A set of ten drug compounds containing an amino group in the structure were determined theoretically. The parameters were entered into a model to forecast the optimal values of practical (log P) medicinal molecules. The drugs were evaluated theoretically using different types of calculations which are AM1, PM3, and Hartree Fock at the basis set (HF/STO-3G). The Physico-chemical data like (entropy, total energy, Gibbs Free Energy,…etc were computed and played an important role in the predictions of the practical lipophilicity values. Besides, Eigenvalues named HOMO and LUMO were determined. Linearity was shown when correlated between the experimental data with the evaluated physical properties. The statistical analysis was used to analyze the descriptors like multiple linear regression analysis performed to derive quantitative structure-activity relationship models which were further evaluated for the values of the prediction. The correlation coefficient gives an excellent relationship of more than (0.980, 0.980, and 0.978) for AM1, PM3, and HF/STO-3G respectively. A docking study was applied for the interaction of medicines with protein. All the drugs were connected with the protein to give the best energy stability for the docking mixtures. Nepafenac (compound No. 8) had the most stable energy with the protein compared with the 4-Aminosalicylic acid (compound No. 2) which had less energy stability.
The Islamic architectural heritage constitutes a civilized fortune that has to be preserved and protected and work should be done to maintain its development to be more convenient for the circumstances of the age and the civilization transformations. Due to the fact that architecture represents the civilization pot and cultural identity, its originality has to be preserved and work has to be done to prevent the strange architectural invasion that changes its character and make it lose the identity and the character and detached from its roots and environment.
Decoration, in the interior design, as a concept is connected to ornamentation process of interior spaces, which is a process of adding certain items
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This study aims to find the relationships between social capital (social network, social trust, shared goals) and knowledge sharing (knowledge Donating, knowledge collecting) as independent variables and their impact on improving the quality of educational services (academic staffs quality, Quality of teaching methods and study curriculums). This research is an important, because it attempts to identify the relationship between social capital and the knowledge sharing and their effect on improving the quality of educational service for universities. The study problem was determined in several questions related to the nature of the correlation relationship - the impact between the different independent variables (
... Show MoreType 2 diabetes mellitus (T2DM) is a potentially fatal metabolic disorder worldwide, in this COVID-19 era. Long-term allopathic treatment has a variety of side effects, prompting the search for alternative therapies. Oleuropein, the primary bioactive ingredient of Olive Leaf Extract (OLE), has shown noteworthy actions to control T2DM. The present study provides a dynamic study of % improvement in GLUT4 concentration with different doses of metformin (150mg-500mg) in combination with 500mg using a dynamic in silico model developed in Cell Designer 4.4.2, a system biology tool. The results indicated that 300mg of metformin and 500mg of oleuropein is the optimum combination to treat diabetes, ensuring a 2% improvement in G
... Show MorePure and doped barium titanate with Mg2+ ion at two molar ratios x= (5%, 10%) mol. has been synthesized by solid state reaction technique. The powders sintered at two temperatures (1000 °C and 1400 °C). An XRD technique was used in order to study the crystal structure of pure and doped barium titanate, which confirmed the formation of the tetragonal phase of BaTiO3, and then calculate the lattice parameters of pure and doped barium titanate, the addition of magnesium ion Mg2+ can lead to decreases lattice parameters.
The species of Cr (III), Cr (VI) in biological samples and V(IV), V(V) in foods & plants samples were determined by spectrophotometric methods. Integrated spectral studies of complexes [Cr (III, VI)-DPC], [Cr (VI)-bipy], [VO-SH], [V (V)-8-HQ] which included a study of the optimum conditions for the complexes formation by the investigation of the chemical and physical variables affecting each complex formation, the nature of complexes, the preparation of calibration curves of the complexes and treated the resulted data by modern statistical methods and study the interfering species. Interferences were removed to explain the reactions thermodynamically by determining Ecell, Keq. and ∆G values and includes a study of
... Show MorePure and doped barium titanate with Mg2+ ion at two molar ratios x= (5%, 10%) mol. has been synthesized by solid state reaction technique. The powders sintered at two temperatures (1000 °C and 1400 °C). An XRD technique was used in order to study the crystal structure of pure and doped barium titanate, which confirmed the formation of the tetragonal phase of BaTiO3, and then calculate the lattice parameters of pure and doped barium titanate, the addition of magnesium ion Mg2+ can lead to decreases lattice parameters.
An experiment was conducted to study how SAE 50 engine oil contaminated with diesel fuel affects engine performance. The engine oil was contaminated with diesel fuel at concentrations of 0%, 1%, and 3%. The following performance characteristics were studied: brake-specific fuel consumption, brake thermal efficiency, friction power, and exhaust gas temperature. Each treatment was tested three times. The three treatments (0%, 1%, and 3%) were analyzed statistically with a one-way ANOVA model at the 5% probability level to determine if the three treatments produced significant differences in engine performance. The statistical results showed that there were significant differences in engine performance metrics among the three treatments. The 3
... Show MoreThioacetamide (TAA) is a thiono-sulfur containing compound with a wide manufacturing application. Humans and animals exposure to TAA may occur in different ways and may cause nephrotoxicity. So, in this study serum creatinine concentration and urea, in addition to renal pathological changes, were examined in mice treated with TAA/P (100 mg/kg B.W). One hundred twenty male albino (BALB/c) mice were used. They were randomly divided into 2 main groups. In the control group 30 mice were fed water only and normal mice pellet.The other TAA-treated group of mice were divided into 3 subgroups as follow: 1st group (G1) was injectsed with TAA for 2 months (injected twice a month), while the 2nd(G2) and 3rd
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The aim of this research is to determine the most important and main factors that lead to Preeclampsia. It is also about finding suitable solutions to eradicate these factors and avoid them in order to prevent getting Preeclampsia. To achieve this, a case study sample of (40) patients from Medical City - Oncology Teaching Hospital was used to collect data by a questionnaire which contained (17) reasons to be investigated. The statistical package (SPSS) was used to compare the results of the data analysis through two methods (Radial Bases Function Network) and (Factorial Analysis). Important results were obtained, the two methods determined the same factors that could represent the direct reason which causes Preecla
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