Oxazinethione derivatives as a precursor to pyrazolone and pyrimidine derivatives: Synthesis, biological activities, molecular modeling, adme, and molecular dynamics studies

The authors thank Taif University Researchers, supporting project number TURSP-2020/91, Taif University, Taif, Saudi Arabia.In this study, we used oxazinethione as a perfect precursor to synthesize new pyrimidine and pyrazole derivatives with potent biological activities. Biological activities were determined for all compounds against A. flavus, E. coli, S. aureus, and F. moniliform. Compounds 3, 4a-b, and 5 exhibited higher activities toward A. flavus, E. coli, S. aureus, and F. moniliform; this was indicated through the MIC (minimum inhibitory concentration). At the same time, anticancer activities were determined through four cell lines, Ovcar-3, Hela, MCF-7, and LCC-MMk. The results obtained indicated that compound 5 was the most potent compound for both cell lines. Molecular docking was studied by the MOE (molecular operating environment). The in silico ADME of compounds 2 and 5 showed good pharmacokinetic properties. The present research strengthens the applicability of these compounds as encouraging anticancer and antibacterial drugs. Moreover, JAGUAR module MD simulations were carried out at about 100 ns. In addition, spectroscopic studies were carried out to establish the reactions of the synthesized structure derivatives. © 2021 by the authors. Licensee MDPI, Basel, Switzerland.Taif University Researchers: TURSP-2020/91 Taif Universit

ECONOMIC EVALUATION FOR IMPACT OF ENVIRONMENTAL FACTORS ON EGYPTIAN COTTON PRODUCTION

Cotton in Egypt has an important economic situation. Thus the study aimed to evaluate the expected economic effects and productivity of environmental factors on Egyptian cotton production. This comes by predicting production yield value and evaluating its return due to cultural and environmental desired and undesired variables. So, convenient production pattern could be determined to obtain maximum yield under these variables effect. The study clarified that expected cotton yield under desired environmental variables will be ranges between 4169-4336 thousand quintar, with an average equal 4253 thousand quintar. This production will realize national net income ranges between 429.37- 474.68 million L.E., with an average equal 452.03 million L. E. Meanwhile, the expected cotton yield under undesired environmental variables ranges between 3171- 3338 thousand quintar with an average equals 3255 thousand quintar. This yield will realize national net income ranges between 33.37- 78.60 million L. E. with an average equals 55.99 million L.E. The study also indicated that cotton crop is one of the extremely affected crops by the environmental and cultural variables extended in its production zones due its long life period. This is detected by its decrease in the production value undesired environmental factors, where this decrease ranges between 23.02% to 23.94% of th

Insight into the motion of ethylene glycol (fluid) conveying magnesium oxide and aluminium oxide nanoparticles with emphasis on “upper branch” and “lower branch” solutions

To address the limitations of nanofluids and combine the physical and chemical characteristics of nanoparticles in a meaningful way, researchers have been focusing on the usage of hybrid nanofluids. A rising number of studies have been conducted in the literature to explore the thermal performance of hybrid nanomaterials. In the current study, dual analysis is carried out to show the impact of theoretical correlations on the heat transfer capabilities of hybrid nanofluids. In this context, a mathematical model for a hybrid nanofluid is developed employing ethylene glycol as a base fluid, conveying magnesia and silver as nanoparticles on an inclined porous stretching/shrinking surface. The thermal transport aspects of a hybrid nanofluid are analyzed in terms of thermal radiation, Ohmic and viscous dissipation, and variable heat source/sink effects. The mathematical model is numerically solved using the bvp4c function in the MATLAB program. The outcomes of controlling factors on the fluid velocity, thermal distributions, as well as friction drag coefficient and heat transfer rate, are illustrated graphically. The findings show that due to remarkable thermal capabilities, the hybrid nanofluid is more effective at transferring heat than ordinary nanofluid. Additionally, the upshots show that the suction and magnetic parameter expands the shrinking range for which the dual solution lives

Osmotic pressure estimation using the Pitzer equation for forward osmosis modelling

Forward osmosis (FO) has received widespread recognition in the past decade due to its potential low energy production of water. This study presents a new model analysis for predicting the water flux in FO systems when inorganic-based draw solutions are used under variable experimental conditions for using a laboratory scale cross-flow single cell unit. The new model accounts for the adverse impact of concentration polarization (both ICP and ECP) incorporating the water activity by Pitzer to calculate the bulk osmotic pressures. Using the water activity provides a better correlation of experimental data than the classical van?t Hoff equation. The nonlinear model also gave a better estimate for the structural parameter factor (S) of the membrane in its solution. Furthermore, the temperature and concentration of both the draw and feed solutions played a significant role in increasing the water flux, which could be interpreted in terms of the mass transfer coefficient representing ECP; a factor sensitive to the hydraulics of the system. The model provides greatly improved correlations for the experimental water fluxes.Scopu

Synthesis and characterization of silver nanomaterial from aqueous extract of Commelina forskaolii and its potential antimicrobial activity against Gram negative pathogens

Aim: Green synthesis of silver nanoparticles from medicinal plants have been progressively acquiring attractiveness to the researchers due to its sustainable nature, nontoxic and economically beneficial. The present study was to synthesize silver nanoparticles (AgNPs) from aqueous extract of Commelina forskaolii Vahl and exhibit its potential antimicrobial and cytotoxic activity. Material and Methods: The whole plant of Commelina forskaolii was used to synthesize AgNPs. The synthesized AgNPs was then characterized by UV – visible spectroscopy, Fourier Transform Infrared Spectroscopy (FTIR), Scanning Electron Microscopy (SEM) and Transmission Electron Microscopy (TEM). The AgNps are widely tested for antibacterial, antifungal and cytotoxic property. Results: The phytochemical screening of the aqueous extract showed the presence of secondary metabolites such as alkaloids, flavonoids, tannins, phenols, saponins, steroids, glycosides and proteins. The UV – vis absorption spectrum exhibited key peaks at 425 nm. FTIR spectrum revealed that the biochemical compounds are responsible for the reduction and capping material of AgNPs. SEM analysis showed, the average size of synthesized AgNPs ranged from 18 to 27 nm. TEM micrographs revealed that the particle size was to be 30–40 nm. The AgNPs exhibited potential antimicrobial activity against bacterial species (Enterococcus fecalis, Pseudomonas aeruginosa) showed MIC at about 62.5 µg/ml and 125 µg/ml respectively and fungal species (Candida albicans and Aspergilus niger) 250 µg/ml and 31.2 µg/ml respectively. The synthesized AgNPs showed potential cytotoxic activity against human breast cancer cell line (MCF-7) with the IC50 value of 50.2 µg/ml. The present investigation concludes the effectiveness of confirmed AgNPs might be used in pharmacological field for the treatment of bacterial, fungal and breast cancer

Direct conversion of an agricultural solid waste to hydrocarbon gases via the pyrolysis technique

The increased awareness toward the global warming and the environmental pollution problems has stimulated the utilization of the alternative energy sources since they can positively take part in minimizing such problems. Among these sources, biomass based solid wastes is counted as one of the most promising in the field of energy production. Thus, the current research work focuses on the conversion of rice straw (a biomass-based solid waste) into hydrocarbon gases in general and methane (main constituent of natural gas) in particular. The reduction of the operational temperature and the elevated rate of solid-to-gas conversion are newly presented approaches in this research. Specifically, the used operating temperature, in this study, had been 250 °C while the well-known temperature range for slow pyrolysis is 380–550 °C. Another approach is represented in this work via the orientation of the obtained biogas to become mainly hydrocarbon gases instead of CO, CO2 and CH4 mixture, as the common for such pyrolysis processes. The attained high rate of solid-to-gas conversion (80%) while at low temperature is also a new approach of this study since such high rate is just possible in the flash pyrolysis (750–900 °C). The increased conversion rate was achieved via reducing the particles size of the used solid-biomass to a nano-sized range. Keywords: Environmental biomass pollutant, Slow pyrolysis, Bio-fuels, Green energy, Waste managemen