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 calculation using Gaussian program view. Comparison was done for the distribution of electron density with the expense of vibration frequencies and for the relationship of all the physical and electronic properties of fullerene C60 with its construction units.
Owing to their cost-effectiveness and the natural abundance of magnesium, magnesium-ion batteries (MIBs) were introduced as encouraging alternatives to Lithium-ion batteries. Following the successful synthesis of carbon nano-tube, its B and N doped derivatives which were doped with B and N enjoyed the attention of researchers as novel anode materials (AM) for MIBs. Here, we investigated a BC2N nano-tube (BC2NNT) as an encouraging AM for MIBs. To have a deeper understanding of the electrochemical properties, cycling stability, specific capacity (SC) and the adsorption behavior of this nano-tube, first-principles density functional theory computations were performed. By performing NMR calculations, we identified two types of non-aromatic hexa
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In this work, carbon-doped copper oxide thin films were deposited by the reactive DC sputtering method for use as selective absorbents. The properties of the DC discharge plasma were studied, using the emission spectrum, in the presence of pure argon and by mixing it with oxygen once and carbon dioxide again to know the effect of adding these gases on the properties of the resulting plasma used in the deposition of films. The structural properties of the deposited thin films prepared with different flow ratio of carbon dioxide gas were studied using x-ray diffraction. To examine the selective absorber coatings, the reflectance within the UV-Vis spectrum was measured to calculate the percentage of energy absorbed by solar radia
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The current research demonstrates the ERI method's effectiveness as a supplementary engineering site investigation approach. Engineering site research is important to indicate the subsoil of proposed production sites. The benefit of the dipole-dipole array for ERI electrical resistivity imaging is that it provides informative records of subsurface geology and condition along with profiles. The dipole-dipole array was performed along with three parallel profiles at the Diyala University site to identify the buried facilities (pipes and cables) in the area. The buried electric cable embedded in a plastic tube was used for simulation to report and verify the field resistivity results. Interpretation of field facts confirmed that
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Background: Bone defect healing is a multidimensional procedure with an overlapping timeline that involves the regeneration of bone tissue. Due to bone's ability to regenerate, the vast majority of bone abnormalities can be restored intuitively under the right physiological conditions. The goal of this study is to examine the immunohistochemistry of bone sialoprotein in order to determine the effect of local application of bone sialoprotein on the healing of a rat tibia generated bone defect. Materials and Methods: In this experiment, 48 albino male rats weighing 300-400 grams and aged 6-8 months will be employed under controlled temperature, drinking, and food consumption settings. The animals will be subjected to a surgical procedure o
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Objective(s): To assess the eating habits of adolescent females with iron deficient anemia.
Methodology: This study employed a quantitative research, descriptive evaluation design.The study was carried out on adolescent girls attending Kirkuk secondary school, period from 11 April to 27 December 2022. A non- probability (Purposive) sample has been applied to obtain the study goals. The study sample was (62) student who participate in the study.
Results: Pre-test results from the study revealed that 54.8% of students had moderate IDA. While the students' iron levels returned to normal in the posttest (53.2%). The majority of students (59.7%) had poor eatin
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In this paper, an intelligent tracking control system of both single- and double-axis Piezoelectric Micropositioner stage is designed using Genetic Algorithms (GAs) method for the optimal Proportional-Integral-Derivative (PID) controller tuning parameters. The (GA)-based PID control design approach is a methodology to tune a (PID) controller in an optimal control sense with respect to specified objective function. By using the (GA)-based PID control approach, the high-performance trajectory tracking responses of the Piezoelectric Micropositioner stage can be obtained. The (GA) code was built and the simulation results were obtained using MATLAB environment. The Piezoelectric Micropositioner simulation model with th
... Show MoreBackground: Papillary thyroid carcinoma (PTC) is the commonest thyroid cancer. Cases in category-
5a of Bethesda system (suspicious for papillary carcinoma) are treated by surgical lobectomy followed
by total thyroidectomy if histopathology confirms papillary carcinoma. In order to reduce surgical
procedures to one this was conducted.
Objectives: evaluation of role of immunohistochemistry in pre-operative diagnosis of papillary thyroid
carcinoma on cell blocks.
Materials and Method: Cell blocks were taken from cases labelled category-5a for histopathology and
immunohistochemistry using three markers (CK-19, Thyro-peroxidase, and BRAFv600E mutation).
Results: were highly sensitive, and specific. The use of more tha
Our research dealt with the issue of sustainable development related to the legal rules of the labor law in force to achieve the necessary protection for the rights of working women. The Iraqi labor law in force set several rules inspired by the texts of international conventions to protect working women at work. These rules were summarized in our research to the rules of protection from sexual harassment. At work, and the basis for obtaining decent work for women at work, Iraq was one of the countries organizing the Convention (CEDAW) that combats sexual harassment and gender discrimination, and which called for the importance of the presence of women in developing society and achieving the global goals of sustainable development. Devel
... Show MoreImproved oral bioavailability of lipophilic substances can be achieved using self-emulsifying drug delivery systems. However, because the properties of self-emulsifying are greatly influenced by surfactant amount and type, type of oil used, droplet size, charge, cosolvents, and physiological variables, the synthesis of self-emulsifying is highly complex; consequently, only a small number of excipient self-emulsifying formulations has been developed so far for clinical use. This study reports a highly effective procedure for developing self-emulsifying formulations using a novel approach based on the hydrophilic-lipophilic difference theory. Microemulsion characteristics, such as the constituents and amounts of oil and surfactant electrolyte
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