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ijp-386
Comparison study of CC and CH vibration frequencies and eelectronic properties for mono, Di, Tri, and tetra-rings layer of arm chair (SWCNTs)
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Semi-empirical methods were applied for calculating the vibration frequencies and IR absorption intensities for normal coordinates of the {mono (C56H28), di (C84H28), tri (C112H28) and tetra (C140H28)} -rings layer for (7,7) armchair single wall carbon nanotube at their equilibrium geometries which were all found to have D7d symmetry point group.

Assignment of the modes of vibration (3N-6) was done depending on the pictures of their modes by applying (Gaussian 03) program. Comparison of the vibration frequencies of (mono, di, tri and tetra) rings layer which are active in IR, and inactive in Ramman spectra. For C-H stretching vibrations, the results showed that vibration frequencies value increased with increased of length nano tube (rings layer SWCNT).

The results include the relation for axial bonds, which are the vertical C-C bonds (annular bonds) in the rings and for circumferential bonds which are the outer ring bonds. Also include the assignment of puckering, breathing and clock-anticlockwise bending vibrations. They allow a comparative view of the charge density at the carbon atom too.

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Publication Date
Thu Jul 20 2023
Journal Name
Baghdad Science Journal
Biosynthesis, Characterization, Adsorption and Antimicrobial studies of Vanadium Oxide Nanoparticles Using Punica Granatum Extract
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This study includes using green or biosynthesis-friendly technology, which is effective in terms of low cost and low time and energy to prepare V2O5NPs nanoparticles from vanadium sulfate VSO4.H2O using aqueous extract of Punica Granatum at a concentration of 0.1M and with a basic medium PH= 8-12. The V2O5NPs nanoparticles were diagnosed using several techniques, such as FT-IR, UV-visible with energy gap Eg = 3.734eV, and the X-Ray diffraction XRD was calculated using the Debye Scherrer equation. It was discovered to be 34.39nm, Scanning Electron Microscope (SEM), Transmission Electron Microscopy TEM. The size, structure, and composition of synthetic V2O5NPs were determined using the (EDX) pattern, Atomic force microscopy AFM. The a

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Publication Date
Thu Aug 01 2013
Journal Name
Biochemistry
Mechanistic Insights from the Binding of Substrate and Carbocation Intermediate Analogues to Aristolochene Synthase
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Publication Date
Tue Oct 01 2024
Journal Name
Journal Of Physics: Conference Series
A comparative Analytical Investigation of Different Geomagnetic Storms During Solar Cycles 23 and 24
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Abstract<p>In this work, the geomagnetic storms that occurred during solar cycles 23 and 24 were classified based on the value of the Disturbance Storm Time index (Dst), which was considered an indicator of the strength of geomagnetic conditions. The special criterion of Dst >-50 nT was adopted in the classification process of the geomagnetic storms based on the minimum daily value of the Dst-index. The number of geomagnetic storms that occurred during the study period was counted according to the adopted criteria, including moderate storms with (Dst >-50 nT), strong storms with (Dst >-100 nT), severe storms with (Dst >-200 nT), and great storms with (Dst >-350 nT). The statistica</p> ... Show More
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Publication Date
Wed Mar 18 2020
Journal Name
Baghdad Science Journal
New Versions of Liu-type Estimator in Weighted and non-weighted Mixed Regression Model
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This paper considers and proposes new estimators that depend on the sample and on prior information in the case that they either are equally or are not equally important in the model. The prior information is described as linear stochastic restrictions. We study the properties and the performances of these estimators compared to other common estimators using the mean squared error as a criterion for the goodness of fit. A numerical example and a simulation study are proposed to explain the performance of the estimators.

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Publication Date
Wed Jul 01 2020
Journal Name
Iop Conference Series: Materials Science And Engineering
Predicting the future growth depending on GIS and IDRISI program, city of Najaf-Iraq
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Abstract<p>This study aims to employ modern spatial simulation models to predict the future growth of Al-Najaf city for the year 2036 by studying the change in land use for the time period (1986-2016) because of its importance in shaping future policy for the planning process and decision-making process and ensuring a sustainable urban future, using Geographical information software programs and remote sensing (GIS, IDRISI Selva) as they are appropriate tools for exploring spatial temporal changes from the local level to the global scale. The application of the Markov chain model, which is a popular model that calculates the probability of future change based on the past, and the Cellular Automa</p> ... Show More
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Publication Date
Sat Mar 20 2021
Journal Name
Neuroquantology
Calculation of Radiation Nuclei Concentrations in Fertilized and Unfertilized Plants Samples Using Gamma Spectroscopy
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The aim of this work was to estimate the concentrations of natural and artificial nuclides in some fertilized and unfertilized plant samples. These samples were collected and prepared in a petri dish for the measurements using gamma spectroscopy. The average values of 238U, 232Th, 40K, and 137Cs for the unfertilized plant samples were (11.964 ± 3.226, 8.273 ± 2.639, 402.436 ± 18.099, and 2.761 ± 1.613) respectively, and for the fertilized plant samples were (30.434 ± 5.282, 22.584 ± 4.620, 711.332 ± 25.806, and 6.986 ± 2.542) respectively. The average values of radiological hazard indices, Raeq, D, D for 137Cs, (AEDE)in, (AEDE)out, Iγ, Hin, and Hout for the unfertilized plant samples were (54.782 ± 7.216, 27.306, 0.469, 0.

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Publication Date
Sun Jun 20 2021
Journal Name
Baghdad Science Journal
Immunological and Molecular Diagnosis of Cytomegalovirus Infection between Aborted & Pregnant Women in Babylon City
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Human cytomegalovirus (CMV) is the globally highly prevalent herpesvirus worldwide. CMV infects populations of all ages according to the Center for Disease Control and Prevention (CDC) and World Health Organization (WHO). CMV infections remain the most common viral complication potentially multiple in humans and are a major cause of congenital normality in women, which is why they are critical for diagnosis in several times when it happens during pregnancy. Pregnant women with CMV infection can be in charge of abortion or congenital expandaedby. This study involves the collection a total of (90) samples taken from each aborted and pregnant woman (70 with abortion cases and 20 of pregnant without history of abortion as control subjects) r

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Publication Date
Sun May 01 2022
Journal Name
Revue Française D'allergologie
Indoor house dust-borne fungi and risk of allergic respiratory diseases in Baghdad city
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Publication Date
Mon Jun 27 2022
Journal Name
. J Pharm Negative Results
Synthesis, Antioxidant, antibacterial and docking structure of new dihydro-pyrimidine derivatives containing multi phenol
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Newly series of 6,6’-((2-(Aryl)dihydropyrimidine-1,3(2H,4H)-diyl)bis(methylene))bis(2-methoxy phenol) (3a-i) were synthesized from cyclization of 6,6’-((propane-1,3-diylbis (azanediyl)) bis(methylene)) bis(2-methoxyphenol) with several aryl aldehyde in the presence of acetic acid. The newly compounds characterized from their IR, NMR and EIMs spectra. The antioxidant capacity of these compounds screened by utilizing DPPH and FRAP assays. Compounds 3g and 3i exhibited significant antioxidant capability in both assays. Docking study for these compounds as a potential inhibitors of gyrase enzyme were carried out. Compound 3g exhibited significant inhibition with binding free energies (DG) higher than novobiocin. compounds 2, 3a, 3b, 3

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Determination of Cefalexin by Direct (UV- Vis) Spectrophotometer and Indirect(Flame Atomic Absorption) Technique
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         A new method for the determination of the drug cefalexin in some Pharmaceuticals using (UV-Vis) and  indirect Flame Atomic Absorption Spectrophotometer (FAAS) , Fe III should forms a chelating complex with cefalexin (CEX –Fe III) at pH (1-8) and the best pH for the formation of (CEX –Fe III) chelating complex was (2) .The complex extracted with Methanol  and  Dimethy-Sulphoxide .The mole-ratio method has been used to determine the structure of chelate (CEX - Fe III) and found to be 2:1 LM ( Ligand : Metal.) .

Keywords : Cefalexin , chelating complex.

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