Density Functional Theory (DFT) method of the type (B3LYP) and a Gaussian basis set (6-311G) were applied for calculating the vibration frequencies and absorption intensities for normal coordinates (3N-6) at the equilibrium geometry of the Di and Tetra-rings layer (6, 0) zigzag single wall carbon nanotubes (SWCNTs) by using Gaussian-09 program. Both were found to have the same symmetry of D6d point group with C--C bond alternation in all tube rings (for axial bonds, which are the vertical C--Ca bonds in rings layer and for circumferential bonds C—Cc in the outer and mid rings bonds). Assignments of the modes of vibration IR active and inactive vibration frequencies (symmetric and asymmetric modes) based on the image modes applied by the Gaussian 09 display. The whole relations for the vibration modes were also done including nCH stretching, nC--C stretching, δCH, δring (δC--C--C) deformation in plane of the molecule) and gCH, gring (gC--C--C) deformation out of plane of the molecule. The assignment also included modes of puckering, breathing and clock-anticlockwise bending vibrations.
PM3 semiempirical method and Density Functional Theory (DFT) calculations of the type (B3LYP) and a Gaussian basis set (6-311G) were carried out for fullerene C60 molecule with its construction units (5radialene, 1,2,3-trimethylene indan, and corannulene), to evaluate the geometrical structure (bond lengths, symmetry, and energetic such as heat of formation ΔH0f, total energy Etot., dipole moment μ, EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), energy gap ΔEHOMO-LUMO), the distribution of electron density and vibration frequencies, all at their equilibrium geometries. Assignment of the vibrations modes was done according to the movement of the atoms as a result of DFT calculatio
... 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 MoreRadiotherapy is the branch of clinical medicine concerned with the application of ionizing radiation in the treatment of disease. And it is used to killing of cancer cells in a tissue using ionizing radiation while keeping the sparing of healthy cells at acceptable level. X-ray beams are used to deposit absorbed dose at depth within a patient at the site of the tumor. The aim of this work is studying the relationship between the depth dose and the field size in water phantom and homogenous actual planning. In our work, the dose distribution at different depths (zero-18 cm) deep at1cm interval treated with field size (10×10 and 20×20) cm2 were studied.
Results show that high similarity between water phantom and actual planning for th
Since the inflammatory factor IL-6 known by its critical role in different metabolic reactions in the
body, therefore, this study was designed to detect it is effect in the thyroid gland function by
injecting three groups of rats, the first with IL-6 , the second with carbimazole (antithyroid drug) and
the third with normal saline (Control).The experiment included three groups of rat; each was injected
with recombinant human interleukin-6 (rhIL-6), Carbimazole, or normal saline (Control). The results
of experiments showed that both IL-6 and carbimazole caused a decrease in the levels of thyroid
hormones (T3 and T4) in animal sera, and a significant decrease in animal body weight, but had no
effect on the liver weight
A series of benzohydrazide derivatives attached to coumarin moiety at position 6 and 7 have been synthesized. The reaction of coumarin derivatives (coumarin I and II) with p-nitrophenyl hydrazine yield Schiff bases (compound1a and IIa).These Schiff bases were refluxed with benzoyl chloride to give benzohydrazide derivatives of coumarin substituted at its 6 or 7 nucleus position (Ia1 and IIa1).The reaction and the purity of the products were checked by thin layer chromatography (TLC). The structures of the final compounds and their intermediates were confirmed by their melting points, infra red spectroscopy, and elemental microanalysis(CHN).
Compounds (Ia1 and IIa1) were evaluated for&n
... Show MoreAn experimental and theoretical study has been done to investigate the thermal performance of different types of air solar collectors, In this work air solar collector with a dimensions of (120 cm x90 cm x12 cm) , was tested under climate condition of Baghdad city with a (43° tilt angel) by using the absorber plate (1.45 mm thickness, 115 cm height x 84 cm width), which was manufactured from iron painted with a black matt.
The experimental test deals with five types of absorber:-
Conventional smooth flat plate absorber , Finned absorber , Corrugated absorber plate, Iron wire mesh on absorber And matrix of porous media on absorber .
The hourly and average efficiency of the collectors
... Show MoreCOVID-19 is a unique viral infectious illness that causes a variety of symptoms and health hazards, particularly to the respiratory system and has been declared a worldwide pandemic. The disease is characterized by a cytokine release in severe conditions. Interleukin-6 (IL-6), a proinflammatory cytokine, mediates an important immunomodulatory process. Also, vitamin D was identified to have a role in the innate immunity of individuals. Our study was designed to find the role of IL-6 and vitamin D in COVID-19 patients, as well as, to see whether there is a link between vitamin D deficiency and cytokine syndrome development. The study included 90 COVID-19 patients and 30 control people from Baghdad, Iraq. The age of the participants was non-s
... Show MoreBackground: Glucose-6 Phosphate Dehydrogenase (G6PD) Deficiency is one of the commonest inherited enzyme abnormalities in humans, caused by many mutations that reduce the stability of the enzyme and its level as red cells progress in age.
Objectives: To determine the useful hematologic indicators of hemolysis, observe an early detection of G6PD enzyme deficiency (if any), and the available therapeutic measures.
Patients and Methods: 123 patients with G6PD deficiency and hemolysis after exposure to fava beans whom visited AL-Elwiya Pediatric Teaching Hospital from the 1st of February 2016 till 31st of May 2016 were entered this study retrospectively. Hemolysis laboratory indicators were observed. Management supportive measures were
Background: Rheumatoid Arthritis (RA) is an autoimmune disease. Many etiological agents are proposed to play a role in its pathogenecity. One of these factors is cytokines such as Interleukin6.
Material & Methods: ELISA method has been used for IL-6 estimation in 75 RA patients in comparison with 61 SLE as patient controls and 39 apparently healthy controls.
Results: This study showed that there was an elevation of IL-6 in the sera of RA patients with high significant differences between RA patients and controls (P< 0.001). Moreover a good correlation between IL-6 level & RF titer were observed. However, for most patients with high IL-6 were shown to be HLA-DR4.
Conclusions: Interleukin-6 play
Background : It is quite accepted that interleukins (IL) in general play a crucial role in response to injuy , infection and on cogenic trans formation , among there are IL-6 and ILJO.
Aim of this study is to find out the possible role of IL_ and IL, 10 in colo rectaI carcima in Iraqi patients.
Subjects and Methods: forty patients with colorectal cancer (CRC) composed with 30 healthy controls were enrolled in this study. Serum conc. Of IL-6 and IL -lOwere estimated in both groups using ELIZA technique.
Results: Serem levels of IL-6 and IL-10 were significantly increased (P<0.001) in compassion with control group.
Conclusion: these cytokins could be used as a markers for tumor progression .