Density functional theory (DFT) calculations were used to evaluate the capability of Glutamine (Gln) and its derivative chemicals as inhibitors for the anti-corrosive behavior of iron. The current work is devoted to scrutinizing reactivity descriptors (both local and global) of Gln, two states of neutral and protonated. Also, the change of Gln upon the incorporation into dipeptides was investigated. Since the number of reaction centers has increased, an enhancement in dipeptides’ inhibitory effect was observed. Thus, the adsorption of small-scale peptides and glutamine amino acids on Fe surfaces (1 1 1) was performed, and characteristics such as adsorption energies and the configuration with the highest stability and lowest energy were ca

In this study, gold nanoparticles were synthesized in a single step biosynthetic method using aqueous leaves extract of thymus vulgaris L. It acts as a reducing and capping agent. The characterizations of nanoparticles were carried out using UV-Visible spectra, X-ray diffraction (XRD) and FTIR. The surface plasmon resonance of the as-prepared gold nanoparticles (GNPs) showed the surface plasmon resonance centered at 550[Formula: see text]nm. The XRD pattern showed that the strong four intense peaks indicated the crystalline nature and the face centered cubic structure of the gold nanoparticles. The average crystallite size of the AuNPs was 14.93[Formula: see text]nm. Field emission scanning electron microscope (FESEM) was used to s

Climate change is a severe problem due to the continuous dynamic changes in urbanization in cities, and reaching it requires high-resolution spatial data represented by using remote sensing technology, as the data of the Space Science Network of NASA was relied on to measure the change in the climate of Baghdad city for a period of four decades 1981-2021, using the climate change equation referred to in the research and then tabulating the data in Excel. The results showed evident changes in the climatic rates, especially during the fourth time cycle; the high rates of temperature and low rates of relative humidity and precipitation indicate that the city’s climate is heading towards drought, and similarities appeared between the rates

This paper presents a new numerical method for the solution of ordinary differential equations (ODE). The linear second-order equations considered herein are solved using operational matrices of Wang-Ball Polynomials. By the improvement of the operational matrix, the singularity of the ODE is removed, hence ensuring that a solution is obtained. In order to show the employability of the method, several problems were considered. The results indicate that the method is suitable to obtain accurate solutions.

Modified algae with nano copper oxide (CuO) were used as adsorption media to remove tetracycline (TEC) from aqueous solutions. Functional groups, morphology, structure, and percentages of surfactants before and after adsorption were characterised through Fourier-transform infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive spectroscopy (EDS). Several variables, including pH, connection time, dosage, initial concentrations, and temperature, were controlled to obtain the optimum condition. Thermodynamic studies, adsorption isotherm, and kinetics models were examined to describe and recognise the type of interactions involved. Resultantly, the best operation conditions were at pH 7, contact time

This paper predicts the resilient modulus (Mr) for warm mix asphalt (WMA) mixtures prepared using aspha-min. Various predictor variables were analyzed, including asphalt cement types, asphalt contents, nominal maximum aggregate sizes (NMAS), filler content, test temperatures, and loading times. Univariate and multivariate analyses were conducted to examine the behavior of each predictor variable individually and collectively. Through univariate analysis, it was observed that Mr exhibited an inverse trend with asphalt cement grade, NMAS, test temperature, and load duration. Although Mr increased slightly with higher filler and asphalt content, the magnitude of this increase was minimal. Multivariate analysis revealed that the rate of change