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.
New complexes of M(II) with mixed ligand of 5-Chlorosalicylic acid (CSA) C7H5ClO3 as primary ligand and L- Valine (L-Val) C5H11NO2 as a secondary ligand were prepared and characterized by elemental analysis (C.H.N), UV., FT-IR, magnetic susceptibility, µeff (B.M) as well as the conductivity measurements (Λm ). In the complexes, the 5-chlorosalicylic acid is bidentate in all complexes coordinating through –OH- and –COO- groups; also L-Valine behaves as a bidentate ligand in all complexes through –NH2 and –COO- groups. These five mixed ligand complexes formulated as Na3[M(CSA)2(L-Val)]. The proposed molecular structure for all complexes is octahedral geometries. The synthesis complexes were tested in vitro for against four bacteria
... Show MoreNew complexes of M(II) with mixed ligand of 5-Chlorosalicylic acid (CSA) C7H5ClO3 as primary ligand and L- Valine (L-Val) C5H11NO2 as a secondary ligand were prepared and characterized by elemental analysis (C.H.N), UV., FT-IR, magnetic susceptibility, μeff (B.M) as well as the conductivity measurements (Λm ). In the complexes, the 5-chlorosalicylic acid is bidentate in all complexes coordinating through –OH- and –COO- groups; also L-Valine behaves as a bidentate ligand in all complexes through –NH2 and –COO- groups. These five mixed ligand complexes formulated as Na3[M(CSA)2(L-Val)]. The proposed molecular structure for all complexes is octahedral geometries. The synthesis complexes were tested in vitro for against four bacteria
... Show Morethe physical paraneters of oxadizole derivaties as donor molecules have been measured the charge transfer and methanol as solvent have been estimated from the electonic spectra
Maximum likelihood estimation method, uniformly minimum variance unbiased estimation method and minimum mean square error estimation, as classical estimation procedures, are frequently used for parameter estimation in statistics, which assuming the parameter is constant , while Bayes method assuming the parameter is random variable and hence the Bayes estimator is an estimator which minimize the Bayes risk for each value the random observable and for square error lose function the Bayes estimator is the posterior mean. It is well known that the Bayesian estimation is hardly used as a parameter estimation technique due to some difficulties to finding a prior distribution.
The interest of this paper is that
... Show MoreBackground: It is well known that mycotic antigens have an important
role in atopy and the induction of asthma. Now one of the important
subjects is the relation between respiratory bacterial and viral
infections in the inflammatory reactions accompanied with bronchial
asthma viruses Bacteria or their metabolites act as trigger for asthma
or increase it's intensity .
Objectives: To show the relation between asthma and some viral
infections serologically.
Methods: Direct ELISA test was employed to detect lgG specific for
Respiratory Syncytial virus (Rsv) parainfluenza virus type (p13) and
influenza virus in sera of (100) asthmatic patients of two age groups.
(10-17) and(18-50) years old. Serum samples from
Artificial Neural Networks (ANN) is one of the important statistical methods that are widely used in a range of applications in various fields, which simulates the work of the human brain in terms of receiving a signal, processing data in a human cell and sending to the next cell. It is a system consisting of a number of modules (layers) linked together (input, hidden, output). A comparison was made between three types of neural networks (Feed Forward Neural Network (FFNN), Back propagation network (BPL), Recurrent Neural Network (RNN). he study found that the lowest false prediction rate was for the recurrentt network architecture and using the Data on graduate students at the College of Administration and Economics, Univer
... Show MoreChemical pesticides have an impact on other living organisms in addition to their intended target organisms. Any chemical pesticide is therefore made safe for use by examining its biological characteristics and side effects. The present study was aimed at determining the resistance efficiency of six bacterial isolates obtained from malathion-contaminated soils. Bacteria were isolated from soil samples collected in Adhamiya, Baghdad, Iraq. Biochemical tests and VITEK 2 compact equipment were used to identify the bacterial isolates. Primary and secondary screening tests were conducted on the bacterial isolates for resistance against malathion pesticides. The optimal bacterial growth conditions were determined in malathion-contaminated media.
... Show MoreBreast cancer is the most repeatedly detected cancer category and the second reason cause of cancer-linked deaths among women worldwide. Tumor bio-indictor is a term utilized to describe possible indicators for carcinoma diagnosis, development and progression. The goal of this study is to evaluate part of some cytokines and biomarkers for both serum and saliva samples in breast cancer then estimate their potential value in the early diagnosis of breast cancer by doing more researches in saliva, and utilizing saliva instead of blood (serum and plasma) in sample collection from patients. Serum and salivary samples were taken from 72 patients with breast cancer and 45 healthy controls, in order to investigate the following
... Show MoreBACKGROUND: CRC is one of the most common cancers in the world. K-ras is proto-oncogene with GTPase activity that is lost when the gene is mutated. Analysis of K-ras mutational status is very important for CRC treatment, being the most important predictors of resistance to targeted therapy. OBJECTIVE: This study aims to determine the frequency and spectrum of K-ras mutation among Iraqi patients with sporadic CRC. PATIENTS, MATERIALS AND METHODS: This study enrolled 35 cases with sporadic CRC; their clinicopathological parameters were analyzed. The FFPE blocks were used for DNA extraction; PCR amplification of K-ras gene and hybridization of allele-specific oligoprobes were performed. The assay covers 29 mutations in the K-ras gene (codons 1
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