Gravespacheco6847

A component of Salvia hispanica, α-linolenic acid, has been evaluated as a green corrosion inhibitor for 1018 carbon steel in 0.5 M sulfuric acid using weight loss tests, potentiodynamic polarization curves and electrochemical impedance spectroscopy (EIS) measurements. Y-27632 solubility dmso Theoretical calculations using Density Functional Theory (DFT) were used also. The results have shown that this compound is a good corrosion inhibitor, with an efficiency which increased with an increase in its concentration up to 600 ppm, but it decreased with a further increase in the concentration. α-linolenic acid formed protective corrosion products layer because it was chemically adsorbed onto the steel surface according to a Langmuir type of adsorption isotherms. Polarization curves have shown that α-linolenic acid is a good, mixed type of inhibitor with a predominant effect on the cathodic hydrogen evolution reactions. EIS measurements indicated a charge transfer-controlled corrosion process. DFT calculations indicated that α-linolenic acid was more efficient in an acidic environment than in a neutral one because has a high tendency to donate electrons and can be easily protonated. In addition to this, it had the highest EHUMO value, the best chemical reactivity, the greatest tendency to transfer electrons and a greater facility of modifying its electronic configuration in the presence of carbon steel specimens according to its chemical hardness value.The utilization of nanoparticles for a variety of applications has raised much interest in recent years as new knowledge has emerged in nanochemistry. New and diverse methods for synthesis, characterization, and application of these particles have been discovered with differing degrees of ease and reproducibility. Post-synthetic modification of nanoparticles is often a required step to facilitate their use in applications. The reaction conditions and chemical environment for the nanoparticle synthesis may not support or may conflict with further reactions. For this reason, it is beneficial to have phase transfer methods for nanoparticles to allow for their dispersion in a variety of solvents. Phase transfer methods are often limited in the types and sizes of particles that can be effectively dispersed in an immiscible solvent. Currently, general transfer methods for a wide variety of nanoparticles have not been identified. New routes for phase transfer allow for utilization of a larger range of particles in applications which were previously limited by solubility and reactivity issues. In this work, we will describe the fundamental methods for the phase transfer of metallic nanoparticles. We will look at the major problems and pitfalls of these methods. The applications of phase transfer will also be reviewed, mainly focusing on catalysis and drug delivery.The current protocols for neuropathic pain management include µ-opioid receptor (MOR) analgesics alongside other drugs; however, there is debate on the effectiveness of opioids. Nevertheless, dose escalation is required to maintain their analgesia, which, in turn, contributes to a further increase in opioid side effects. Finding novel approaches to effectively control chronic pain, particularly neuropathic pain, is a great challenge clinically. Literature data related to pain transmission reveal that angiotensin and its receptors (the AT1R, AT2R, and MAS receptors) could affect the nociception both in the periphery and CNS. The MOR and angiotensin receptors or drugs interacting with these receptors have been independently investigated in relation to analgesia. However, the interaction between the MOR and angiotensin receptors has not been excessively studied in chronic pain, particularly neuropathy. This review aims to shed light on existing literature information in relation to the analgesic action of AT1R and AT2R or MASR ligands in neuropathic pain conditions. Finally, based on literature data, we can hypothesize that combining MOR agonists with AT1R or AT2R antagonists might improve analgesia.The flame-retardant performance of materials has become an increasingly crucial factor for society across a broad range of applications in aircraft, automobiles, civil infrastructure, and consumer products [...].While the sonochemical grafting of molecules on silicon hydride surface to form stable Si-C bond via hydrosilylation has been previously described, the susceptibility towards nucleophilic functional groups during the sonochemical reaction process remains unclear. In this work, a competitive study between a well-established thermal reaction and sonochemical reaction of nucleophilic molecules (cyclopropylamine and 3-Butyn-1-ol) was performed on p-type silicon hydride (111) surfaces. The nature of surface grafting from these reactions was examined through contact angle measurements, X-ray photoelectron spectroscopy (XPS) and atomic force microscopy (AFM). Cyclopropylamine, being a sensitive radical clock, did not experience any ring-opening events. This suggested that either the Si-H may not have undergone homolysis as reported previously under sonochemical reaction or that the interaction to the surface hydride via a lone-pair electron coordination bond was reversible during the process. On the other hand, silicon back-bond breakage and subsequent surface roughening were observed for 3-Butyn-1-ol at high-temperature grafting (≈150 °C). Interestingly, the sonochemical reaction did not produce appreciable topographical changes to surfaces at the nano scale and the further XPS analysis may suggest Si-C formation. This indicated that while a sonochemical reaction may be indifferent towards nucleophilic groups, the surface was more reactive towards unsaturated carbons. To the best of the author's knowledge, this is the first attempt at elucidating the underlying reactivity mechanisms of nucleophilic groups and unsaturated carbon bonds during sonochemical reaction of silicon hydride surfaces.(+)-Catechin-laccase oxidation dimeric standards were hemi-synthesized using laccase from Trametes versicolor in a water-ethanol solution at pH 3.6. Eight fractions corresponding to eight potential oxidation dimeric products were detected. The fractions profiles were compared with profiles obtained with two other oxidoreductases polyphenoloxidase extracted from grapes and laccase from Botrytis cinerea. The profiles were very similar, although some minor differences suggested possible dissimilarities in the reactivity of these enzymes. Five fractions were then isolated and analyzed by 1D and 2D NMR spectroscopy. The addition of traces of cadmium nitrate in the samples solubilized in acetone-d6 led to fully resolved NMR signals of phenolic protons, allowing the unambiguous structural determination of six reaction products, one of the fractions containing two enantiomers. These products can further be used as oxidation markers to investigate their presence and evolution in wine during winemaking and wine ageing.The non-coding RNAs (ncRNA) are RNA transcripts with different sizes, structures and biological functions that do not encode functional proteins. RNA G-quadruplexes (rG4s) have been found in small and long ncRNAs. The existence of an equilibrium between rG4 and stem-loop structures in ncRNAs and its effect on biological processes remains unexplored. For example, deviation from the stem-loop leads to deregulated mature miRNA levels, demonstrating that miRNA biogenesis can be modulated by ions or small molecules. In light of this, we report several examples of rG4s in certain types of ncRNAs, and the implications of G4 stabilization using small molecules, also known as G4 ligands, in the regulation of gene expression, miRNA biogenesis, and miRNA-mRNA interactions. Until now, different G4 ligands scaffolds were synthesized for these targets. The regulatory role of the above-mentioned rG4s in ncRNAs can be used as novel therapeutic approaches for adjusting miRNA levels.Benzo(a)pyrene (BaP) has been recognized as a marker for the detection of carcinogenic polycyclic aromatic hydrocarbons. In this work, a novel monolithic solid-phase extraction (SPE) sorbent based on graphene oxide nanoparticles (GO) in starch-based cryogel composite (GO-Cry) was successfully prepared for BaP analysis. link2 Rice flour and tapioca starch (gel precursors) were gelatinized in limewater (cross-linker) under alkaline conditions before addition of GO (filler) that can increase the ability to extract BaP up to 2.6-fold. BaP analysis had a linear range of 10 to 1000 µgL-1 with good linearity (R2 = 0.9971) and high sensitivity (4.1 ± 0.1 a.u./(µgL-1)). The limit of detection and limit of quantification were 4.21 ± 0.06 and 14.04 ± 0.19 µgL-1, respectively, with excellent precision (0.17 to 2.45%RSD). The accuracy in terms of recovery from spiked samples was in the range of 84 to 110% with no significant difference to a C18 cartridge. GO-Cry can be reproducibly prepared with 2.8%RSD from 4 lots and can be reused at least 10 times, which not only helps reduce the analysis costs (~0.41USD per analysis), but also reduces the resultant waste to the environment.With tuberculosis still being one of leading causes of death in the world and the emergence of drug-resistant strains of Mycobacterium tuberculosis (Mtb), researchers have been seeking to find further therapeutic strategies or more specific molecular targets. PknB is one of the 11 Ser/Thr protein kinases of Mtb and is responsible for phosphorylation-mediated signaling, mainly involved in cell wall synthesis, cell division and metabolism. With the amount of structural information available and the great interest in protein kinases, PknB has become an attractive target for drug development. This work describes the optimization and application of an in silico computational protocol to find new PknB inhibitors. This multi-level computational approach combines protein-ligand docking, structure-based virtual screening, molecular dynamics simulations and free energy calculations. The optimized protocol was applied to screen a large dataset containing 129,650 molecules, obtained from the ZINC/FDA-Approved database, Mu.Ta.Lig Virtual Chemotheca and Chimiothèque Nationale. It was observed that the most promising compounds selected occupy the adenine-binding pocket in PknB, and the main interacting residues are Leu17, Val26, Tyr94 and Met155. Only one of the compounds was able to move the active site residues into an open conformation. It was also observed that the P-loop and magnesium position loops change according to the characteristics of the ligand. This protocol led to the identification of six compounds for further experimental testing while also providing additional structural information for the design of more specific and more effective derivatives.The hypoxia conditions in intensive farming systems generate oxidative stress related to oxidative damage and mortality of fish. Corn husk meal (CHM), as a source of antioxidants, might modulate the antioxidant response and prevent the damage elicited by hypoxia. This study evaluated CHM's ability to modulate a hepatic response in Nile tilapia exposed to hypoxia. A control and a test diet supplemented with 25 g CHM/kg feed were formulated. Ninety Nile tilapias (5.09 ± 0.55 g initial weight) were fed for 36 days to evaluate growth, feed efficiency, and hepatic antioxidant response (CAT, catalase; SOD, superoxide dismutase, and GPx, glutathione peroxidase) in normal oxygen conditions (normoxia). link3 After the feeding trial (36 days), fish were exposed to hypoxia (1.5 ± 0.2 mg/L dissolved oxygen), and the hepatic antioxidant response was determined. There was no significant effect of CHM on growth and feed efficiency. The CAT activity was significantly increased in tilapias exposed to hypoxia and fed the test diet compared to the control group exposed to hypoxia.