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 analy
... Show MoreAutism spectrum disorder (ASD) is a spectrum of behavioral anomalies
characterized by impairment in social interactions and communication deficits. A
potential role for immune dysfunction has been suggested in ASD. To test this
hypothesis, certain cytokines: IL-2, IL-10, IL-12, IL-17A and IFN-γ were
investigated in serum of all participants. The study includes: 39 child (male and
female) aged < 5 to10 years with confirmed diagnosis of autism using standard
assessment, age and gender matched 24 confirmed healthy children and 19 non
autistic siblings used as controls. Serum was isolated and cytokines were detected
using enzyme linked immunosorbent assay (ELISA). The observations indicate a
significant increas
The thermal stability of previously prepared tetraphenanthroporphyrazine (TPPH2) and its complexes with VO(IV) , Co(II) , Cu(II) , Zn(II) , Mg(II) , Ca (II) ions were studied by thermogravimetric analysis (TG & DTG) at temperature range (20-1000oC). The results indicated that these compounds have a high thermal stability comparable to those of phthalocyanine compounds (PC) and higher than those of hemiporphyrazine compounds (HP) . In general metal complexes were more stable than parent ligand . Data of magnetic susceptibility and electrical conductivity were also obtained as further support for the studied compoundes .
The importance of economic and technical feasibility studies include all of the investor, the society, the banks, the project and the government. As it will assist in achieving the optimal use of the available economic incomes on the national level and arranging the projects in priority which participates in achieving the government benefit without wasting the amounts .This is the research goal So, the research covered its theoretical aspect, of SAIs and the economic and technical feasibility studies then the role of the auditors in auditing those studies Then a mechanism was proposed includes a guidebook that provides guidelines for organizing the process of preparing and auditi
... Show MoreIt is shown that pure and 3% boron doped a-Si0.1Ge0.9:H and a-Si0.1Ge0.9:N thin films
could be prepared by flash evaporation processes. The hydrogenation and nitrogenation
are very successful in situ after depositing the films. The FT-IR analysis gave all the
known absorbing bonds of hydrogen and nitrogen with Si and Ge.
Our data showed a considerable effect of annealing temperature on the structural and
optical properties of the prepared films. The optical energy gap (Eopt.) of a-Si0.1Ge0.9
samples showed to have significant increase with annealing temperature (Ta) also the
refractive index and the real part of dielectric constant increases with Ta, however the
extinction coefficient and imaginary part of dielect
Using a reduction of TRIM simulation data, the sputtering yield behaviour of Zinc target bombard by heavy Xenon ions plasma is studied. The sputtering yield as a function of Zinc layer width, Xenon ion number, energy of ions, and the angle of ion incidence are calculated and illustrated graphically. The corresponding energy loss due to ionization, vacancies and phonons, are graphically shown and discussed. Further, we fit the calculations and expressions for fitted curves are presented with its coefficients.