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To the best of our knowledge, this report constitutes the first attempt to use a topically applied triggered-release drug delivery system to target the pigmented layer of the retina, in addition to the first attempt to deliver the visual chromophore topically.A new sustainable green protocol for obtaining polyethylene glycol (PEG) conjugates, with a prototype molecule, which in this work was coumarin, by means of click chemistry is presented. The organic solvents commonly used for this type of reaction were replaced by supercritical carbon dioxide (scCO2). The synthesis and characterization of PEG-coumarin were successfully reported using FTIR, 1H NMR, and MALDI TOF. Subsequently, a preliminary study was carried out using the response surface methodology to examine the variables that most affect the use of scCO2 as a reaction medium. The main effects caused by these variables, individually and their binary interaction, have been estimated. The response surface methodology has been used in this work to screen variables using a factorial design 23. The p-values of temperature and pressure were 0.006 and 0.0117, being therefore the most significant variables of the response surface methodology study. Subsequently, a more intensive study has been carried out on the variables that have shown the greatest significant effect on reaction performance where an 82.32% synthesis success was achieved, which broadens the scope of the use of scCO2 as a reaction medium. The conjugated coumarin with mPEG-alkyne and coumarin were evaluated for their in vitro antioxidant activities by the DPPH radical scavenging assay and were found to exhibit substantial activities. The click product showed comparable or even better efficacy than the initial coumarin.Solid adsorbents with precise surface structural chemistry and porosity are of immense interest to decode the structure-property relationships and maintain an energy-intensive path while achieving high activity and durability. In this work, we reported a series of amine-modified zeolites and their CO2 capture efficiencies. The amine impregnated molecular zeolite compounds were characterized and systematically investigated for CO2 adsorption capacity through thermogravimetric analysis for the occurrence of atmospheric pure CO2 gas at 75 °C with diethylenetriamine (DETA), ethylenediamine (EDA), monoethanolamine (MEA), and triethanolamine (TEA)-loaded zeolite 13X, 4A, and 5A adsorbents. The kinetics of the adsorption study indicated that the adsorption capacity for CO2 adsorption was improved with amine loading up to a certain concentration over 13X-DETA-40, showing an adsorption capacity of 1.054 mmol of CO2 per gram of zeolite in a very short amount of time. The result was especially promising in terms of the initial adsorption capacity of zeolite, which adsorbed approximately 0.8 mmol/g zeolite within the first two minutes of experimentation. A detailed flow chart that includes a brief look into the process adopted for adsorption was included. Lagergren pseudo-first- and pseudo-second-order models of 40 wt % DETA zeolite 13X gave CO2 adsorption capacities of 1.055 and 1.058 mmol/g and also activation energies of 86 and 76 kJ/mol, respectively. The CO2 adsorption capacity of 13X-DETA-40 in a lab-scale reactor was found to be 1.69 mmol/g. A technoeconomic study was conducted for the solid amine zeolites to understand the investment per ton of CO2 adsorbed. This study was used as a basis to improve cost estimates from a microscale to a lab-scale reactor. The cost of investment for 13X-DETA-40 was reduced by 84% from $49,830/ton CO2 adsorbed in a microscale reactor to $7,690/ton of CO2 adsorbed in a lab-scale reactor.Energy has become the key material basis of social development. In this work, liquid capric acid-paraffin was evenly adsorbed in the pore structure of expanded graphite (EG) by a physical adsorption method, and the new composite phase change material of capric acid-paraffin/expanded graphite (CA-P/EG) was prepared. The Fourier transform infrared (FT-IR) curves of CA-P/EG composites did not change after 1000 cycles, and there was no new characteristic absorption peak, indicating that CA-P/EG composites have good chemical stability. The results showed that the optimum content of CA-P/EG in a phase change energy storage gypsum board was 20%, and the wet bending strength and compressive strength were 2.42 and 6.45 MPa, respectively. The water absorption was 16.37%, and the apparent density was 1.410 g/cm3. In addition, the melting and freezing temperatures were 26.40 and 23.10 °C, and the latent heats of melting and freezing were 27.20 and 25.69 J/g, respectively. It was found that the gypsum board has excellent thermal stability after 400 times of melting-freezing cycling and that the heat storage capacity increases with the increase of the CA-P/EG content and the thickness of the gypsum board.Dengue and Zika are two mosquito-borne diseases of great impact on public health around the world in tropical and subtropical countries. DENV and ZIKV belong to the Flaviviridae family and the Flavivirus genus. Currently, there are no effective therapeutic agents to treat or prevent these pathologies. The main objective of this work was to evaluate potential inhibitors from active compounds obtained from Marcetia taxifolia by performing inverse molecular docking on ZIKV-NS3-helicase and ZIKV-NS5-RNA polymerase as targets. This computational strategy is based on renormalizing the binding scores of the compounds to these two proteins, allowing a direct comparison of the results across the proteins. The crystallographic structures of the ZIKV-NS3-helicase and ZIKV-NS5-RNA-polymerase proteins share a great similarity with DENV homologous proteins. The P-loop active site of the crystallographic structure of ZIKV-NS3-helicase presents a high percentage of homology with the four dengue serotypes. It was found that most ligands of the active compounds (5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone (5DP); 5-hydroxy-3,6,7,8,3',4'-hexamethoxyflavone (5HH); myricetin-3-O-rhamnoside (M3OR)) from Marcetia taxifolia had a better affinity for ZIKV-NS3-helicase than for ZIKV-NS5-RNA polymerase, as indicated by the negative multiple active site correction (MASC) score, except for M3RG that showed a higher affinity for ZIKV-NS5-RNA polymerase. On the other hand, the AutoDock Vina scores showed that M3OR had the highest score value (-9.60 kcal/mol) and the highest normalized score (1.13) against ZIKV-NS3-helicase. These results in silico demonstrated that the nonstructural proteins NS3-helicase and NS5-RNA polymerase, which share similar molecular structures between the selected viruses, could become therapeutic targets for some bioactive compounds derived from Marcetia taxifolia.The development of sustainable and innovative products through solving the constantly raising demands of end users is one of the significant parts of research and development. Herein, the development of a green composite is reported with the reinforcement of naturally originated flax and artificial glass woven fabrics through incorporating with the methylene diphenyl diisocyanate (MDI) resin. The glass fabrics were treated with silane and flax fabrics by using NaOH before the composite production to increase the affinity of fibers toward the resin. Composite panels were developed with four different ratios of glass and flax woven fabric reinforcement (100/0, 83.33/16.67, 50/50, and 0/100) to investigate their performance with the MDI resin. The composites were characterized by tensile and flexural analysis to investigate the mechanical performances. The thermogravimetric characteristics of the composites were examined for checking the thermal stability of the produced composites. The surface morphology was investigated for observing the surfaces of the composites before and after applying tensile loads. learn more Scanning electron microscopy (SEM) deployed EDX linear scanning was used for ensuring about the signals of different chemical constituents into the matrix. Fourier transform infrared spectroscopy (FTIR) was conducted for finding out the fingerprint of the chemical elements of the produced composites. Besides, the water absorption and moisture content tests were also conducted to examine the moisture absorption by the pure glass, flax, and hybrid composites. Further, statistical analysis of variances was performed to test the significance of the differences in the mechanical properties of the individual types of the composites developed. For investigating the relationship between the proportion of woven glass fabric in the reinforcement and the mechanical properties, regression analysis was used. The ANOVA test was also examined for checking the significance of the mechanical properties of the composites.Colombia is experiencing significant growth in its agricultural areas, its diverse production chains make the country an excellent candidate in the development of biorefineries, and as a result, there is an increasing need to take full advantage of biomass and obtain high value-added by-products from waste. In this sense, biorefineries are presented as a great alternative for the use of biomass; however, the methodologies of biorefinery synthesis lack a parameter that limits the growth of production lines under incremental exergetic and economic returns. This research develops a biorefinery synthesis methodology using an African palm biorefinery as a case study; a novel approach is developed to facilitate a stop criterion for biorefinery expansion through a combined consideration of economic incremental returns (IROI) and exegetical returns of investment (ExROI), avoiding unnecessary plant expansions or new processes that are not profitable or adequate in terms of useful energy. The development of this methodnew alternative for decision-making in regard to plant design, plant expansion projects, and implementation of subprocesses.G9a protein methyltransferase is a potential epigenetic drug target in different cancers and other disease conditions overexpressing the enzyme. G9a is responsible for the H3K9 dimethylation mark, which epigenetically regulates gene expression. Arg8 and Lys9 of the H3 substrate peptide are the two crucial residues for substrate-specific recognition and methylation. Several substrate competitive inhibitors are reported for the potent inhibition of G9a by incorporating lysine mimic groups in the inhibitor design. In this study, we explored the concept of arginine mimic strategy. The hydrophobic segment of the reported inhibitors BIX-01294 and UNC0638 was replaced by a guanidine moiety (side-chain moiety of arginine). The newly substituted guanidine moieties of the inhibitors were positioned similar to the Arg8 of the substrate peptide in molecular docking. Additionally, improved reactivity of the guanidine-substituted inhibitors was observed in density functional theory studies. Molecular dynamics, molecular mechanics Poisson-Boltzmann surface area binding free energy, linear interaction energy, and potential mean force calculated from steered molecular dynamics simulations of the newly designed analogues show enhanced conformational stability and improved H-bond potential and binding affinity toward the target G9a. Moreover, the presence of both lysine and arginine mimics together shows a drastic increase in the binding affinity of the inhibitor towards G9a. Hence, we propose incorporating a guanidine group to imitate the substrate arginine's side chain in the inhibitor design to improve the potency of G9a inhibitors.
Website: https://www.selleckchem.com/products/az-3146.html
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