Deep Eutectic Solvent-Based Aqueous Two-Phase Systems and Their Application in Partitioning of Phenol Compounds.

This work studies the partition of phenolic compounds, namely caffeic acid, syringic acid, vanillic acid, ferulic acid, and vanillin, in aqueous two-phase systems (ATPSs) formed by acetonitrile and deep eutectic solvents (DESs) based on choline chloride ([Ch]Cl) and carbohydrates (sucrose, d-glucose, d-mannose, arabinose, and d-xylose). The binodal curves built at 25 °C and 0.1 MPa using DES were compared with ATPS composed of [Ch]Cl and the same carbohydrates.

Extending the computational and experimental analysis of lipase active site selectivity.

Molecular docking is an important computational analysis widely used to predict the interaction of enzymes with several starting materials for developing new valuable products from several starting materials, including oils and fats. In the present study, molecular docking was used as an efficient in silico screening tool to select biocatalysts with the highest catalytic performance in butyl esters production in a solvent-free system, an eco-friendly approach, via direct esterification of free fatty acids from Licuri oil with butanol. For such purpose, three commercial lipase preparations were used to perform molecular docking studies such as Burkholderia cepacia (BCL), Porcine pancreatic (PPL), and Candida rugosa (CRL).

Experimental and Computational Analysis of Synthesis Conditions of Hybrid Nanoflowers for Lipase Immobilization.

This work presents a framework for evaluating hybrid nanoflowers using lipase. It was expanded on previous findings by testing lipase hybrid nanoflowers (hNF-lipase) formation over a wide range of pH values (5-9) and buffer concentrations (10-100 mM). The free enzyme activity was compared with that of hNF-lipase.

Development of a Protein-Rich By-Product by 2 Factorial Design: Characterization of Its Nutritional Value and Sensory Analysis.

The aim of this study was the development of a cereal bar based on bee pollen (BP), honey (H), and flour by-products (peel passion fruit flour-PPFF), generating an innovative product. BP is a protein-rich ingredient and can be used in the composition of cereal bars. PPFF is a by-product rich in fibers.

Evaluation of lipase access tunnels and analysis of substance transport in comparison with experimental data.

Lipases (E.C. 3.

Influence of seasonality on the physicochemical properties of Lam. Seed oil and their oleochemical potential.

The effect of abiotic factors, such as weather and climate can alter the properties of vegetable oils. In this work, the effects of the refining process and pre-drying of Moringa oleifera Lam. seeds collected in the dry and rainy seasons (seasonality) were evaluated on the characteristics of the extracted oils.

Evaluation of Enzymatic Tunnels in the Biotransformation of α-Tocopherol Esters.

α-Tocopherol is a molecule obtained primarily from plant sources that are important for the pharmaceutical and cosmetics industry. However, this component has some limitations such as sensitivity to oxygen, presence of light, and high temperatures. For this molecule to become more widely used, it is important to carry out a structural modification so that there is better stability and thus it can carry out its activities.

Rutin-Functionalized Multi-Walled Carbon Nanotubes: Molecular Docking, Physicochemistry and Cytotoxicity in Fibroblasts.

Multi-Walled Carbon Nanotubes (MWCNT) have been functionalized with rutin through three steps (i. reaction step; ii. purification step; iii.

Computational and experimental analysis on the preferential selectivity of lipases for triglycerides in Licuri oil.

In the present study, we demonstrated the use of molecular docking as an efficient in silico screening tool for lipase-triglyceride interactions. Computational simulations using the crystal structures from Burkholderia cepacia lipase (BCL), Thermomyces lanuginosus lipase (TLL), and pancreatic porcine lipase (PPL) were performed to elucidate the catalytic behavior with the majority triglycerides present in Licuri oil, as follows: caprilyl-dilauryl-glycerol (CyLaLa), capryl-dilauryl-glycerol (CaLaLa), capryl-lauryl-myristoyl-glycerol (CaLaM), and dilauryl-myristoyl-glycerol (LaLaM). The computational simulation results showed that BCL has the potential to preferentially catalyze the major triglycerides present in Licuri oil, demonstrating that CyLaLa, (≈25.

Analysis of the occurrence of microplastics in beach sand on the Brazilian coast.

The occurrence of microplastics in coastal areas is a growing concern due to the increase in plastic waste pollution in recent decades. This study had as objective to evaluate the occurrence of microplastics in Brazilian beach sand, using a simple and fast methodology. In addition, possible microplastics were classified according to color, shape and chemical composition.

Development of an ethanolic two-phase system (ETPS) based on polypropylene glycol 2000 + ethylene glycol + ethanol for separation of hydrophobic compounds.

This work reports, for the first time, an Ethanolic Two-Phase System (ETPS) based on polypropylene glycol 2000 (PPG 2000), mono-, di-, tri-ethylene glycol, and ethanol. An ionic liquid (IL) (1-butyl-3-methylpyridinium chloride) was used as an adjuvant. This ETPS shows promising results for the extraction of highly hydrophobic compounds.

Enzymatic transesterification of coconut oil by using immobilized lipase on biochar: An experimental and molecular docking study.

Guava seed biochar appears as a new alternative of the effective support to the immobilization of Burkholderia cepacia lipase (BCL) by physical adsorption. The objective of this work was to evaluate the potential of this immobilized biocatalyst in the transesterification reaction of crude coconut oil and ethanol and to understand the mechanism of the reaction through the study of molecular docking. The best loading of BCL was determined to be 0.

Oleochemistry potential from Brazil northeastern exotic plants.

Caatinga is a Brazilian semi-arid ecosystem that stands out for presenting unique environmental characteristics with a dry, spiny and deciduous shrub/forest vegetation with several species that can be renewable oil sources with potential applicability in oleochemical and nutrition. Caatinga oilseeds have a high content of unsaturated fatty acids, phytosterols and sterols, and this composition is related to its nutritional potential. The present review summarizes the knowledge on the oil contents and fatty acid profiles of seeds from six representatives caatinga species.

Towards the differential diagnosis of prostate cancer by the pre-treatment of human urine using ionic liquids.

Prostate specific antigen (PSA) is the most widely used clinical biomarker for the diagnosis and monitoring of prostate cancer. Most available techniques for PSA quantification in human fluids require extensive sample processing and expensive immunoassays that are often unavailable in developing countries. The quantification of PSA in serum is the most common practice; however, PSA is also present in human urine, although less used in diagnosis.

A selected bacterial strain for the self-healing process in cementitious specimens without cell immobilization steps.

The use of microorganisms capable of mediating the bioprecipitation process can be an important application in the self-healing processes of cement specimens. Thus, the present study identified and evaluated five Bacillus strains for potential application in the protocol of self-healing via bioprecipitation. Cell growth, enzyme production, and kinetic parameters conditions were evaluated during the fermentation process.

Lipase activation by molecular bioimprinting: The role of interactions between fatty acids and enzyme active site.

Bioimprinting is an easy, sustainable and low-cost technique that promotes a printing of potential substrates on enzyme structure, inducing a more selective and stable conformation. Bioimprinting promotes conformational changes in enzymes, resulting in better catalytic performance. In this work, the effect of bioimprinting of Burkholderia cepacia lipase (BCL) and porcine pancreatic extracts (PPE) with four different fatty acids (lauric acid (C12:0), myristic acid (C14:0), palmitic acid (C16:0), and stearic acid (C18:0)) was investigated.

Design for preparation of more active cross-linked enzyme aggregates of Burkholderia cepacia lipase using palm fiber residue.

A new design of cross-linked enzyme aggregates (CLEAs) of Burkholderia cepacia lipase (BCL) based mainly on the use of lignocellulosic residue of palm fiber as an additive was proposed. Different parameters for the preparation of active CLEAs in the hydrolysis of olive oil, such as precipitation agents, crosslinking agent concentration, additives, and coating agents were investigated. The highest activity yield (121.

Sequential degradation of raw vinasse by a laccase enzyme producing fungus and its ATPS purification.

This study evaluated simultaneously the raw vinasse degradation, an effluent from the sugar-alcohol industry, the laccase production by and its purification using aqueous two-phase systems (ATPS). To improve laccase production, different concentrations of inducers (ethanol and CuSO) were added. The higher laccase production promoted an increase of 4-fold using 0.

Continuous flow reactor based with an immobilized biocatalyst for the continuous enzymatic transesterification of crude coconut oil.

Here, we have assessed the use of one packed bed or two packed bed reactors in series in which Burkholderia cepacia lipase (BCL) was immobilized on protic ionic liquid (PIL)-modified silica and used as a biocatalyst for the transesterification of crude coconut oil. Reaction parameters including volumetric flow, temperature, and molar ratio were evaluated. The conversion of transesterification reaction products (ethyl esters) was determined using gas chromatography and the quantities of intermediate products (diglyceride and monoglyceride [MG]) were assessed using high-performance liquid chromatography.

Real textile effluents treatment using coagulation/flocculation followed by electrochemical oxidation process and ecotoxicological assessment.

As it is well known, the textile industry generates a large amount of wastewater with varied composition that need to be treated. In particular, the Sergipe state, in Brazil, is a region that requires attention due the presence of several local textile industries. In this study, the efficiency of electrochemical oxidation (EO) process applied in the samples of Brazilian textile industry effluents previously treated by physical-chemical process coagulation-flocculation (CF) was evaluated by the reduction in TOC parameter and by the ecotoxicity using Lactuca sativa and Raphidocelis subcapitata bioassays.

Optimization of the enzymatic hydrolysis of Moringa oleifera Lam oil using molecular docking analysis for fatty acid specificity.

Alternative strategies are required to develop the optimized production of fatty acids using biocatalysis; molecular docking and response surface methodology are efficient tools to achieve this goal. In the present study, we demonstrate a novel and robust methodology for the sustainable production of fatty acids from Moringa oleifera Lam oil using lipase-catalyzed hydrolysis (without the presence of emulsifiers or buffer solutions). Seven commercial lipases from Candida rugosa (CRL), Burkholderia cepacia (BCL), Thermomyces lanuginosus (TLL), Rhizopus niveus (RNL), Pseudomonas fluorescens (PFL), Mucor javanicus (MJL), and porcine pancreas (PPL) were used as biocatalysts.

Effects of phosphonium-based ionic liquids on the lipase activity evaluated by experimental results and molecular docking.

In this work, the effect of several phosphonium-based ionic liquids (ILs) on the activity of lipase from Burkholderia cepacia (BCL) was evaluated by experimental assays and molecular docking. ILs comprising different cations ([P ] , [P ] , [P ] ) and anions (Cl , Br , [Deca] , [Phosp] , [NTf ] ) were investigated to appraise the individual roles of IL ions on the BCL activity. From the activity assays, it was found that an increase in the cation alkyl chain length leads to a decrease on the BCL enzymatic activity.

Pineapple crown delignification using low-cost ionic liquid based on ethanolamine and organic acids.

Pineapple fibre was treated with protic ionic liquids (PILs) and the effects on the structure, composition, and properties of the fibres were evaluated. Treatment with PILs efficiently exposed the fibre surface, as confirmed by scanning electron microscopy. The chemical composition analysis revealed reductions in the lignin and hemicellulose contents in the treated fibres, promoting exposure of cellulose.

Pulp wash: a new source for production of ligninolytic enzymes and biomass and its toxicological evaluation after biological treatment.

Pulp wash was used as substrate for the activity of ligninolytic enzymes of the fungus . Activity of laccase (Lac) and manganese peroxidase (MnP) as well as fungal biomass occurred under four conditions: different pulp wash concentrations, pH variation at the optimal pulp wash concentration, different glucose concentrations, and different concentrations of ammonium nitrate. The best enzyme activity and biomass production were obtained with pulp wash and pH corrected to 5.

Liquid-Liquid extraction of phenolic compounds in systems based on acetonitrile + water + polyvinylpyrrolidone at 298.15 K.

This paper contains data related to the research paper entitled "Organic two-phase system based on acetonitrile + water + polyvinylpyrrolidone, a novel concept of liquid-liquid equilibrium: phase diagrams and phenolic compounds partitioning". Data of phase equilibrium were obtained using the cloud point method. After this step, some blending points were chosen to perform the phenolic compounds partitioning (gallic acid, quercetin dihydrate and cyanidin 3-O-glucoside chloride).