Within this work, to promote the efficiency of organic-based solar cells, a series of novel A-π-D type small molecules were scrutinised. The acceptors which we designed had a moiety of N, N-dimethylaniline as the donor and catechol moiety as the acceptor linked through various conjugated π-linkers. We performed DFT (B3LYP) as well as TD-DFT (CAM-B3LYP) computations using 6-31G (d,p) for scrutinising the impact of various π-linkers upon optoelectronic characteristics, stability, and rate of charge transport. In comparison with the reference molecule, various π-linkers led to a smaller HOMO–LUMO energy gap. Compared to the reference molecule, there was a considerable red shift in the molecules under study (A1–A4). Therefore, based on
... Show MoreDensity 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
... Show MoreBackground: Nephrotic syndrome is an immune mediated disorder of the kidney associated with T cell dysfunction and secondary disturbance of B cell with changes in levels of immunoglobulin.
Objectives: The objectives of this study were to compare immunoglobulin levels in children with nephrotic syndrome in relapse and healthy children, and to assess relationship between the degree of albuminuria and the mean concentrations of immunoglobulin.
Methods: We studied 60 children with nephrotic syndrome during January 2008 to January 2011 in the Pediatric Nephrology consultation clinic, Children Welfare Teaching Hospital –Baghdad Medical Complex –Iraq. Urine protein and blood samples were collected from the 60
Summary
Background: The role of humoral immunity in the pathogenesis of PET is well known so that an altered immune response could be the cause of this disease . Objectives: to evaluate the rule ofplacenta _ bound IgG in the pathogenesis of PET. Methods: 31 pregnant women were included in this study delivered by cesarean section at Baghdad Teaching Hospital , 16 of them were diagnosed and treated for PET. while the rest 15 cases were of normal women of using direct immunoflorescnt test, the level of IgG was detected.
Result: Tthe study showed a significant higher level of IgG in the placental biopsy of PET cases than those of control group using ttest, (P<0.025),
Conclusion: Trophoblastic bound IgG plays an important role in
The issue of the prisoners' rights and the way of dealing with them is not just a minor or
primary issue according to the contemporary attitudes to deal with criminals, but it is a fatal
issue that goes with the development of life and comprehension of human rights. As the
criminal is considered as a human-being who can be reformed and qualified, according to the
aims of the contemporary social service the prisoner is regarded as an idle human source who
can be reformed, treated and qualified so as to make him participate to improve his family and
society in the end.
This study aims at reconstructing the prisons bases when applying the laws of the lowest
level of treatment through the research of oppositions, atti
IR, MIR, UV – Visible spectra have been studied for Cobalt chloride molecule (CoCl2. 6H2O) compound, In wide range spectra (40000 – 410) cm-1 specially MIR range. Assignment were achieved for the fundamental vibrational bands of (CoCl2 . 6H2O ) to symmetry stretching ?1 (?^+) Anti – symmetry stretching ?3(?^+), these bands are non-degenerate , and the bending band is ?2(?) is doubly degenerate thought they have activity in IR and Raman , which explain the weakness in symmetry of this molecule, the fundamental bands for the molecule are centered at the following wave numbers (615, 685, 795, 1115, 1340, 1375, 1616.35, 2091, 2386, 2410, 3364) cm-1 which are corresponding to wave lengths (16260, 14598, 12578, 8968, 7462, 7272, 6186,
... Show MoreThis paper presents a sight about the chemical structure deformation of poly (ethylene-co-vinyl acetate) (EVA) samples according to the change ratio of rate constant values. Spectroscopy kinetics fluorescence curves are fitted for two characteristic wavelength domains of fluorescent intensities. The short wavelengths (320-400 nm) domain show spectra overlapping, while at long wavelengths (400-800 nm) domain spectra are arranged in regular for each specific accelerated aging time. The ratio of kinetics rate constant at long wavelengths to kinetics rate constant of short wavelengths is the criterion of the degree chemical structure deformation. Molar extrin
... Show More In this paper, we introduce new classes of sets called g *sD -sets , g *sD −α -sets , g *spreD − sets , g *sbD − -sets and g *sD −β -sets . Also, we study some of their properties and relations among them . Moreover, we use these sets to define and study some associative separation axioms .