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Influence of the variation in the Hubbard parameter (<i>U</i>) on activation energies of CeO<sub>2</sub>-catalysed reactions
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Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO2) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO2-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetylene over the CeO2(111) surface. Overall, we find that both activation and reaction energies positively correlate with the increase in the U value. In addition to benchmarking against more accurate theoretical methodologies, we suggest that U values are better optimized against kinetics modelling of experimentally observed profiles of products from the catalytic-assisted system of reactions.

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Publication Date
Wed Feb 08 2023
Journal Name
Iraqi Journal Of Science
Groundwater Suitability for Agriculture using GIS Techniques in the Lower Part of Lesser Zab River Basin
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Suitability of groundwater for irrigation depends upon many constrains factors, these factors depend upon the dissolved salts during the flow of the recharge of the groundwater beside the aquifer constituents itself, from these factors (EC, SO4-2, Cl-, Na%, and SAR) .The spatial distribution of each constrain factor may show discrepancy from the another, so it is not possible to depend upon one factor. The aim of this work is to present a classification of the groundwater quality for agriculture including all the mentioned five factors, by using Arc GIS which provides tools to serve a purpose to create conceptual model for solving spatial problems. A set of conceptual steps used to build a model for suitability map of groundwater for irr

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Publication Date
Sun Jun 01 2014
Journal Name
Baghdad Science Journal
Study of growth curve and morphological change for Trichomonas vaginalis parasite in the tow culture media
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The objective of this study was shed light for cultivation and maintenance of Trichomonas vaginalis parasite growth after isolated it by vaginal swaps from females suffering vaginitis and abnormal vaginal discharges in these media CPLM and TAB media to detect growth curve, morphological changes and viability of parasite in the two culture media, together with effect of sheep and bovine serum on the growth of it. The results of this studies were showed there was abtaine differences between the two types of media , The maximum growth of parasite was in TAB medium after 72 hours incubation with use of bovine serum, while such growth was maximized after 144 hours incubation with the use of sheep serum. In CPLM medium, a maximum gro

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Publication Date
Tue Oct 30 2018
Journal Name
Journal Of Engineering
Evaluation of the Project Overhead Costs in Iraqi Construction Industry using Fuzzy Analytic Hierarchy Process (FAHP)
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This research investigated the importance and priorities of the project overhead costs in Iraq via a questionnaire using the fuzzy analytic hierarchy process technique (FAHP). Using this technique is very important in the uncertain circumstances as in our country. The researcher reached to frame an equation through the results of the priorities of weights include the percentages of each of the main items of the project overhead costs. The researcher tested this equation by applying it to one of the completed projects and the results showed suitability for the application. The percentages of the (salaries, grants, and incentives) and (fieldwork requirements) in equation represent approximately two-thirds of project overhe

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Publication Date
Wed Dec 12 2018
Journal Name
Iraqi National Journal Of Nursing Specialties
Evaluation of the Elderly's Environmental Practices Concerning Fall prevention at Governmental Elderly Homes in Baghdad City
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Objective :To evaluate elderly's environmental practices concerning fall prevention at governmental elderly care homes in Baghdad city. Methodology: A quazi- Experimental study was carried out in governmental elderly care homes at Baghdad city, during the period 1st, June 2014 to 30th November, 2014 , selected a purposive " Non – probability " sample of (40) elderly men and women aged (60) years old and over who were resident in governmental elderly care homes " Al Ceelakh and Al Sader elderly care homes", the data was collected through the use of constructed questionnaire that consist of (23) items,

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Publication Date
Sat Oct 01 2022
Journal Name
The Egyptian Journal Of Hospital Medicine
Metallothionein Protein Concentration in The Liver Tissue of Albino Mice Exposed to Cadmium and Zinc Chloride
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Background Cadmium (Cd), one of the most abundant heavy metals, is extremely toxic to both humans and animals. hIt is well known that zinc (Zn) administration reduces Cd-induced toxicity and that metallothioneins can have a protective effect in biological systems to mitigate Cd toxicity. Objective The aim of the current study to determine if Zn administration affected the induction of MT-1 and MT-2 in the liver tissue in mice exposed to Cd. Materials and methods Metallothionein protein (MT) level in the tissue of male mice were detected using the anion -exchang high-performance liquid chromatography coupled (HPLC)assay and immunohistochemical staining. Results Single treatment to zinc or cadmium increase the level of MT in the liver, but zi

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Publication Date
Sat Dec 30 2023
Journal Name
Iraqi Journal Of Science
Comparison Study for the Effect of Interleukin -6 and Carbimazole Drug in Rat Thyroid Gland Functions
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Since the inflammatory factor IL-6 known by its critical role in different metabolic reactions in the
body, therefore, this study was designed to detect it is effect in the thyroid gland function by
injecting three groups of rats, the first with IL-6 , the second with carbimazole (antithyroid drug) and
the third with normal saline (Control).The experiment included three groups of rat; each was injected
with recombinant human interleukin-6 (rhIL-6), Carbimazole, or normal saline (Control). The results
of experiments showed that both IL-6 and carbimazole caused a decrease in the levels of thyroid
hormones (T3 and T4) in animal sera, and a significant decrease in animal body weight, but had no
effect on the liver weight

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Publication Date
Tue Jan 14 2025
Journal Name
Modern Sport
relationship between explosive power and length accurately by the performance of weavy sending skill in volleyball
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Publication Date
Tue May 30 2023
Journal Name
Iraqi Journal Of Science
Petrography, Mineralogy and Diagenetic history of the Sarmord Formation (Valanginian-Aptian) in selected areas, Northeastern Iraq
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     This research studies the petrography, mineralogy and diagenetic history of the Sarmord Formation at Sulaimani and Erbil Governorates in Northeastern Iraq. The Sarmord Formation consists mainly of alternated yellowish to bluish gray bedded marly limestone with yellowish gray soft marl beds. Petrographic investigations of the marly limestones were based on 270 thin sections and show that the skeletal grains include bioclasts, foraminiferas, radiolarians, calcispheres, echinoderms, ostracods and cephalopods. The groundmass is composed of micrite with light brown to gray colors, rich in organic materials and iron oxides. The X-ray diffraction analysis of the marls revealed that the abundant clay minerals in the Sarmord Formation ar

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Publication Date
Wed Nov 17 2021
Journal Name
Periodicals Of Engineering And Natural Sciences (pen)
Pearson coefficient matrix for studying the correlation of community detection scores in multi-objective evolutionary algorithm
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Publication Date
Fri Dec 23 2022
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Sensitive Cloud Point Extraction Method for the Determination of Isoxsuprine Hydrochloride in Pharmaceutical forms using Spectrophotometry
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      A simple and highly sensitive cloud point extraction process was suggested for preconcentration of micrograms amount of isoxsuprine hydrochloride (ISX) in pure and pharmaceutical samples. After diazotization coupling of ISX with diazotized sulfadimidine in alkaline medium, the azo-dye product quantitatively extracted into the Triton X-114 rich phase, dissolved in ethanol and determined spectrophotometrically at 490 nm. The suggested reaction was studied with and without extraction and simple comparison between the batch and CPE methods was achieved. Analytical variables including concentrations of reagent, Triton X-114 and base, incubated temperature, and time were carefully studied. Under the selected optimum conditions,

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