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

Global burden of 288 causes of death and life expectancy decomposition in 204 countries and territories and 811 subnational locations, 1990–2021: a systematic analysis for the Global Burden of Disease Study 2021

Background: Regular, detailed reporting on population health by underlying cause of death is fundamental for public health decision making. Cause-specific estimates of mortality and the subsequent effects on life expectancy worldwide are valuable metrics to gauge progress in reducing mortality rates. These estimates are particularly important following large-scale mortality spikes, such as the COVID-19 pandemic. When systematically analysed, mortality rates and life expectancy allow comparisons of the consequences of causes of death globally and over time, providing a nuanced understanding of the effect of these causes on global populations. Methods: The Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2021 cause-of-death analysis estimated mortality and years of life lost (YLLs) from 288 causes of death by age-sex-location-year in 204 countries and territories and 811 subnational locations for each year from 1990 until 2021. The analysis used 56 604 data sources, including data from vital registration and verbal autopsy as well as surveys, censuses, surveillance systems, and cancer registries, among others. As with previous GBD rounds, cause-specific death rates for most causes were estimated using the Cause of Death Ensemble model—a modelling tool developed for GBD to assess the out-of-sample predictive validity of different statistical models and covariate permutations and combine those results to produce cause-specific mortality estimates—with alternative strategies adapted to model causes with insufficient data, substantial changes in reporting over the study period, or unusual epidemiology. YLLs were computed as the product of the number of deaths for each cause-age-sex-location-year and the standard life expectancy at each age. As part of the modelling process, uncertainty intervals (UIs) were generated using the 2·5th and 97·5th percentiles from a 1000-draw distribution for each metric. We decomposed life expectancy by cause of death, location, and year to show cause-specific effects on life expectancy from 1990 to 2021. We also used the coefficient of variation and the fraction of population affected by 90% of deaths to highlight concentrations of mortality. Findings are reported in counts and age-standardised rates. Methodological improvements for cause-of-death estimates in GBD 2021 include the expansion of under-5-years age group to include four new age groups, enhanced methods to account for stochastic variation of sparse data, and the inclusion of COVID-19 and other pandemic-related mortality—which includes excess mortality associated with the pandemic, excluding COVID-19, lower respiratory infections, measles, malaria, and pertussis. For this analysis, 199 new country-years of vital registration cause-of-death data, 5 country-years of surveillance data, 21 country-years of verbal autopsy data, and 94 country-years of other data types were added to those used in previous GBD rounds. Findings: The leading causes of age-standardised deaths globally were the same in 2019 as they were in 1990; in descending order, these were, ischaemic heart disease, stroke, chronic obstructive pulmonary disease, and lower respiratory infections. In 2021, however, COVID-19 replaced stroke as the second-leading age-standardised cause of death, with 94·0 deaths (95% UI 89·2–100·0) per 100 000 population. The COVID-19 pandemic shifted the rankings of the leading five causes, lowering stroke to the third-leading and chronic obstructive pulmonary disease to the fourth-leading position. In 2021, the highest age-standardised death rates from COVID-19 occurred in sub-Saharan Africa (271·0 deaths [250·1–290·7] per 100 000 population) and Latin America and the Caribbean (195·4 deaths [182·1–211·4] per 100 000 population). The lowest age-standardised death rates from COVID-19 were in the high-income super-region (48·1 deaths [47·4–48·8] per 100 000 population) and southeast Asia, east Asia, and Oceania (23·2 deaths [16·3–37·2] per 100 000 population). Globally, life expectancy steadily improved between 1990 and 2019 for 18 of the 22 investigated causes. Decomposition of global and regional life expectancy showed the positive effect that reductions in deaths from enteric infections, lower respiratory infections, stroke, and neonatal deaths, among others have contributed to improved survival over the study period. However, a net reduction of 1·6 years occurred in global life expectancy between 2019 and 2021, primarily due to increased death rates from COVID-19 and other pandemic-related mortality. Life expectancy was highly variable between super-regions over the study period, with southeast Asia, east Asia, and Oceania gaining 8·3 years (6·7–9·9) overall, while having the smallest reduction in life expectancy due to COVID-19 (0·4 years). The largest reduction in life expectancy due to COVID-19 occurred in Latin America and the Caribbean (3·6 years). Additionally, 53 of the 288 causes of death were highly concentrated in locations with less than 50% of the global population as of 2021, and these causes of death became progressively more concentrated since 1990, when only 44 causes showed this pattern. The concentration phenomenon is discussed heuristically with respect to enteric and lower respiratory infections, malaria, HIV/AIDS, neonatal disorders, tuberculosis, and measles. Interpretation: Long-standing gains in life expectancy and reductions in many of the leading causes of death have been disrupted by the COVID-19 pandemic, the adverse effects of which were spread unevenly among populations. Despite the pandemic, there has been continued progress in combatting several notable causes of death, leading to improved global life expectancy over the study period. Each of the seven GBD super-regions showed an overall improvement from 1990 and 2021, obscuring the negative effect in the years of the pandemic. Additionally, our findings regarding regional variation in causes of death driving increases in life expectancy hold clear policy utility. Analyses of shifting mortality trends reveal that several causes, once widespread globally, are now increasingly concentrated geographically. These changes in mortality concentration, alongside further investigation of changing risks, interventions, and relevant policy, present an important opportunity to deepen our understanding of mortality-reduction strategies. Examining patterns in mortality concentration might reveal areas where successful public health interventions have been implemented. Translating these successes to locations where certain causes of death remain entrenched can inform policies that work to improve life expectancy for people everywhere. Funding: Bill & Melinda Gates Foundation

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