Study of the antibacterial and cytotoxic activity of chitosan and its derivatives chemically modified with phthalic anhydride and ethylenediamine.

The insertion of hydrophobic and hydrophilic chains in the chitosan molecule can improve its antibacterial activity, expanding its range of application in several areas of medical-pharmaceutical sciences. Thus, this work aimed to increase the antibacterial activity of chitosan through the modification reaction with phthalic anhydride (QF) and subsequent reaction with ethylenediamine (QFE). The chitosan and derivatives obtained were characterized by elemental analysis, 13C Nuclear Magnetic Resonance (13C NMR), X-Ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FTIR) and Thermogravimetric Analysis (TG), where it was possible to prove the chemical modification. Both materials showed a greater antibacterial inhibitory effect against Gram-positive bacteria, Staphylococcus aureus, emphasizing antibacterial activity against Gram-negative bacteria, Escherichia coli, with values above 70 % of the inhibitory effect, which is a promising result. Assays with human fibroblast cells by the [3-(4,5-dimethylthiazolyl)-2,5-diphenyl tetrazolium (MTT)] bromide reduction test did not indicate toxicity in the materials. Thus, the derived materials showed promise for biomedical applications since they combined excellent antibacterial activity against gram-positive and gram-negative strains and did not show cytotoxicity.

Capra hircus outliers markers in Brazil: Searching for genomic regions under the action of natural selection.

Identifying genome regions subject to selection in local breeds of Brazil is an opportunity to elucidate the C. hircus genome plasticity, flowing the colonization history of the country. Using SNP Bead Chip Illumina 50K genotyping of Brazilian Anglo-Nubian (standardized breed) and Marota (local endangered population from the semiarid area of Brazil) to show outliers loci in genome regions subject to selection. After applying data quality control, 45,600 SNPs were included in this investigation. Principal component analysis (PCAdapt) and FDIST2 analysis signalized 14 genomic regions more affected by selection in the Brazilian dry zone environment. The genome study signalized regions that are close to the sequences of genes related to growth and embryonic skeletal development (FGF12, AMPD2, OSTN). In addition, flagged regions close to the genes UTSB2 and SLC5A2 contribute to research on functional adaptation with low water needs and poor nutritive diet to survive. Both genes encode proteins that act on osmotic pathways and avoid cell flooding on stress cell responses. Further studies on the genetic role and involvement of these outliers' genomic regions, building a robust conceptual high-resolution map of natural selection drives, help to achieve hardiness candidate genes linked to the evolutionary history of Capra hircus in the semiarid area of Brazil.

Organic-Inorganic Hybrid Pigments Based on Bentonite: Strategies to Stabilize the Quinoidal Base Form of Anthocyanin.

Anthocyanins are one of the natural pigments that humanity has employed the most and can substitute synthetic food dyes, which are considered toxic. They are responsible for most purple, blue, and red pigment nuances in tubers, fruits, and flowers. However, they have some limitations in light, pH, oxygen, and temperature conditions. Combining biomolecules and inorganic materials such as clay minerals can help to reverse these limitations. The present work aims to produce materials obtained using cetyltrimethylammonium bromide in bentonite clay for incorporation and photostabilization of anthocyanin dye. Characterizations showed that the organic molecules were intercalated between the clay mineral layers, and the dye was successfully incorporated at a different pH. Visible light-driven photostability tests were performed with 200 h of irradiation, confirming that the organic-inorganic matrices were efficient enough to stabilize the quinoidal base form of anthocyanin. The pigment prepared at pH 10 was three-fold more stable than pH 4, showing that the increase in the synthesis pH promotes more stable colors, probably due to the stronger intermolecular interaction obtained under these conditions. Therefore, organobentonite hybrids allow to stabilize the fragile color coming from the quinoidal base form of anthocyanin dyes.

Modification of chicha gum: Antibacterial activity, ex vivo mucoadhesion, antioxidant activity and cellular viability.

The aim of the present work was to modify the exuded gum of Sterculia striata tree by an amination reaction. The viscosity and zero potential of the chicha gum varied as a function of pH. The modification was confirmed by X-ray diffraction (XRD), infrared spectroscopy (FTIR), size exclusion chromatography (SEC), zeta potential, thermogravimetric analysis (TG), and differential scanning calorimetry (DSC). Furthermore, the chemical modification changed the molar mass and surface charge of the chicha gum. In addition, the gums were used in tests for ex vivo mucoadhesion strength, antibacterial activity against the standard strain of Staphylococcus aureus (ATCC 25923), inhibitory activity of α-glucosidase, antioxidant capacity, and viability of Caco-2 cells. Through these tests, it was found that amination caused an increase in the mucoadhesive and inhibitory activity of chicha gum against the bacterium Staphylococcus aureus. In addition, the gums (pure and modified) showed antioxidant capacity and an inhibitory effect against the α-glucosidase enzyme and did not show cytotoxic potential.

Biochar Obtained from Caryocar brasiliense Endocarp for Removal of Dyes from the Aqueous Medium.

Given the increase in environmental pollution, especially of water, the emergence of studies that seek to develop strategies to mitigate/treat such effects have gained prominence in the world scientific community. Among the numerous adsorption processes, those made from biochar production stand out. This study analyzed the adsorption properties of the blue methylene model dye in the aqueous solution of biochar and activated biochar developed from pequi (Caryocar brasiliense) endocarp. The biochar was characterized, before and after adsorption, by infrared spectroscopy (FTIR), scanning electron microscopy (SEM), X-ray diffractometry (XRD), and thermogravimetric analysis (TG). The surface load of the materials was performed by the point of zero charge (pHPZC) method. The study also included analyses of contact time parameters and adsorbed concentration in the adsorption process. Morphological analysis showed that a more significant and profound number of fissures and pores appeared in the activated biochar compared to the biochar. Residual mass analysis evidenced that biochar lost about 15% more mass than the activated biochar, indicating that activation occurred satisfactorily. The adsorption process was well adjusted by pseudo-second-order kinetics and Langmuir's isothermal model. The activated biochar achieved an excellent adsorption capacity of 476.19 mg.g-1, thus demonstrating to be a sound system for removing dyes from an aqueous medium.

Amino-Functionalized Titanate Nanotubes: pH and Kinetic Study of a Promising Adsorbent for Acid Dye in Aqueous Solution.

This work reports the functionalization of sodium titanate nanotubes with amine groups obtained from the reaction of titanate nanotubes with [3-(2-Aminoethylamino)propyl]trimethoxysilane, NaTiNT-2NH, and 3-[2-(2-Aminoethylamino)ethylamino]propyltrimethoxysilane, NaTiNT-3NH. It was verified that the crystalline and morphological structures of NaTiNT were preserved after the functionalization, spectroscopies showed that aminosilane interacted covalently with the surface of NaTiNT, and the incorporation of the aminosilane groups on the surface of NaTiNT can be confirmed. The adsorbent matrices NaTiNT-2NH and NaTiNT-3NH were used to remove the anionic dye from remazol blue R (RB) in aqueous medium, and the highest adsorption capacity was around 365.84 mg g-1 (NaTiNT-2NH) and 440.70 mg g-1 (NaTiNT-3NH) in the range of pH 5.0 to 10.0 and the equilibrium time was reached in 210 min (NaTiNT-2NH) and 270 min (NaTiNT-3NH). Furthermore, the Elovich model, which reports the adsorption in heterogeneous sites and with different activation energies in the chemisorption process, was the most appropriate to describe the adsorption kinetics. Thus, these adsorbent matrices can be used as an alternative potential for dye removal RB in aqueous solution.

Application of Water Hyacinth Biomass (Eichhornia crassipes) as an Adsorbent for Methylene Blue Dye from Aqueous Medium: Kinetic and Isothermal Study.

Water pollution has generated the need to develop technologies to remove industrial pollutants. Adsorption has been recognized as one of the most effective techniques for effluent remediation. In this study, parts (stem and leaves) of a problematic aquatic weed, the water hyacinth (Eichhornia crassipes), were separated to produce a bioadsorbent. The objective was to evaluate the adsorption of a cationic dye, methylene blue (MB), in an aqueous solution of the biomass from different parts of the water hyacinth (Eichhornia crassipes) plants. The materials were characterized through techniques of infrared spectroscopy, scanning electron microscopy, X-ray diffractometry, and thermogravimetric analysis, before and after the material adsorption. Water hyacinth biomasses presented adsorption capacity above 89%, and the kinetics was faster for stem biomass. The kinetic study found that the adsorption process is better described by the pseudo-second-order model, and the adjustments of the isotherm experimental data indicated that both materials are favorable for adsorption. Therefore, water hyacinth bioadsorbent represents a renewable resource with potential for effluent treatment.

Nanocomposite Hydrogel Produced from PEGDA and Laponite for Bone Regeneration.

Herein, a nanocomposite hydrogel was produced using laponite and polyethylene-glycol diacrylate (PEGDA), with or without Irgacure (IG), for application in bone tissue regeneration. The nanocomposites were characterized by X-ray diffraction (XRD), Fourier-Transform infrared spectroscopy (FTIR), and thermal analysis (TG/DTG). The XRD results showed that the crystallographic structure of laponite was preserved in the nanocomposite hydrogels after the incorporation of PEGDA and IG. The FTIR results indicated that PEGDA polymer chains were entangled on laponite in hydrogels. The TG/DTG found that the presence of laponite (Lap) improved the thermal stability of nanocomposite hydrogel. The toxicity tests by Artemia salina indicated that the nanocomposite hydrogels were not toxic, because the amount of live nauplii was 80.0%. In addition, in vivo tests demonstrated that the hydrogels had the ability to regenerate bone in a bone defect model of the tibiae of osteopenic rats. For the nanocomposite hydrogel (PEGDA + Lap nanocomposites + UV light), the formation of intramembranous bone in the soft callus was more intense in 66.7% of the animals. Thus, the results presented in this study evidence that nanocomposite hydrogels obtained from laponite and PEGDA have the potential for use in bone regeneration.

Au@Ag bimetallic nanoparticles deposited on palygorskite in the presence of TiO2 for enhanced photodegradation activity through synergistic effect.

Herbicides are hazardous organic pollutants that contribute to the risk of environmental contamination. The aim of this work was to investigate the synergistic effect of silver (Ag) and gold (Au) bimetallic nanoparticles deposited on palygorskite (PAL) in the presence of TiO2 for photodegradation of bentazone (BTZ) herbicide under UV light. Ag and Au@Ag nanoparticles exhibited an average size below 75 nm and surface charge values less than - 30 mV. UV-Vis spectroscopy indicates the formation of core@shell bimetallic nanoparticles. XRD results showed the interactions between the NPs and the palygorskite structure. SEM images clearly illustrate the presence of small spherical particles distributed in the clay fibers. The control of the size and distribution of the nanoparticles played an important role in the properties of the composites. The degradation of the herbicide BTZ showed that nanoparticles, clay, and only TiO2 did not produce satisfactory results; however, when Ag-Pal and Au@Ag-Pal were in the presence of the TiO2, the degradation was efficient. The best photodegradative system was Au@Ag-Pal+TiO2, which was maintained after the third cycle. The bentazone photodegradation using Au@Ag-PAL+TiO2 exhibited toxicity against Artemia salina. Therefore, Au@Ag-PAL+TiO2 photocatalyst showed that the synergy of bimetallic nanoparticles deposited on clay for enhanced photodegradation activity of bentazone herbicide.

Constituents of buriti oil (Mauritia flexuosa L.) like inhibitors of the SARS-Coronavirus main peptidase: an investigation by docking and molecular dynamics.

Statistics show alarming numbers of infected and killed in the world, caused by the Covid-19 pandemic, which still doesn't have a specific treatment and effective in combating all efforts to seek treatments and medications against this disease. Natural products are of relevant interest in the search for new drugs. Thus, Buriti oil (Mauritia flexuosa L.) is a natural product extracted from the fruit of the palm and is quite common in the legal Amazon region, Brazil. In the present work, the anti-Covid-19 biological activity of some constituents of Buriti oil was investigated using in silico methods of Molecular Docking and Molecular Dynamics Simulations. The main results of Molecular Docking revealed favorable interaction energies in the formation of the 2GTB peptidase complex (main peptidase of SARS-CoV) with the 13-cis-ß-carotene ligands (ΔGbind = -10.23Kcal mol-1), 9-cis -ß-carotene (ΔGbind = -9.82Kcal mol-1), and α-carotene (ΔGbind = -8.34Kcal mol-1). Molecular Dynamics simulations demonstrated considerable interaction for these ligands with emphasis on α-carotene. Such theoretical results encourage and enable a direction for experimental studies in vitro and in vivo, essential in the development of new drugs with enzymatic inhibitory action for Covid-19.Communicated by Ramaswamy H. Sarma.

Kaolinite/cashew gum bionanocomposite for doxazosin incorporation and its release.

Incorporation of drugs in clay minerals has been widely proposed for the controlled-release or increased solubility of drugs. In this context, a bionanocomposite based on kaolinite and cashew gum (Kln/Gum) was synthesized and characterized by X-ray diffraction (XRD), thermal analysis (TG/DTA), and Fourier transform infrared spectroscopy (FTIR). The bionanocomposite was applied to the incorporation and further release of doxazosin mesylate (DB). The influence of solution pH (1-3), adsorbent dose (20-50 mg), initial drug concentration (20.0-70.0 mg L-1), contact time (15-300 min), and temperature (25, 35, and 45 °C) were systematically evaluated. Equilibrium was reached around 60 min, with a maximum adsorption capacity of 31.5 ± 2.0 mg g-1 at a pH of 3.0 and 25 °C. Hydrogen bonding contributed to DB incorporation on the Kln/Gum. In addition, DB maximum amounts of 16.80 ± 0.58 and 77.00 ± 2.46% were released at pH values of 1.2 and 7.4, respectively. These results indicated that the Kln/Gum bionanocomposite is an effective and promising material for the incorporation/release of drugs with similar structures to DB.

Fabrication of Polymeric Microparticles by Electrospray: The Impact of Experimental Parameters.

Microparticles (MPs) with controlled morphologies and sizes have been investigated by several researchers due to their importance in pharmaceutical, ceramic, cosmetic, and food industries to just name a few. In particular, the electrospray (ES) technique has been shown to be a viable alternative for the development of single particles with different dimensions, multiple layers, and varied morphologies. In order to adjust these properties, it is necessary to optimize different experimental parameters, such as polymer solvent, voltage, flow rate (FR), type of collectors, and distance between the collector and needle tip, which will all be highlighted in this review. Moreover, the influence and contributions of each of these parameters on the design and fabrication of polymeric MPs are described. In addition, the most common configurations of ES systems for this purpose are discussed, for instance, the main configuration of an ES system with monoaxial, coaxial, triaxial, and multi-capillary delivery. Finally, the main types of collectors employed, types of synthesized MPs and their applications specifically in the pharmaceutical and biomedical fields will be emphasized. To date, ES is a promising and versatile technology with numerous excellent applications in the pharmaceutical and biomaterials field and such MPs generated should be employed for the improved treatment of cancer, healing of bone, and other persistent medical problems.

Study of interactions between organic contaminants and a new phosphated biopolymer derived from cellulose.

The extensive use of organic molecules (Rhodamine B and Amitriptyline) also has contributed to environmental pollution; adsorption is a relevant method for removal of these contaminants in aqueous media. In this context, the objective of this study was to modify the surface of cellulose (Cel) with phosphoric acid and sodium tripolyphosphate to obtain a biopolymer with incorporated phosphate groups (PCel). The modification was confirmed by X-ray dispersive energy spectroscopy, solid state nuclear magnetic resonance, X-ray diffraction, and thermal analysis. The obtained material (PCel) was used as a Rhodamine B (RhB) or Amitriptyline (AmTP) adsorbent, and the highest adsorption capacity of this material was obtained at pH 3.0 (RhB) and 7.0 (AmTP) and the equilibrium time was achieved at 65 (RhB) and 150 min (AmTP). Moreover, the pseudo-first-order model best describes the kinetics of this adsorption. The experimental adsorption isotherms were adjusted to the Langmuir model, indicating that monolayer adsorption occurred and the highest experimental adsorption capacity obtained was 47.58 (RhB) and 45.52 mg g-1 (AmTP) in PCel. The thermodynamic parameters showed that the adsorption process is exothermic and non-spontaneous, with increase of non-spontaneity with enhance of the temperature. However, PCel was efficient in removing the contaminant (RhB or AmTP) in an aqueous solution.

Hybrid Systems Based on Talc and Chitosan for Controlled Drug Release.

Inorganic matrices and biopolymers have been widely used in pharmaceutical fields. They show properties such as biocompatibility, incorporation capacity, and controlled drug release, which can become more attractive if they are combined to form hybrid materials. This work proposes the synthesis of new drug delivery systems (DDS) based on magnesium phyllosilicate (Talc) obtained by the sol-gel route method, the biopolymer chitosan (Ch), and the inorganic-organic hybrid formed between this matrix (Talc + Ch), obtained using glutaraldehyde as a crosslink agent, and to study their incorporation/release capacity of amiloride as a model drug. The systems were characterized by X-ray diffraction (XRD), Therma analysis TG/DTG, and Fourier-transform infrared spectroscopy (FTIR) that supported the DDS's formation. The hybrid showed a better drug incorporation capacity compared to the precursors, with a loading of 55.74, 49.53, and 4.71 mg g-1 for Talc + Ch, Talc, and Ch, respectively. The release assays were performed on a Hanson Research SR-8 Plus dissolver using apparatus I (basket), set to guarantee the sink conditions. The in vitro release tests showed a prolongation of the release rates of this drug for at least 4 h. This result proposes that the systems implies the slow and gradual release of the active substance, favoring the maintenance of the plasma concentration within a therapeutic window.

Understanding kinetics and thermodynamics of the interactions between amitriptyline or eosin yellow and aminosilane-modified cellulose.

A new adsorbent matrix (Cel-SiN) for the adsorption of the dye eosin yellow (EY) and the drug amitriptyline (AMI) from aqueous media has been synthesized. The Cel-SiN matrix was obtained via chemical modification of cellulose with (3-aminopropyl)trimethoxysilane. Successful modification was confirmed using Fourier transform infrared (FTIR) and 13C and 29Si solid state nuclear magnetic resonance (SSNMR) spectroscopies, thermal analysis (TG/DTG), X-ray diffraction (XRD), and elemental analysis. The effects of pH, contact time, concentration, and temperature were evaluated in batch adsorption tests. Cel-SiN efficiently adsorbed AMI and EY in aqueous media, with maximum adsorption capacities of 92.28 ±â€¯1.34 mg g-1 for AMI (pH = 7, time =240 min, and temperature = 318 K) and 61.0 ±â€¯0.36 mg g-1 for EY (pH = 5, time =80 min, and temperature = 298 K). The adsorption process occurs mainly via hydrogen bonding interactions for AMI and electrostatic interactions for EY.

Potential of amino-functionalized cellulose as an alternative sorbent intended to remove anionic dyes from aqueous solutions.

Adsorption has been explored to minimize the pollution caused by dyes. This work relates the preparation of diethylenetriamine-modified cellulose (DetaCel) by reacting phthalic anhydride-modified cellulose (PhCel) with diethylenetriamine (Deta). Materials were characterized by Elemental Analysis and results showed a degree of incorporation of 5.55 ±â€¯0.02 mmol of nitrogen per gram of modified material. The main bands observed for DetaCel by Fourier-Transform Infrared Spectroscospy (FTIR) were attributed to CN deformation (1330 cm-1) and NH stretching of amide (3400 cm-1), while Solid State Nuclear Magnetic Resonance of 13C (13C{1H}CP-MAS NMR) showed a signal at 164.6 ppm characteristic of amide group. Crystallinity index (CrI) obtained by X-Ray Diffraction (XRD) was 74.99 (Cel), 58.64 (PhCel) and 46.12% (DetaCel). Adsorbent matrices were employed to remove methyl orange (MO) and eosin (EY) dyes in aqueous medium. Data obtained experimentally from kinetic study had a better fit to the pseudo-first order, thus the adsorption process occurs in monolayer, with MO adsorption capacity by Cel and DetaCel of 2.19 and 65.45 mg g-1, respectively. For EY adsorption by Cel and DetaCel was 1.30 and 56.69 mg g-1, respectively. These results suggest that DetaCel can be used as an alternative potential for removal dyes in aqueous solution.

Direct Modification of Microcrystalline Cellulose with Ethylenediamine for use as Adsorbent for Removal Amitriptyline Drug from Environment.

Cellulose derivatives have been widely used as adsorbents for the removal of micropollutants such as drugs, dyes, and metals, due to their abundance, low cost and non-contaminating nature. In this context, several studies have been performed searching for new adsorbents (cellulose derivatives) efficient at contaminant removal from aqueous solutions. Thus, a new adsorbent was synthesized by chemical modification of cellulose with ethylenediamine in the absence of solvent and applied to the adsorption of amitriptyline (AMI) in aqueous solution. The modification reaction was confirmed by X-ray Diffraction (XRD), elemental analysis, Fourier Transform Infrared Spectroscopy (FTIR), Thermogravimetry/Differential Scanning Calorimeter (TG/DSC), solid state Nuclear Magnetic Resonance of ¹H and 13C (¹H-NMR and 13C-NMR). Moreover, the effectiveness of reaction was confirmed by computational calculations using Density Functional Theory (DFT) at level B3LYP/6-31G(d). This adsorption process was influenced by pH, time, concentration, temperature and did not show significant changes due to the ionic strength variation. Through these experiments, it was observed that the maximum adsorption capacity of AMI by CN polymer at 298 K, 300 min, and pH 7 was 87.66 ± 0.60 mg·g-1.

Development of new phosphated cellulose for application as an efficient biomaterial for the incorporation/release of amitriptyline.

In the last years has increased the study about the using of natural biopolymers and theirs derivatives in the removal (adsorption/incorporation) of contaminats of medium aqueous, and theirs utilization in the desorption (release) de drugs. However, there not in the literature studies about the utilization of the cellulose and cellulose phosphate in the adsorption (incorporation)/desorption (release) of the drug amitriptyline (AMI). Therefore, in this study was accomplished the synthesized of the phosphated cellulose (PC) through the reaction of pure cellulose (C) with sodium trimetaphosphate (P) under-reflux, for 4h and at 393K. The efficiency of the reaction was observed by XRD, TG/DTG, (31)P NMR and EDS. The adsorption study for the AMI in aqueous medium was carried out by varying the time, pH, concentration, temperature and ionic strength. The results showed that the PC showed a greater adsorption capacity of AMI than pure cellulose, presenting an increase of about 102.72% in the adsorption capacity of the drug by cellulose after the phosphating reaction. In desorption of drug from the surface of biomaterials was performed by varying the pH and time, where it was observed that PC showed a maximum release of 40.98% ± 0.31% at pH 7.

Phosphated Cellulose as an Efficient Biomaterial for Aqueous Drug Ranitidine Removal.

Crystalline cellulose chemically modified through a reaction with sodium trimetaphosphate (STMP) in an acidic or basic condition yielded Cel-P4 and Cel-P10. These phosphated solids were characterized by elemental analysis, X-ray diffraction (XRD), infrared (IR) spectroscopy, scanning electron microscopy (SEM), nuclear magnetic resonance (NMR) at the solid state for phosphorus nucleus and dispersive X-ray energy. The elemental results demonstrated that the phosphorylation reaction was more efficient in the basic medium, as supported by the amount of phosphorous content. The synthesized biomaterials decreased in crystallinity in comparison to the precursor cellulose, with an increase in roughness and present two distinct phosphorus environments in the formed structure. The phosphated cellulose in an alkaline condition was applied to sorb the drug ranitidine. This process was applied in varying pH, time, temperature and concentration. The best sorption kinetic model to fit the experimental data was the pseudo-second-order with a coefficient correlation of 0.8976, and the Langmuir isotherm model was the most adjusted to the variation in concentration. The efficient drug sorption has a low dependence on temperature, with maximum values of 85.0, 82.0 mg and 85.7 mg·g-1 for Cel-P10 at 298, 308 and 318 K, respectively. The best sorption occurred at pH = 6 with a saturation time of 210 min.