DFT (3-21G, 6-31G and 6-311G/ B3LYP) and Semi-empirical PM3 methods were applied for calculating the vibration frequencies and absorption intensities for normal coordinates (3N-6) of the Tri-rings layer (6,0) Zigzag single wall carbon nanotube (SWCNT) at their equilibrium geometries which was found to have D6h symmetry point group with C-C bond alternation in all tube rings.as well as mono ring layer. Assignments of the modes of vibration were done depending on the pictures of their modes applying by Gaussian 03 program. The whole relations for the vibration modes were also done including (CH stretching, CC stretching, deformation in plane of the molecule (δCH, δring and δCCC), deformation out of plane of the molecule (CH and

Semi-empirical methods were applied for calculating the vibration frequencies and IR absorption intensities for normal coordinates of the {mono (C₅₆H₂₈), di (C₈₄H₂₈), tri (C₁₁₂H₂₈) and tetra (C₁₄₀H₂₈)} -rings layer for (7,7) armchair single wall carbon nanotube at their equilibrium geometries which were all found to have D₇d symmetry point group.

Assignment of the modes of vibration (3N-6) was done depending on the pictures of their modes by applying (Gaussian 03) program. Comparison of the vibration frequencies of (mono, di, tri and tetra) rings layer which are active in IR, and inactive in Ramman spectra. For C-H stretching vibrat

Semi-empirical methods (MINDO/3, PM3) and Density Functional Theory calculations (DFT/ B3LYP/ 6-311G) were carried out to evaluate the vibration frequencies and Infra-Red (IR) absorption intensities for equilibrium geometries, of 6,7,8,10 and 12 cyclacene's molecules of different diameters for (SWCNTs). The Gaussian 03 and MOPAC computational packages have been employed throughout this study to compute the geometrical Parameters (bond lengths and bond angles) and the energetic properties, (vibration frequency, heat of formation and electronic charge distribution for the modeled 6,7,8,10 and 12 cyclacene's molecules of different diameters nanostructures (zig-zag). The results include the assignment of all puckering, breathing and clock-an

The character table or the table of eigen values for the D_7h point group, which is not found in the literature was constructed. The constructed table is used to classify all modes of the vibrational frequencies of the IR and Raman spectra for any compound or molecule that has the D_7h symmetry in the Point Group. For that, it was used for classifying all the modes of vibrational frequencies of the [7] cyclacene (linear) monitoring molecule, possessing D_7h symmetry. The constructed table was used to classify the symmetry species for the total degrees of freedom, total degrees of transition, total degrees of rotation and for the total degrees of modes of vibration (3N-6) for this tube. The character table wa

In this work, an important sugar alkynyl ether has been synthesized in two subsequent steps starting from commercially available D-galactose (3). This kind of compounds is highly significant in the synthesis of biologically active molecules such as 1,2,3-triazole and isoxazoles. In the first step, galactose (3) was reacted with acetone in the presence of anhydrous copper (II) sulfate to produce 1,2:3,4-di-O-isopropylidene-α-D-galactose (4) in good yield. The latter was reacted with excess of 3-bromoprop-1-yne in DMF in the presence of NaOH pellets to afford the target molecule 5 in a very good yield. The temperature of this step is crucial in determining the reaction yi

The relation between anemia and inflammatory immune response has lately had much attention. This research was conducted from October 2018 until April 2019, including  (110) children below 12 years from both gender in some Hospitals, Primary Health care centers, Public Primary Schools and Kindergarten in Baghdad, Iraq. The objective of this study is to determine the possible correlation between iron deficiency anemia and inflammatory immune response  among children infected with Entamoeba  histolytica or Giardia  lamblia. Blood samples were taken from all groups to measure  hemoglobin level, serum iron, total iron binding capacity (TIBC), mean corpuscular volume (MCV), and mean corpuscular  hemoglobin concentration

This research investigates new glasses which are best suitable for design of optical systems
working in the infrared region between 1.01 to 2.3μm. This work is extended to Oliva & Gennari
(1995,1998) research in which they found that the best known achromatic pairs are (BAF2-IRG2; SRF2-
IRG3; BAF2-IRG7; CAF2-IRGN6; BAF2-SF56A and BAF2-SF6). Schott will most probably stop the
production of these very little used and commercially uninteresting IRG glasses. In this work equally
good performances can be obtained by coupling BAF2, SRF2&CAF2 with standard glasses from Schott
or Ohara Company. The best new achromatic pairs found are (SRF2-S-TIH10; CAF2-S-LAL9; CAF2-SLAL13
and CAF2-S-BAH27). These new achromatic pai

Background: Researchers have found that interleukin 6 (IL-6) plays a crucial regulatory function in the onset and progression of a wide range of inflammatory disorders. One of the more prevalent inflammatory illnesses affecting people today is rheumatoid arthritis.

Aim of the study: The purpose of this study was to compare the IL-6 levels of rheumatoid arthritis (RA) patients to those of healthy controls and to examine the relationship between IL-6 and RA-related demographic and clinical factors.                                                                                                       

Background: obesity is an important cause of adverse health problems, including male infertility. Testosterone is essential for spermatogenesis and permits the release of mature sperms. In the absence of testosterone stimulation, spermatogenesis does not proceed beyond the meiosis stage. Aromatase expression is directly related to the degree of adiposity; it is dependent on cytokine stimulation and requires the presence of glucocorticoids, 17β-estradiol in the plasma of adult men is formed by aromatization convert testosterone and androstinedione to 17β-estradiol Apoptosis is an important process in the context of germ cells since they undergo both mitosis and meiosis, and this process is affected by

Density Functional Theory (DFT) calculation of the type (B3LYP) and 6-311G basis set level using Gaussian-03 program were carried out for equilibrium geometry of construction units of (6,0) linear ZigZag SWCNT (mono, Di, Tri and Tetra ring layers), to evaluate the geometrical structure (bond length), symmetries, physical properties and energetic such as standard heat of formation (ΔH0f), total energy (Etot.), dipole moment (μ), Highest Occupied Molecular Orbital Energy (EHOMO), Lowest Unoccupied Molecular Orbital Energy (ELUMO), energy gap (ΔEHOMO-LUMO), the distribution of electron density () and vibration frequencies, all at their equilibrium geometries. Assignment of the vibration frequencies according to the group theory was do