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Topology Molecular Indices Relationship of Electronic Properties of N-Alkanes and Branched Alkanes

    Eight electronic properties; HUMO, LUMO, HOMO-LUMO energy gap, dipole moment point-charge, dipole moment hybrid, molecular weight, heat of formation and zero-point energy of 60 normal and branched alkanes were examined using topology molecular indices. All the electronic properties were calculated using semi-empirical self-consistent molecular orbital theory. The relationship of electronic calculation properties with seven models of topology indices based on degree and/or distance were obtained in terms of their correlation, regression and principal component analysis. Most of the properties were well-modelled (r2 > 0.82) by topology molecular indices except the dipole moment point-charge and hybrid. The PCA resulted in 7 properties and 60 structures of alkanes that produced two principal components with eigenvalues of greater than 1. The first principal component explained 60.388%, while the second principal component explained 26.457%, bringing a cumulative value of 86.845% to the data variation.

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Publication Date
Sun Jul 01 2018
Journal Name
Pakistan Journal Of Biotechnology
Correlation between BOD5 and COD for Al-Diwaniyah wastewater treatment plants to obtain biodegradability indices.

The present study aims to establish an empirical correlation between biochemical oxygen demand (BOD5) and chemical oxygen demand (COD) of the sewage flowing in Al-Diwaniyah wastewater treatment plant. The strength of the wastewater entering the plant varied from medium to high. High concentrations of BOD5 and COD in the effluent were obtained due to the poor performance of the plant. This was observed from the BOD5 /COD ratios that did not confirm with the typical ratios for the treated sewage. Regression equations for BOD5 and COD removal percentages were suggested which can be used to evaluate rapid effluent assessment after the treatment processes or optimal process control to improve the performance of wastewater treatment plants.

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Publication Date
Sun Dec 07 2008
Journal Name
Baghdad Science Journal
Synthesis and Copolymerization of several N-substituted acrylamides

Five N-substituted acrylamides were prepared by reaction of substituted aromatic primary amines with acryloyl chloride in the presence of triethyl amine. The synthesized acrylamides were allowed to introduce copolymerization reaction with three vinylic monomers including acrylonitrile, methyl acrylate and methyl methacrylate respectively to obtain eleven new copolymers having different physical properties which may used in different applications.

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Publication Date
Sun Dec 30 2001
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
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Publication Date
Mon May 04 2020
Journal Name
Biochemical And Cellular Archives
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Publication Date
Tue Jun 01 2021
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Genomics and Molecular Phylogenetics Tree Analysis of Actinopolyspora Iraqiensis

Actinopolyspora iraqiensis IQ-H1 is a novel strain of actinobacteria isolated from extremely halophilic soil samples in Iraq. The whole-genome sequence of this strain is deposited in the National Center for Biotechnology Information (NCBI) GenBank under the accession number NZ_AICW01000000. In this study, the genome features and the molecular phylogenetic tree of Act. iraqiensis IQ-H1are analyzed. The RAST tool was used for genome annotation. The genomic features were elucidated using QUAST tool. The circular genome map, and the core and pan-genome map of Act. iraqiensis IQ-H1 was generated using CGView and the GView tools respectively. The JSpeciesWS server was used for the tetranucleotide signature analysis a

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Publication Date
Sun Nov 25 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and study the Structural and electrical and mechanical properties of High Temperature Superconductor Tl0.5Pb0.5Ba2Can-1Cun-xNixO2n+3-δ Substituted with nickel oxide for n=3

   on this research is to study the effect of nickel oxide substitution on the pure phases superconductor Tl0.5Pb0.5Ba2Can-1Cun-xNixO2n+3-δ (n=3) where x=(0,0.2,0.4,0.6,0.8.and 1.0). The specimens in this work were prepared with used  procedure of solid state reaction with sintering temperature 8500C for 24 h .we used technical (4-prob)to calculated and the critical temperature Tc . The results of the XRD diffraction analysis showed that the structure for pure and doped phases was tetragonal with phases high-Tc phase (1223),(1212) and low-Tc phase (1202)  and add

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Publication Date
Thu Apr 28 2022
Journal Name
Iraqi Journal Of Science
Molecular and Bacteriological Detection of Some Bacterial Vaginosis Associate Bacteria in Women

Bacterial vaginosis (BV) is one of the most common genital infections among women in the childbearing age. Many novel, fastidious and uncultivated bacterial species are related with BV. These are called bacterial vaginosis associated bacteria (BVAB), present in trace amount and have a significant role in the infection. A total of 80 vaginal swabs were obtained from 80 pregnant and non-pregnant women. Samples were collected from different hospitals in Baghdad city and Al-Kut city.
Clinically, 60 sample among 80 were gave positive results depending on Nugent score and Amsel criteria ,the Bacteriologicall test showed the percentages of gram negative bacteria (E.coli ,K.pneumoniae, P.mirabilis, Ps.aeruginosaand A. baumanniiwere) were (38.

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Publication Date
Mon Jan 30 2023
Journal Name
Iraqi Journal Of Science
Food Chain Borne Effect of Cadmium and Cyanide on Some Biochemical Indices in the Liver of Rats

       Diverse organismsuch as mammals and fishes exposure to noxious waste in the surroundings is a continuous routine and the active absorption and propagation of contaminants in humans is through the food chain. In order to determine the level of toxicity across the food chain,this research was structured to identify some biochemical alterations in the hepatic tissue of rats fed cadmium, cyanide and a mixture of cyanide and cadmium contaminated catfish diet. Fish were assigned into four groups and were exposed to both toxicants (cadmium and cyanide) in the single and combined states. Each toxicant was administered as cadmium chloride (CdCl2) and potassium cyanide (KCN) on a dose of 0.4 mg of the toxicant/100 ml water

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Publication Date
Wed Mar 15 2023
Journal Name
Bionatura
Calculation of soil pollution indices with elements in residential areas of Baghdad city

Estimation of elements: Pb, Zn, Mn, Cd, and Cu, which were conducted seasonally from October-2021 till March-2022 in residential areas of Baghdad City using Geoaccumulation index (Igeo), enrichment factor ratios (EF), the factor of contamination (CF), contamination degree (Cd), index of pollution load (PLI) and index of potential ecological risk (Eif). The overall contamination factor in the research area is limited from low contamination with Cu, Mn, and Zn, moderately contaminated to very high contamination with Pb and Cd, while the assessment according to the I-geo index shows categories that vary from a slightly polluted to unpolluted by those examined heavy metals. The pollution load index indicates that the soils in some resi

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Publication Date
Sat May 27 2017
Journal Name
Journal Of Pharmaceutical Sciences And Research
Synthesis, Preliminary Antimicrobial Evaluation and Molecular Docking of new Schiff bases of Ceftizoxime

Schiff bases of Ceftizoxime sodium were synthesized in an attempt to improve the antimicrobial spectrum of Ceftizoxime. Aminothiazole ring of Ceftizoxime is linked directly through an imino group to different aromatic aldehydes reacted by nucleophilic addition using trimethylamine (TEA), as a catalyst and refluxed in methanol. The antimicrobial activity was evaluated for such Schiff bases using disc diffusion method. Molecular docking was conducted on certain penicillin-binding proteins (PBPs) and carboxypeptidases using 1- click docking software. Schiff bases of Ceftizoxime were prepared with reasonable yields and their chemical structures were confirmed by spectral analysis (FTIR, 1H-NMR) and elemental microanalysis (CHNS). The antibacter

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