Enol-Keto tautomerism in 1-[(E)-1,3-benzothiazol-2-ylazo]naphthalen-2-ol has been studied using the B3LYP functional of density functional theory (DFT) with 6-31G(d,p) basis set. Relative and absolute energies, transition state geometries (TS), dipole moments, entropies, enthalpies and Gibbs free energies, equilibrium constants (KT) and rate of tautomerization (kr) were calculated. Also, the computations of geometries and vibration frequencies for the tautomers were calculated and compared. The results of the calculations showed that the enol form is the most stable form than other isomers, this might be due to intra-hydrogen bonding. The TS1 activation energies for tautomer A ↔ B, tautomer A ↔ C and tautomer B ↔ C are 92.65, 199.56 and 225.71 kJ/mol respectively. The TS1 is lower than TS2 by 102 kJ/mol, showing that A ↔ B and B ↔ C paths are thermodynamic control and A ↔ C path is a kinetic control. The overall calculated KT ≈ 1, indicating that all tautomers present in significant proportions.
Background: Polycystic ovary syndrome (PCOS) is common heterogeneous disorder syndrome in females, characterized by chronic oligoovulation, polycystic ovary, and hyperandrogenism. This study aimed to the association of ferritin and transforming growth factor- β1 (TGF-β1) levels with insulin resistance, cardiovascular and type 2 diabetes risks. Patients and methods: (61) Iraqi women with PCOS patients diagnosed according to the Rotterdam criteria, were subdivided according to their Body Mass Index (BMI) to: (20) lean women with normal BMI: (18-24), (17) overweight women with BMI: (25-29) and (25) obese women with BMI >30. For the the purpose of comparison, (20) healthy Iraqi women were enrolled as controls ma
... Show MoreThis study aimed to find relationship between thymidine kinase-1 (TK-1) as tumor marker and total antioxidant capacity (TAC) in Iraqi children patients with thrombocytopenia and with thrombocytosis. The present study conducted 60 children patients (30 patients with idiopathic thrombocytopenia purpura (ITP) and 30 patients with thrombocytosis caused by leukemia) attending the Children Fever Hospital in the Medical City / Baghdad, and 30 healthy children as a control group. All study groups were with range ages (1-15) years, and they were diagnosed by assay of platelet count, Prothrombin Time (PT), and partial Thromboplastin Time (PTT). The results shown elevation in plasma TK-1
... Show MoreThe human resources are considered to be the main pillar of the organizations , economic development and the foundation of moving wheels of individual growth. This is considered as the basic tasks for any productive and economic activity . The investment of the human resources is the economic pillar of production , but the most important element of the production . This research tried to access the method of resource investment and to identify the problems and training as key element in establishment of E –government . A questionnaire document have been distributed to the workers at different levels in the colleges and institutes. The research concluded the necessity of job description , continuous training of the workers , usi
... Show MoreAbstract: non-alcoholic fatty liver disease (NAFLD) is one of the widespread chronic liver diseases; it is ranging from simple fat buildup in the liver (steatosis) to non-alcoholic steatohepatitis (NASH) presence of inflammation and hepatocyte injury. &nb
... Show MoreE-learning is a necessity imposed by the Corona pandemic, which has disrupted various educational institutions in the world, but some of these institutions have not been affected and education has continued with them, due to their flexible educational system that was able to employ technology in the continuity of the educational process in the so-called e-learning, because It has characteristics that make it the most suitable alternative to avoid the consequences of the Corona pandemic and its damage to the educational process, as e-learning is one of the modern methods that contribute to enhancing the effectiveness of the learner, and enabling him to assume greater responsibility compared to traditional education, so the learner becomes
... Show MoreIn this work, we calculate and analyze the photon emission from quark and anti-quark interaction during annihilation process using simple model depending on phenomenology of quantum chromodynamic theory (QCD). The parameters, which include the running strength coupling, temperature of the system and the critical temperature, carry information regarding photon emission and have a significant impact on the photons yield. The emission of photon from strange interaction with anti-strange is large sensitive to decreases or increases there running strength coupling. The photons emission increases with decreases running strength coupling and vice versa. We introduce the influence of critical temperature on the photon emission rate in o
... Show MoreNatural frequency under initial stresses for simply supported cross-ply composite laminated plates (E glass- fiber) are obtained using Refind theory (RPT). This theory accounts for parabolic distribution of the transverse shear strain through the plate thickness and satisfies the zero traction boundary conditions on the surfaces of the plate without using shear correction factors. The governing equations for Eigen value problem under initial stress are derived using Hamilton’s principle and solved using Navier solution for simply supported cross-ply symmetric and antisymmetric laminated plates. The effect of many design factors such as modulus ratio, thickness ratio and number of laminates on the Natural frequency and buckling stresses
... Show MoreIn this work, we calculate and analyze the photon emission from quark and anti-quark interaction during annihilation process using simple model depending on phenomenology of quantum chromodynamic theory (QCD). The parameters, which include the running strength coupling, temperature of the system and the critical temperature, carry information regarding photon emission and have a significant impact on the photons yield. The emission of photon from strange interaction with anti-strange is large sensitive to decreases or increases there running strength coupling. The photons emission increases with decreases running strength coupling and vice versa. We introduce the influence of critical temperature on the photon emission rate in order
... Show MoreThe nuclear matter density distributions, elastic electron scattering charge form
factors and root-mean square (rms) proton, charge, neutron and matter radii are
studied for neutron-rich 6,8He and 19C nuclei and proton-rich 8B and 17Ne nuclei. The
local scale transformation (LST) are used to improve the performance radial wave
function of harmonic-oscillator wave function in order to generate the long tail
behavior appeared in matter density distribution at high . A good agreement results
are obtained for aforementioned quantities in the used model.
In the present study, the physical characteristics of elastomer (EL) blend with natural polymers such as polyvinyl alcohol (PVA), Dexrin (D), Arabic gum (AG), and corn starch (CS) based on high-density fiberboard wood adhesives were investigated. The EL blends were prepared by dissolving AG, D, PVA, and CS in deionized water at 70 °C for 1 h under magnetic stirring continuously until the solution was clear, and blends were made with a weight of 60/40 (w/w); then were cast into a mold with a 20 cm diameter and left at room temperature for 24 h to ensure complete water removal and drying of the samples. The prepared EL and EL blend structures, adhesion strengths, roughness, wettings, and dielectric strengths, were investigated. The modifi
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