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Quantum Mechanical Calculations of R-O Thermal Bond Rupture Energies in Some Ampicillin Prodrugs

PM3 and Unrestricted Hartree Fock (UHF) quantum mechanical methods are carried out for the estimation of reaction path for the breakage of (R-O) bond rupture energies, for twelve ampicillin ester prodrugs derivatives, at their calculated equilibrium geometries, in addition to some physical properties such as heat of formation, total energy, dipole moment and the energy difference of EHOMO and ELUMO (ΔEHOMO-LUMO) energy levels, using the Gaussian-03 program. Comparisons were done between the total energies of the reactants, products, activation energies and transition states. The results show non possible use of some substituted organic groups as a carrier linkage for acidic ampicillin drug, whereas others show possible use as a carrier linkage. Density functional theory (DFT) calculations at a B3LYP/6-311G level were carried out for assignment IR vibration frequencies of R-O bond and for some important modes, for all ampicillin derivatives, depending on the pictures of its modes obtained from calculated IR spectra.

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Publication Date
Thu Dec 28 2017
Journal Name
Al-khwarizmi Engineering Journal
Simulation Study of Mass Transfer Coefficient in Slurry Bubble Column Reactor Using Neural Network

 

The objective of this study was to develop neural network algorithm, (Multilayer Perceptron), based correlations for the prediction overall volumetric mass-transfer coefficient (kLa), in slurry bubble column for gas-liquid-solid systems. The Multilayer Perceptron is a novel technique based on the feature generation approach using back propagation neural network. Measurements of overall volumetric mass transfer coefficient were made with the air - Water, air - Glycerin and air - Alcohol systems as the liquid phase in bubble column of 0.15 m diameter. For operation with gas velocity in the range 0-20 cm/sec, the overall volumetric mass transfer coefficient was found to decrease w

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Publication Date
Thu Jan 04 2024
Journal Name
Journal Of Accounting And Financial Studies ( Jafs )
VALUE CHAIN ANALYZE OF DAIRY PRODUCTS IN IRAQ CASE STUDY: ABU GHRAIB DAIRY ( FACTORIES)

ABSTRACT
                  The research aims to analyze the value chain of dairy products in Iraq (Abu Ghraib/Study Case) factories for the year 2022, where value chain rings are identified to discuss and track the most important determinants and problems in the value chain rings of dairy products and their basic and secondary activities, as well as calculate the value added of the products by subtracting the total revenues of products from their variable costs. Research data were collected for the period 2022. Preliminary information and data from its field sources and personal interviews were collected through a questionnaire prepa

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Publication Date
Thu Jul 08 2021
Journal Name
Turkish Online Journal Of Qualitative Inquiry (tojqi)
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Publication Date
Mon Jan 02 2012
Journal Name
Journal Of The Faculty Of Medicine Baghdad
clinical prognostic factors after the first attack of early onset multiple sclerosis in iraq

Background: Paediatric-onset multiple sclerosis (MS) has been a focus of great interest in recent years. The prognostic factors in early onset of MS have been evaluated in few studies with various methodologic approaches, and the discussion about the existence of clinical courses different from that of adult-onset MS is still open.

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Publication Date
Thu Dec 29 2016
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Spectrophotometric Determination of Ketotifen Fumarate in Pure and Pharmaceutical Preperations by Bromophenol Blue Reagent

         A spectrophotometric reliable, rapid and sensitive method has been developed and validated for  the determination Ketotifen fumarate  . A method was described for the determination of Ketotifen Fumarate  in pure form or pharmaceutical formulations, a colored ion-pair complex formation reaction among ketotifen fumarate and acid-dye bromophenol blue at pH 3.0 was used for the colorimetric determination of the drug. The complex formed was extracted into chloroform and the maximum absorbance of the solution was measured at 413 nm against blank. The calibration curve calculated obey Beer's law over the concentration range of 0.4-16 μg/ml and the regression equation was A=0.069

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Publication Date
Sun Jul 31 2022
Journal Name
Iraqi Journal Of Science
Gentamicin Variably Affects amrZ and rhl gene Expression in Swarmer Cells of Pseudomonas aeruginosa

       Swarming is one of the most important virulence factors used by bacteria to invade new sites. This study aimed to test the effects of gentamicin on swarming motility of Pseudomonas aeruginosa, both phenotypically and molecularly. The present results revealed that 11/25 isolates had gentamicin MIC of 1024 µg/ml.  However, gentamicin at sub-minimal inhibitory concentration significantly (P< 0.05) reduced the diameter of swarming in all P. aeruginosa isolates. Noticeably the mean and median swarming diameter before treatment with gentamicin 5.557 and 5.816 cm respectively had significantly (P < 0.001) reduced to 0.871 and 0.766 cm respectively. At the molecular level, amrZ (a global regulator

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Publication Date
Tue Sep 25 2018
Journal Name
Iraqi Journal Of Science
Facies Analysis and Geological modeling of Euphrates Formation in Ajeel Oil Field, Northern Iraq

The current study summarized the construction of a three-dimensional geological model of the Aquitanian sediments age, which represented by the Euphrates and Serikagni formation in Ajeel Oil Field, where Ajeel Oil Field has structural closure towards northwest - southeast. Sedimentary of the current study consist of limestone, dolomitic limestone, dolomite (compose of skeletal grains, non-skeletal grains and cement) and the appearance of some anhydrite rocks.

     The petrographic study of the Euphrates Formation were prepared using a thin section of wells (Aj-1, Aj-4, Aj-5, Aj-6 and Aj-7), Previous studies and geological reports, as well as use well logs data  in the statistical analysis by Petrel softwa

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Publication Date
Fri Jan 26 2024
Journal Name
Iraqi Journal Of Science
Biological effects of Chitin synthesis inhibitor Applaud (buprofezin) on Culex quinquefasciatus in polluted water

The present study was carried out to evaluate the biological effects of chitin synthesis inhibitor, applaud (Buprofezin); on immature stages of mosquito, Culex quinquefasciatus. The study showed that the chitin synthesis inhibitor applaud caused biological effects represented in molting failure of larva to subsequent phase or to pupal stage, pupa to adults and mortality. The percentage of the effects differed depending on concentrations used; significantly increased with increasing of concentrations. Also the failure of molting significantly increased compared with mortality at low concentrations and inversely at high concentrations, due to lethal effect of buprofezin at high concentrations. The study of the accumulative death of the fir

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Publication Date
Thu Feb 01 2024
Journal Name
Journal Of Engineering
The Economic Evaluation of Various Production Scenarios for Zubair Reservoir in the Kifl Field

This work evaluates the economic feasibility of various production scenarios for the Zubair reservoir in the Kifl oil field using cash flow and net present value (NPV) calculations. The Kifl field is an exploratory field that has not yet been developed or assessed economically. The first well was drilled in 1960, and three other wells were later drilled to assess the oil accumulation, so in this research, Different production scenarios were evaluated economically. These scenarios were proposed based on the reservoir model of the Zubair formation in the field. The research methodology used QUE$TOR software to estimate capital expenditures (CapEx) and operating expenditures (OpEx) based on field-level data, production prof

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Publication Date
Mon Jul 01 2013
Journal Name
Journal Of The Faculty Of Medicine Baghdad
Clinical and Laboratory Profiles of 109 Patients diagnosed as Multiple Myeloma in Erbil City.

Background: Multiple myeloma is characterized by clonal expansion and accumulation of abnormal plasma cells in the bone marrow compartment. This study was conducted to determine the frequency and hematological presentation of multiple myeloma in Nanakaly Hospital in Erbil city.
patients and Methods: This descriptive retrospective study was carried out at Nanakaly Hospital over a period of six years from January 2007 to August 2012. A total of 109 patients who were diagnosed with multiple myeloma all were included to analyze the clinical and laboratory profiles. All patients were selected based on preset diagnostic criteria by the WHO.
Results: The study showed a male: female ratio of 1:1.1, the mean age of male patients was 57.8 ye

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