The reaction paths of the C-C and C-H bond cleavage in the anthracene and phenanthrene aromatic molecules are studied by applying the ab-initio DFT method. It is found that the C-C bond cleavage proceeds via a singlet aromatic transition state, compelled through a disrotatoric ring opening reaction. A suprafacial H atom shift follows the transition state, leading to the formation of a methylene -CH2 and an acetylenic or allenic moiety. The calculated activation energies for anthracene range from 158.81-208.90 kcal/mol and the reaction energies from 96.106-156.976 kcal/mol. For phenanthrene, the energy values are 157.39-202.34 kcal/mol and 62.639-182.423 kcal/mol, respectively. For the C-H cleavage reactions, the calculated reaction energies for all C-H bonds in both molecules are almost similar, 116-117 kcal/mol. The activation energy values for anthracene and phenanthreneare 149.75-161.27 and 161.24-163.00 kcal/mol, respectively.
This research aims to predict the value of the maximum daily loss that the fixed-return securities portfolio may suffer in Qatar National Bank - Syria, and for this purpose data were collected for risk factors that affect the value of the portfolio represented by the time structure of interest rates in the United States of America over the extended period Between 2017 and 2018, in addition to data related to the composition of the bonds portfolio of Qatar National Bank of Syria in 2017, And then employing Monte Carlo simulation models to predict the maximum loss that may be exposed to this portfolio in the future. The results of the Monte Carlo simulation showed the possibility of decreasing the value at risk in the future due to the dec
... Show MoreThis study aims to assess the concentrations of some Poly Aromatic
Hydrocarbons in water, in order to monitor effectively and provide possible
recommendations to improve the water quality in the aquatic ecosystem of Tigris
River near Al-Dora refinery. Distribution and concentration of the sixteen polycyclic
aromatic hydrocarbons (PAHs) were studied in surface water. Solid-phase extraction
was used for water samples, and then analyzed by HPLC. Results showed that the
highest and the most dominant (PAH) was ancephthlnene (3-ring PAH), with
concentration of (40.33 ng/l), while the lowest concentration was for Indeno (1, 2, 3-
cd) pyrene (5-ring PAH), with (0.33 ng/l). The highest and the lowest mean
concentrations
The ground state densities of unstable proton-rich 9C, 12N and 23Al exotic nuclei are studied via the framework of the two-frequency shell model (TFSM) and the binary cluster model (BCM). In TFSM, the single particle harmonic oscillator wave functions are used with two different oscillator size parameters βc and βv, where the former is for the core (inner) orbits and the latter is for the valence (halo) orbits. In BCM, the internal densities of the clusters are described by single particle Gaussian wave functions. The long tail performance is clearly noticed in the calculated proton and matter density distributions of these nuclei. The structure of the valence proton in 9C and 12N is a pure (1p1/2) configuration while that for 23Al is
... Show MoreThe ground state densities of unstable neutron-rich 8He and 17B exotic nuclei are studied via the framework of the two-frequency shell model (TFSM) and the binary cluster model (BCM). In TFSM, the single particle harmonic oscillator wave functions are used with two different oscillator size parameters βc and βv where the former is for the core (inner) orbits and the latter is for the valence (halo) orbits. In BCM, the internal densities of the clusters are described by single particle Gaussian wave functions. Shell model calculations for the two valence neutrons in 8He and 17B are performed via the computer code OXBASH. The long tail performance is clearly noticed in the calculated neutron and matter density distributions of these nucl
... Show MoreIn the Name of God, the Most Gracious, the Most Merciful
Praise be to God, who taught the pen anthropology unless he knows, and peace and blessings be upon the master of bullying, and the imam of the eloquent Prophet Muhammad, the sincere and faithful, and his family and companions as a whole and whoever followed him to the Day of Judgment. And after:
The science of grammar is among the most important of all language sciences at all, if not the most important of its sciences, due to the multiplicity of its doctrines and schools, the diversity of its methods, its phenomena and subjects, as well as the connection of this science with the most honorable languages,
The H-Point Standard Addition Method (H-PSAM) has been applied for spectrophotometric simultaneous determination of Cimetidine and Erythromycin ethylsuccinate using Bromothymol Blue (BTB) as a chromogenic complexing agent in a buffer solution at pH 5.5.
The ligand [Potassium (E)-(4-(((2-((1-(3-aminophenyl) ethylidene) amino)-4-oxo-1,4- dihydropteridin-6-yl) methyl) amino)benzoyl)-L-glutamate] was prepared from the condensation reaction of folic acid with (3-aminoacetophenone) through Schiff reaction to give a new Schiff base ligand [H2L]. The ligand [H2L] was characterized by elemental analysis CHN, atomic absorption (A.A), (FT-I.R.), (U.V.-Vis), TLC, E.S. mass (for spectroscopes), molar conductance, and melting point. The new Schiff base ligand [H2L], reacts with Mn(II), Co(II), Ni(II), Cu(II), Cr(III) and Cd(II) metal ions and (2-aminophenol), (metal : derivative ligand : 2-aminophenol) to give a series of new mixed complexes in the general formula:- K3[M2(HL)(HA)2], (where M=Mn(II) and
... Show MoreAryl hydrocarbon receptor (AhR) is a ligand-activated transcription factor that regulates T cell function. The aim of this study was to investigate the effects of AhR ligands, 2,3,7,8-Tetrachlorodibenzo-p-dioxin (TCDD), and 6-Formylindolo[3,2-b]carbazole (FICZ), on gut-associated microbiota and T cell responses during delayed-type hypersensitivity (DTH) reaction induced by methylated bovine serum albumin (mBSA) in a mouse model. Mice with DTH showed significant changes in gut microbiota including an increased abundance of
This work deals with separation of the aromatic hydrocarbons benzene, toluene, and xylene (BTX) from reformate. The separation was examined using adsorption by molecular sieve zeolite 13X in a fixed bed process. The concentration of aromatic hydrocarbons in the influent and effluent streams was measured using gas chromatography. The effect of flow rate and bed length of adsorbent on the adsorption of multicomponent hydrocarbons and adsorption capacity of molecular sieve was studied. The tendency of aromatic hydrocarbons adsorption from reformate is in the order: benzene >toluene>xylenes.