10 research outputs found
Preparation and Characterization of (PMMA-Berry Paper or Plan Leaves) Composites
In this paper, study the effect of addition the Berry Paper or Plan Leaves on optical properties of PMMA. The samples have been prepared by casting technique and different thickness. . The absorption and transmission spectra have been recorded in the wavelength range (200 – 800) nm. The experimental results show that the absorption coefficient, energy gap of the indirect allowed and forbidden transition, extinction coefficient, read and imaginary dielectric constant and refractive index are changing with increase the of Berry Paper or Plan Leaves concentration
Synthesis of new Norfloxacin-Tin complexes to mitigate the effect of ultraviolet-visible irradiation in polyvinyl chloride films
Polyvinyl chloride is used in the manufacturing of a wide range of products, but it is susceptible to degradation if exposed to high temperatures and sunlight. There is therefore a need to continuously explore the design, synthesis, and application of new and improved additives to reduce the photodegradation of polyvinyl chloride in harsh environments and for outdoor applications. This research investigates the use of new norfloxacin–tin complexes as additives to inhibit the photodegradation of polyvinyl chloride to make it last longer. Reactions between norfloxacin and substituted tin chlorides, in different molar ratios and in methanol under reflux conditions, gave the corresponding organotin complexes in high yields. The chemical structures of the synthesized complexes were established, and their effect on the photodegradation of polyvinyl chloride due to ultraviolet-visible irradiation was investigated. Norfloxacin–tin complexes were added to polyvinyl chloride at very low concentrations and homogenous thin films were made. The films were irradiated for a period of up to 300 h, and the damage that occurred was assessed using infrared spectroscopy, polymeric materials weight loss, depression in molecular weight, and surface inspection. The degree of photodegradation in the polymeric materials was much less in the blends containing norfloxacin–tin complexes compared to the case where no additives were used. The use of the additives leads to a reduction in photodegradation (e.g., a reduction in the formation of short-chain polymeric fragments, weight loss, average molecular weight depletion, and roughness factor) of irradiated polyvinyl chloride. The norfloxacin–tin complexes contain aromatic moieties (aryl and heterocycle), heteroatoms (nitrogen, oxygen, and fluorine), and an acidic center (tin atom). Therefore, they act as efficient photostabilizers by absorbing the ultraviolet radiation and scavenging hydrogen chloride, peroxides, and radical species, thereby slowing the photodegradation of polyvinyl chloride
VIRTUAL SCREENING OF FDA APPROVED DRUGS BY MOLECULAR DOCKING AND DYNAMICS SIMULATION TO RECOGNIZE POTENTIAL INHIBITORS AGAINST MYCOBACTERIUM TUBERCULOSIS ENOYL-ACYL CARRIER PROTEIN REDUCTASE ENZYME
Objective: This in-silico study is aimed at identification of new possible inhibitors against Mycobacterium tuberculosis InhA enzyme by screening a library of FDA approved drugs.
Methods: In this in-silico study, a library of FDA approved drugs was screened by molecular docking against the monomer of enoyl-acyl carrier protein reductase to recognize potential inhibitors. Then, those best drugs with minimum docking energy were subjected to molecular dynamics simulation.
Results: Out of the top ten docking hits, only revefenacin was able to maintain the closet proximity to InhA enzyme binding pocket during the two rounds of dynamics simulation. Analysis of molecular dynamics (MD) simulation data indicated that the antimuscarinic drug revefenacin has a ligand movement Root-Mean-Square Deviation (RMSD) that didn’t exceed 4 Angstrom. Also, in this MD study, revefenacin has a superior binding energy of -35.59 Kcal/ mol as compared to -13.88 Kcal/mol for the other hit ergotamine. These favorable MD simulation records for revefenacin can be explained by its ability to continuously interact with enzyme binding pocket by two hydrogen bonds.
Conclusion: We report that the antimuscarinic drug revefenacin may have the potential to inhibit the enoyl-acyl carrier protein reductase for Mycobacterium tuberculosis. However, these preliminary results must be further evaluated by in vitro and in vivo studies
LIGAND-BASED VIRTUAL SCREENING OF FDA APPROVED DRUGS TO IDENTIFY NEW INHIBITORS AGAINST LACTATE DEHYDROGENASE ENZYME OF MALARIA PARASITES
Objective: The aim of this study is to computationally repurpose FDA approved drugs as potential inhibitors of the Plasmodium falciparum lactate dehydrogenase (PfLDH) by competing with the cofactor NADH.
Methods: In this in-silico study, we have virtually screened a library of FDA approved drugs for structural similarity to the dihydronicotinamide adenine dinucleotide (NADH). Then, the top hits were further assessed for clinical safety and by application of molecular docking and dynamics simulation.
Results: Ligand-based virtual screening reports that the antibiotic Novobiocin has a good similarity to the cofactor NADH with a score of 0.7. Also, molecular docking study indicates that Novobiocin may has the ability to interact with PfLDH enzyme with a docking energy of -8.8 Kcal/ mol. However, during molecular dynamics (MD) simulation, the mean ligand proximity root mean square deviation (RMSD) and binding energy for Novobiocin were 4.3 Angstrom and -37.45 Kcal/ mol respectively. These MD simulation parameters are inferior to those recorded for NADH molecule during 50 nanoseconds interval.
Conclusion: The antibiotic Novobiocin may serve as a potential lead candidate toward the design of novel antimalarial agents. However, further evaluation of Novobiocin may be recommended to affirm its capacity against PfLDH enzyme
Unlocking Solar Potential: Advancements in Automated Solar Tracking Systems for Enhanced Energy Utilization
The use of solar tracking systems has become vital and has established itself as a vital element in the generation of solar energy by enhancing the collection efficiency. This paper seeks to understand the necessity of shifting from conventional energy sources and why issues like scarcity of fossil fuel, and pollution are some of the hurdles toward achieving sustainable energy. Solar power, in particular, is one of the lights at the end of this tunnel since it pioneers a shift towards the usage of clean energy in the world. The subject of interests of the study is on how tracking systems help in maximizing energy collection from solar systems by interchanging it with the movement of sun’s path. It discusses the method that was followed, which involves selecting component, designing circuit and developing software together with presenting empirical data that was obtained from a three-day, Twenty-four-hour experiment. Outcomes show that there is an improvement on voltage stability, the level of solar irradiation and temperature regulation when the system is applied as compared to static system and its applicability for the enhancement of the renewable energy harnessing methods by using the solar tracking technology. Finally, it outlines the future research directions to continue exploring the proposed methods and its wider impact on renewable energy generation