a simple, low cost, and energy saving method. The combined effect of "infrareds free solvent" and ultrasounds allowed the extraction of the highest yields of polyphenols with a high antiradical capacity and a low energy consumption in comparison to conventional extraction., (© 2020 Institute of Food Technologists®.)

Deep eutectic solvents (DES) and aqueous glycerol were proposed as green alternatives to conventional solvents for the extraction of polyphenols from grapefruit peels. In order to increase the extraction kinetics and yields of polyphenols, high voltage electrical discharges (HVED) were used as a pre-treatment technology (energy varied between 7.27 and 218 kJ/kg). Results showed that the HVED energy input can be reduced, when the subsequent solid-liquid extraction was performed in 20% (w/v) aqueous glycerol or in DES (lactic acid: glucose) instead of water. The addition of glycerol has reduced the energy of the pre-treatment by 6 times. The same diffusivity of polyphenols (4 × 10 -11  m 2 /s) was obtained in water from HVED pre-treated peels at 218 kJ/kg and in aqueous glycerol from pre-treated peels at 36 kJ/kg. The solubility of naringin, the main flavonoid compound of grapefruit peels in the solvents, was investigated through a theoretical modelling of its Hansen solubility parameters., (Copyright © 2019 Elsevier Ltd. All rights reserved.)

Optimization of infrared-assisted extraction was conducted using Response Surface Methodology (RSM) in order to intensify polyphenol recovery from olive leaves. The extraction efficiency using Ired-Irrad ® , a newly-patented infrared apparatus (IR), was compared to water bath (WB) conventional extraction. Under optimal conditions, as suggested by the model and confirmed experimentally, the total phenolic content yield was enhanced by more than 30% using IR as contrasted to WB, which even required 27% more ethanol consumption. High Performance Liquid Chromatography analyses quantified the two major phenolic compounds of the leaves: Oleuropein and hydroxytyrosol, which were both intensified by 18% and 21%, respectively. IR extracts increased the antiradical activity by 25% and the antioxidant capacity by 51% compared to WB extracts. On the other hand, extracts of olive leaves obtained by both techniques exhibited equal effects regarding the inhibition of 20 strains of Staphylococcus aureus, with a minimum inhibitory concentration (MIC) varying between 3.125 and 12.5 mg/mL. Similarly, both extracts inhibited Aflatoxin B1 (AFB1) secretion by Aspergillus flavus , with no growth inhibition of the fungus. Finally, optimization using RSM allowed us to suggest other IR operating conditions aiming at significantly reducing the consumption of energy and solvent, while maintaining similar quantity and quality of phenolic compounds as what is optimally obtained using WB., Competing Interests: The authors declare no conflict of interest.

With the onset of advanced age, cardiac-associated pathologies have increased in prevalence. The hallmarks of cardiac aging include cardiomyocyte senescence, fibroblast proliferation, inflammation, and hypertrophy. The imbalance between levels of reactive oxygen species (ROS) and antioxidant enzymes is greatly enhanced in aging cells, promoting cardiac remodeling. In this work, we studied the long-term impact of phenolic compounds (PC) on age-associated cardiac remodeling. Three-month-old Wistar rats were treated for 14 months till middle-age with either 2.5, 5, 10, or 20 mg kg -1  day -1 of PC. PC treatment showed a dose-dependent preservation of cardiac ejection fraction and fractional shortening as well as decreased hypertrophy reflected by left ventricular chamber diameter and posterior wall thickness as compared to untreated middle-aged control animals. Analyses of proteins from cardiac tissue showed that PC attenuated several hypertrophic pathways including calcineurin/nuclear factor of activated T cells (NFATc3), calcium/calmodulin-dependent kinase II (CAMKII), extracellular regulated kinase 1/2 (ERK1/2), and glycogen synthase kinase 3ß (GSK 3ß). PC-treated groups exhibited reduced plasma inflammatory and fibrotic markers and revealed as well ameliorated extracellular matrix remodeling and interstitial inflammation by a downregulated p38 pathway. Myocardia from PC-treated middle-aged rats presented less fibrosis with suppression of profibrotic transforming growth factor-ß1 (TGF-ß1) Smad pathway. Additionally, reduction of apoptosis and oxidative damage in the PC-treated groups was reflected by elevated antioxidant enzymes and reduced RNA/DNA damage markers. Our findings pinpoint that a daily consumption of phenolic compounds could preserve the heart from the detrimental effects of aging storm., (© 2018 The Authors. Aging Cell published by the Anatomical Society and John Wiley & Sons Ltd.)

The valorization of industrial food byproducts by means of environment-friendly extraction methods is becoming a major interest because of its environmental and economic values. In this study, the efficiency of many technologies, such as ultrasounds (US), microwaves (MW), and infrared (IR), was compared, in terms of polyphenol yield and bioactivity from apricot pomace. IR was the most effective method with the highest polyphenol (10 mg GAE/g DM), flavonoid (6 mg CE/g DM), and tannin (3.6 mg/L) yields. In terms of efficacy, IR was followed by MW, US, then solid-liquid (S/L) extraction. IR extract from apricot pomace exhibited the highest inhibitory activity against all the studied gram-positive strains ( Methicillin Resistant Staphylococcus aureus, Staphylococcus aureus, Methicillin-resistant Staphylococcus epidermidis, and Staphylococcus epidermidis ) and a one gram-negative strain ( Escherichia coli ). Moreover, IR extracts had by far the highest antiradical activity (AC) (40%) followed by MW (31%), US (28%), and then S/L (15%). High-performance liquid chromatography (HPLC) permitted the identification and quantification of rutin in all extracts; whereas catechin was detected in those of IR (3.1 μg/g DM), MW (2.1 μg/g DM), and US (1.5 μg/g DM). Epicatechin was exclusively found in IR extract (4 μg/g DM), suggesting the selectivity of IR towards this compound. Scanning electron microscopy (SEM) revealed that the IR technique induced the highest cellular and structural damage in apricot pomace, which could explain the effectiveness of this technology.

The high diversity of phenolic compounds (PC) found in food matrices makes it challenging to analyze their bioavailability and their impact on health and functional metabolism. It is well recognized that PC do modulate the composition of the gut microbiota (GM), however, the literature still lacks significant data concerning the link between the metabolic fate of the ingested compounds and their bioactivity, mainly when considering the secondary metabolites produced. In this study, we assessed the metabolic fate of PC for a period covering 14 months of daily intake to identify the metabolites that could be responsible for the effects of PC on the GM observed in our previous work. Urinary analysis of polyphenol metabolites was performed using a high resolution mass spectrometry LC-QTOF-MS method. Among the sixteen metabolites identified, 3-hydroxyphenylacetic acid and 2-(4-hydroxyphenyl) propionic acid were detected simultaneously and, therefore, correlated with the growth of Bifidobacterium in the rat GM. In addition, Daidzedin, detected only at 14 months post-treatment, mostly interfered with the growth inhibition of Clostridium (Cluster I). In conclusion, the impact of the long-term intake of PC on rat GM seems to be related to specific metabolites produced after ingestion of the parental compounds and this may also be due to their additional synergistic effects.

Orange peels are a biomass rich in carbohydrates and polyphenols and characterized by their low lignin content. This work focuses on finding the best combination between physical and biological treatments to enhance the extraction of fermentable sugars and polyphenols. High voltage electrical discharges (HVED) (0 to 900 kJ/kg) or enzymatic hydrolysis with Viscozyme® L (12 FBGU/g) were applied on fresh or defatted orange peels for the extraction of polyphenols and fermentable sugars. An HVED energy input of 222 kJ/kg was optimal for the extraction of reducing sugars (19 g/100 g DM) and polyphenols (0.7 g/100 g DM). However, enzymatic hydrolysis allowed a higher extraction of reducing sugars (50 g/100 g DM). HVED were then applied prior or simultaneously to enzymatic hydrolysis to maximize the extraction of biomolecules from orange peels. Thus, the results clearly showed that the HVED pretreatment of orange peels is efficient to enhance the accessibility of cellulosic biomass to enzymes. HVED (222 kJ/kg) prior to enzymatic hydrolysis (12 FBGU/g), was the most effective combination of these two processes to get an intensive extraction of biomolecules from orange peels., (Copyright © 2017. Published by Elsevier Ltd.)

Peach byproducts are often regarded as food waste despite their high content in health-promoting components. Amongst the latter, polyphenols are bioactive molecules with significant health benefits. The present study investigated an eco-friendly and cost-effective method using a GRAS food additive, β -cyclodextrin ( β -CD), for the recovery of polyphenols from peach pomace. β -CD assisted extraction of polyphenols was compared to that of conventional solvent (ethanol) extraction at the same concentrations (10 mg/mL, 20 mg/mL, 30 mg/mL, 40 mg/mL, and 50 mg/mL) in terms of quality (antiradical activity) and quantity. The extract obtained by 50 mg/mL β -CD assisted extraction showed the highest polyphenol (0.72 mg GAE/g DM) and flavonoid (0.35 mg catechin/g of DM) concentrations as maximal antiradical activity (6.82%) and a noted antibacterial activity. Our results showed the competitiveness of β -CD assisted extraction to recover a high quantity and quality of polyphenols from peach pomace suggesting β -CD as a green alternative method for phenolic extraction.

Introduction: Prunus armeniaca L. (P. armeniaca) is one of the medicinal plants with a high safety-profile., Objectives: The aim of this work was to make an infrared-assisted extraction (IR-AE) of P. armeniaca fruit (pomace) and kernel, and analyse them using reverse phase high-performance liquid chromatography (RP-HPLC) aided method., Methods: IR-AE is a novel-technique aimed at increasing the extraction-efficiency. The antidiabetic-potentials of the P. armeniaca pomace (AP) and the detoxified P. armeniaca kernel extract (DKAP) were monitored exploring their possible hypoglycemic-mechanisms. Acute (6 h), subchronic (8 days) and long-term (8 weeks) assessment of Diabetes mellitus (DM) using glucometers and glycated hemoglobin (HbA1c) methods were applied., Results: Serum-insulin levels, the inhibitory effects on alpha-glucosidase, serum-catalase (CAT) and lipid peroxidation (LPO) levels were also monitored. AP was shown to be rich in polyphenolics like trans-lutein (14.1%), trans-zeaxanthin (10.5%), trans-ß-cryptoxanthin (11.6%), 13, cis-ß-carotene (6.5%), trans 9, cis-ß-carotene (18.4%), and ß-carotene (21.5%). Prunus armeniaca kernel extract before detoxification (KAP) was found to be rich in amygdaline (16.1%), which caused a high mortality rate (50.1%), while after detoxification (amygdaline, 1.4%) a lower mortality rate (9.1%) was found. AP showed significant (p ≤ 0.05, n = 7/group) antidiabetic-activity more prominent than DKAP acutely, subchronically and on longer-terms. IR-AEs displayed more efficient acute and subchronic blood glucose level (BGL) reduction than a conventional extraction method, which might be attributed to IR-AE superiority in extraction of active ingredients. AP showed more-significant and dose-dependent increase in serum-insulin, CAT-levels and body-weights more prominent than those of DKAP. Alpha-glucosidase and LPO levels were inhibited with AP-groups more-significantly., Conclusion: In comparison to conventional-methods, IR-AE appeared to be an efficient and time-conserving novel extraction method. The antidiabetic-potentials of pomace and detoxified-kernels of P. armeniaca were probably mediated via the attenuation of glucose-provoked oxidative-stress, the inhibition of alpha-glucosidase and the marked insulin-secretagogue effect. Copyright © 2017 John Wiley & Sons, Ltd., (Copyright © 2017 John Wiley & Sons, Ltd.)

This work aims to study the impact of solvent mixture (between 0 and 50% ethanol/water mixture) and temperature (between 25°C and 75°C) levels on the solid-liquid extraction of phenolic compounds (quantity and bioactivity) from apricot pomace. Results show that the mean augmentation of 1% ethanol in the range [0-12%] enhances by three times the extraction of polyphenols compared to the same augmentation in the range [0-50%]. Similarly, the mean augmentation of 1°Celcius in the range [0-25°Celcius] enhances by two times the extraction of polyphenols compared to the same augmentation in the range [0-75°Celcius]. Moreover, 1% of ethanol exhibited a greater impact on the phenolic compound extraction than 1°Celsius. The response surface methodology showed that the optimal extraction condition was reached with 50% ethanol/water at 75°C giving a total phenolic content (TPC) of 9.8 mg GAE/g DM, a flavonoids content (FC) of 8.9 mg CE/g DM, a tannin content (TC) of 4.72 mg/L, and an antiradical activity (AA) of 44%. High-performance liquid chromatography (HPLC) analysis showed that polyphenols were influenced by the selectivity of the solvent as well as the properties of each phenolic compound. Apricot pomace extracts could therefore be used as natural bioactive molecules for many industrial applications.

The preservation of polyphenols in fruits by lyophilization has gained great interest in the recent decades. The present study aims to assess the impact of the pre-treatment extraction methods heat-assisted extraction (HAE) and infrared (IR) on lyophilized apricot pomace extracts. Then to test the conservation of polyphenols quantities as well as their bioactivities (antiradical and antibacterial) in lyophilized extract. An aqueous extract was obtained through either heat-assisted extraction or infrared pre-treatments then lyophilized to obtain a dried form. Results showed that the content of polyphenols, the antiradical and antibacterial activities in lyophilized extracts exhibited a slighter decrease in infrared sample compared to the heat-assisted extraction ones. The High-performance liquid chromatography (HPLC) analysis showed that lyophilized extracts IR and HAE preserved the same phenolic molecules (rutin, catechin and epicatechin) detected in liquid extracts (IR and HAE) with a smaller yield. Lyophilization can be used as a widely process in the food industry to conserve many bioactive molecules., Competing Interests: The authors declare no conflict of interest. We hereby certify that the work we are submitting is original and that all authors have contributed significantly and are in agreement with the manuscript.

The lignocellulosic structure of grape pomace requires the use of pretreatments facilitating microbial decomposition of the matter and enhancing methane production. In this study, the effects of various pretreatments (freezing, alkaline treatment using NaOH and NH 3 , acid treatment using HCl, ultrasounds and pulsed electric fields) were examined in batch mode. The highest methane production (0.178Nm 3 kg -1 of COD) was attained after alkaline treatment with 10% NaOH w/w dry basis, at 20°C and for 24h. This result is due to the degradation of more than 50% of lignin and about 22% of cellulose present in grape pomace. The coupling of this pretreatment with freezing at -20°C exhibited the highest methane production of 0.2194±0.0007Nm 3 kg -1 of COD. When applied to a larger scale continuous digester, this coupled pretreatment increased methane production by about 27%, compared to the untreated samples, promoting the green valorization of the biomass., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

To optimize the anaerobic digestion of grape pomace under mesophilic conditions, continuous digesters were operated at different hydraulic retention times (HRT) (30, 20, 15 and 10 days) equivalent to organic loading rates (OLR) of 2.5, 3.7, 5.7 and 7.3 kg COD m -3 d -1 , respectively. At HRTs of 30 and 20 days, steady state conditions were observed with methane yields of 0.984 ± 0.013 NL d -1 and 1.362 ± 0.018 NL d -1 , respectively. The HRT of 15 days was found critical because of acids accumulation through the experiments. When the OLR of 5.7 kg COD m -3 d -1 was reached, methane production was found to be instable. Finally, at HRT of 10 days, a failure of the system was observed due to the washing of the methanogenic microorganisms. Regarding the degradability of the lignocellulosic fractions, the maximum reduction yields for hemicellulose and cellulose were noted for HRTs of 30 and 20 days, while lignin was not degraded throughout the different experiments. For an optimization of the process, HRT of 20 days can therefore be recommended for productive use in large-scale applications., (Copyright © 2017 Elsevier Ltd. All rights reserved.)

A correct representation of the short-range contributions such as exchange-repulsion (E rep ) and charge-transfer (E ct ) is essential for the soundness of separable, anisotropic polarizable molecular mechanics potentials. Within the context of the SIBFA procedure, this is aimed at by explicit representations of lone pairs in their expressions. It is necessary to account for their anisotropic behaviors upon performing not only in-plane, but also out-of-plane, variations of a probe molecule or cation interacting with a target molecule or molecular fragment. Thus, E rep and E ct have to reproduce satisfactorily the corresponding anisotropies of their quantum chemical (QC) counterparts. A significant improvement of the out-of-plane dependencies was enabled when the sp 2 and sp localized lone-pairs are, even though to a limited extent, delocalized on both sides of the plane, above and below the atom bearer but at the closely similar angles as the in-plane lone pair. We report calibration and validation tests on a series of monoligated complexes of a probe Zn(II) cation with several biochemically relevant ligands. Validations are then performed on several polyligated Zn(II) complexes found in the recognition sites of Zn-metalloproteins. Such calibrations and validations are extended to representative monoligated and polyligated complexes of Mg(II) and Ca(II). It is emphasized that the calibration of all three cations was for each ΔE contribution done on a small training set bearing on a limited number of representative N, O, and S monoligated complexes. Owing to the separable nature of ΔE, a secure transferability is enabled to a diversity of polyligated complexes. For these the relative errors with respect to the target ΔE(QC) values are generally < 3%. Overall, the article proposes a full set of benchmarks that could be useful for force field developers. © 2017 Wiley Periodicals, Inc., (© 2017 Wiley Periodicals, Inc.)

Ochratoxin A (OTA) is one of the most important mycotoxins, and contaminates several agricultural products, particularly cereals, grapes, maize, barley, spices and coffee. The aim of this project was to reduce the levels of OTA by supplementing the artificially contaminated solutions with seven strains of actinobacteria (AT10, AT8, SN7, MS1, ML5, G10 and PT1) in order to evaluate their capacity for binding and metabolizing the OTA, as well as their ability to reduce the expression of the genes responsible for its production in A. carbonarius . In the first part of this study, we evaluated the capacity of Streptomyces strains for binding OTA on their surfaces after 0, 30 and 60 min of incubation with PBS solution supplemented with OTA. In the second part, we tested the ability of these strains, as well as their supernatants, to detoxify the ISP2 medium. Finally, we studied the effect of the Streptomyces cocultured with Aspergillus carbonarius on the expression of OTA biosynthesis genes. Results showed that, among the strains co-cultured with A. carbonarius , the strain G10 was able to reduce the expression of acpks , acOTApks , acOTAnrps and vea genes, thus reducing OTA from solid PDA medium to 13.50% of reduction. This strain was remarkably able to detoxify and bind OTA up to 47.07%. Strain AT8 was stronger in detoxifying OTA (52.61%), but had no significant effect on the studied gene expression.

This study is intended to prevent ochratoxin A (OTA) production by Aspergillus carbonarius S402 using essential oils (EOs) and total phenolic compounds extracted from plants and herbs. The EOs used in this study are the following: bay leaves, cumin, fenugreek, melissa, mint, and sage. As for the phenolic compounds, they were extracted from bay leaves, cumin, fenugreek, melissa, mint, sage, anise, chamomile, fennel, rosemary, and thyme. The experiments were conducted on Synthetic Grape Medium (SGM) medium at 28 °C for 4 days. OTA was extracted from the medium with methanol and quantified using HPLC (High Performance Liquid Chromatography). Results showed that EOs had a greater impact than the total phenolic extracts on the OTA production. Reduction levels ranged between 25% (sage) and 80% (melissa) for the EOs at 5 µL mL -1 , and 13% (thyme) and 69% (mint) for the phenolic extracts. Although they did not affect the growth of A. carbonarius , total phenolic extracts and EOs were capable of partially reducing OTA production. Reduction levels depended on the nature of the plants and the concentration of the EOs. Reducing OTA with natural extracts could be a solution to prevent OTA production without altering the fungal growth, thus preserving the natural microbial balance., Competing Interests: The authors declare no conflict of interest.

In the context of the SIBFA polarizable molecular mechanics/dynamics (PMM/PMD) procedure, we report the calibration and a series of validation tests for the 1,2,4-triazole-3-thione (TZT) heterocycle. TZT acts as the chelating group of inhibitors of dizinc metallo-β-lactamases (MBL), an emerging class of Zn-dependent bacterial enzymes, which by cleaving the β-lactam bond of most β-lactam antibiotics are responsible for the acquired resistance of bacteria to these drugs. Such a study is indispensable prior to performing PMD simulations of complexes of TZT-based inhibitors with MBL's, on account of the anchoring role of TZT in the dizinc MBL recognition site. Calibration was done by comparisons to energy decomposition analyses (EDA) of high-level ab initio QC computations of the TZT complexes with two probes: Zn(II), representative of "soft" dications, and water, representative of dipolar molecules. We performed distance variations of the approach of each probe to each of the two TZT atoms involved in Zn ligation, the S atom and the N atom ortho to it, so that each SIBFA contribution matches its QC counterpart. Validations were obtained by performing in- and out-of-plane angular variations of Zn(II) binding in monoligated Zn(II)-TZT complexes. The most demanding part of this study was then addressed. How well does ΔE(SIBFA) and its individual contributions compare to their QC counterparts in the dizinc binding site of one MBL, L1, whose structure is known from high-resolution X-ray crystallography? Six distinct complexes were considered, namely each separate monozinc site, and the dizinc site, whether ligated or unligated by TZT. Despite the large magnitude of the interaction energies, in all six complexes ΔE(SIBFA) can match ΔE(QC) with relative errors <2% and the proper balance of individual energy contributions. The computations were extended to the dizinc site of another MBL, VIM-2, and its complexes with two other TZT analogues. ΔE(SIBFA) faithfully reproduced ΔE(QC) in terms of magnitude, ranking of the three ligands, and trends of the separate energy contributions. A preliminary extension to correlated calculations is finally presented. All these validations should enable a secure design of a diversity of TZT-containing MBL inhibitors: a structurally and energetically correct anchoring of TZT should enable all other inhibitor groups to in turn optimize their interactions with the other target MBL residues.