In this work semi–empirical method (PM3) calculations are carried out by (MOPAC) computational packages have been employed to calculate the molecular orbital's energies for some organic pollutants. The long– chain quaternary ammonium cations called Iraqi Clays (Bentonite – modified) are used to remove these organic pollutants from water, by adding a small cationic surfactant so as to result in floes which are agglomerates of organobentonite to remove organic pollutants. This calculation which suggests the best surface active material, can be used to modify the adsorption efficiency of aniline , phenol, phenol deriviatives, Tri methyl glycine, ester and pecticides , on Iraqi Clay (bentonite) by comparing the theoretical results with experimental results achived in previous experimental studies between some organic pollutants and modified bentonite by (1- Hexadecyl pyridinium bromide) (HDPYBr). The theoretical calculation is made by using three surface active materials [1- (Hexadecyl pyridinium bromide) (HDPYBr), (1,12- Dipyridiniododecane dibromide) (DPYDDBr2) and Hexadecyl trimethyl ammonium bromide (HDTMA)]. Using (HDTMA) leads to the best adsorption efficiency for most pollutants involved in this study. The enthalpy of formations, dipole and energy of molecular orbitale HOMO and LUMO energies levels are calculated for all pollutants and the three surface active materials.
Ten new thiourea derivatives 1-10 were prepared in this work using a two-step process that involved reacting 4-methoxybenzoyl chloride with KSCN to afford 4-methoxybenzoyl isothiocyanate. This was followed by reaction with various amines (primary amines, secondary amines, and diamines) to give the aforementioned title products 1-10. These products were characterized by FT-IR, 1H NMR and 13C NMR spectroscopy. Using the DPPH scavenging method, the antioxidant activity of thiourea products was investigated, and derivative 8 had the greatest antioxidant activity in comparison to the other derivatives. Moreover, molecular dockin
... Show MoreWellbore instability and sand production onset modeling are very affected by Sonic Shear Wave Time (SSW). In any field, SSW is not available for all wells due to the high cost of measuring. Many authors developed empirical correlations using information from selected worldwide fields for SSW prediction. Recently, researchers have used different Artificial Intelligence methods for estimating SSW. Three existing empirical correlations of Carroll, Freund, and Brocher are used to estimate SSW in this paper, while a fourth new empirical correlation is established. For comparing with the empirical correlation results, another study's Artificial Neural Network (ANN) was used. The same data t
... Show MoreIn this paper the modified trapezoidal rule is presented for solving Volterra linear Integral Equations (V.I.E) of the second kind and we noticed that this procedure is effective in solving the equations. Two examples are given with their comparison tables to answer the validity of the procedure.
There many methods for estimation of permeability. In this Paper, permeability has been estimated by two methods. The conventional and modified methods are used to calculate flow zone indicator (FZI). The hydraulic flow unit (HU) was identified by FZI technique. This technique is effective in predicting the permeability in un-cored intervals/wells. HU is related with FZI and rock quality index (RQI). All available cores from 7 wells (Su -4, Su -5, Su -7, Su -8, Su -9, Su -12, and Su -14) were used to be database for HU classification. The plot of probability cumulative of FZI is used. The plot of core-derived probability FZI for both modified and conventional method which indicates 4 Hu (A, B, C and D) for Nahr Umr forma
... Show MoreBreast cancer becomes a major threat to female health, many reports refer to a high incidence of breast cancer in Iraq; especially, in the last years. The micro RNA-370 molecules have not been reported in Iraqi cancer patients. Our objective in this study was to identify the expression of micro RNA-370 molecules in breast cancer patients as an early detection biomarker of breast tumors and detect its relation with clinicopathological characters of breast cancer patients. Fifty fresh tissue samples were collected from benign and malignant breast patients in addition to ten normal tissue samples collected as a control group, the age ranged was(19 - 77) years for patients. The miR-370 gene expression level was measured by the quantitative r
... Show Morepresent in the environment could constitute a hazard to food security and public health. These can be accumulated in aquatic animals such as fish.
Objective: In this study, selected heavy metals: Copper (Cu), Nickle (Ni), Chromium (Cr) and Iron (Fe) were evaluated in commercial canned fish products (Sardines) that are commonly consumed in Iraq. The canned fish (Sardine) which studied were Yacout Sardine (Morocco), Marina Sardine (Tunisia), Silver Sardine (Morocco) and Salsa Sardine (China).
Methods: Prospective study was done in Baghdad from January to June 2016 . 40 samples of four different foreign brands (10 samples for each brand were obtained): Yacout Sardine (Morocco), Marina Sardine(Tunisa), Silver Sardine (Morocco) and Sals
Some mechanical and thermal properties of mullite samples prepared by mixing different phases of alumina and silica powders have been studied according to ASTM methods the cold crushing strength of the sintcred bodies.With different porosity, at room temperature was in the range(18-54)Mpa
Collagen triple helix repeat containing-1 (CTHRC1) is an essential marker for Rheumatoid Arthritis (RA), but its relationship with pro-inflammatory, anti-inflammatory, and inflammatory markers has been scantily covered in extant literature. To evaluate the level of CTHRC1 protein in the sera of 100 RA patients and 25 control and compare levels of tumour necrosis factor alpha (TNF-α), interleukin 10 (IL-10), RA disease activity (DAS28), and inflammatory factors. Higher significant serum levels of CTHRC1 (29.367 ng/ml), TNF-α (63.488 pg/ml), and IL-10 (67.1 pg/ml) were found in patient sera as compared to that in control sera (CTHRC1 = 15.732 ng/ml, TNF-α = 33.788 pg/ml, and IL-10 = 25.122 pg/ml). There was no significant correlation be
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