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Computational modeling study on the physical properties of Pd doped BaTiO3 perovskite

This contribution investigates structural, electronic, and optical properties of cubic barium titanate (BaTiO3) perovskites using first-principles calculations of density functional theory (DFT). Generalized gradient approximations (GGA) alongside with PW91 functional have been implemented for the exchange–correlation potential. The obtained results display that BaTiO3 exhibits a band gap of 3.21 eV which agrees well with the previously experimental and theoretical literature. Interestingly, our results explore that when replacing Pd atom with Ba and Ti atoms at 0.125 content a clear decrease in the electronic band gap of 1.052 and 1.090 eV located within the visible range of electromagnetic wavelengths (EMW). Optical parameters such as absorption, reflectivity, the real and imaginary components of the dielectric function, Loss function, reflective index, extinction coefficient were calculated. Thus, the current findings reveal that Pd–BaTiO3 is a promising composition to be synthesised experimentally for various optoelectronic applications. The predicted negative formation energies values of the inspected structures are indicating to exothermic formation process of such materials and more interestingly indicating also to the stability and possibility of synthesizing such materials experimentally.

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Publication Date
Mon Jan 02 2006
Journal Name
Journal Of The Faculty Of Medicine Baghdad
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Publication Date
Wed Jan 01 2020
Journal Name
Euromediterranean Biomedical Journal
ESCHERICHIA COLI O157: H7 INVESTIGATION IN CHILDREN WITH DIARRHEA: AN IRAQI CROSS-SECTIONAL STUDY

NA Nasir, SHM Ali, HQMA AL-Ess, WA Hussein, MKW Al-Janabi, KIA Mohammed, JM Mosa, Euromediterranean Biomedical Journal, 2020

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Publication Date
Sat Jan 31 2015
Journal Name
International Journal Of Advanced Research
BK polyomavirus and Cytomegalovirus Co-infections in renal transplant recipients: a single center study

Background: Opportunistic viral infections make an important threat to renal transplantation recipients (RTRs), and with the use of more intense newly-developed immunosuppressive drugs; the risk of renal allograft loss due to reactivation of these viruses has increased considerably. At the top priority of these viruses lie BK polyomavirus (BKV) and human cytomegalovirus (CMV). Reactivation of these viruses in these chronically immunosuppressed RTRs can lead to renal impairment and subsequently allograft loss, unless early detected and properly treated. Objectives: The study aimed to detect and quantify plasma viral load of BKV and CMV in RTRs using quantitative real time PCR (qRT-PCR), in order to study the prevalence of these two viruses i

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Publication Date
Sun Jul 01 2018
Journal Name
International Journal Of Engineering & Technology
Influence of Percentage Replacement of Metakaolin on Different Concrete Types Exposed to Internal Sulphate Attack

This research presents an experimental investigation on the influence of metakaolin replacement percentage upon some properties of different concrete types. Three types of concrete were adopted (self- compacted concrete, high performance concrete and reactive powder concrete) all of high sulphate (SO3) percentage from the fine aggregate weight, 0.75%. Three percentages of metakaolin replacement were selected to be studied (5, 7 and 10) %. Three types of concrete properties (compressive, flexural and splitting tensile strength) were adopted to achieve better understanding for the influence of adding metakaolin.. The output results indicated that the percentage of metakaolin had a different level of positive effect on the compressive strength

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Publication Date
Wed Jul 11 2012
Journal Name
Euphrates Journal Of Agriculture Science
Effect of feeding diet containing flax seed on certain egg quality traits of Japanese quail

This experiment was performed to investigate the effect of dietary supplementation with flax seed on the egg quality of laying quail. A total of 320 Japanese quail (Coturnix coturnix japonica) wk old were allocated to 4 treatment groups with 4 replicates containing 20 quail each. Birds were fed a commercial diet containing 0% (C), 2% (T1), 4% (T2), or 6% (T3) flax seed. Birds received water and diet ad libitum during the total period of the experiment. Egg quality characteristics were monitored over 3 consecutive 21-day periods. Egg quality criteria involved in this experiment involved egg weight, yolk diameter, yolk height, yolk weight, albumen height, albumen weight, shell weight, shell thickness, Haugh unit, albumen percentage, yolk perc

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Publication Date
Mon Aug 22 2016
Journal Name
Journal Of Natural Sciences Research
Publication Date
Thu Nov 13 2014
Journal Name
The Iraqi Journal Of Agricultural Sciences
EFFECT OF SPRAYING SOME PLANT EXTRACTIONS AND ANTI-OXIDANT ON GROWTH AND YIELD OF SUNFLOWER

To investigate the effect of spraying some plant extraction and anti-oxidants on growth and yield of two cultivars of sunflower, a field experiment was conducted during fall season of 2009 and spring season of 2010 at the Experimental Farm, Department of Field Crop Science, College of Agriculture/ University of Baghdad. RCBD with three replications as factorial at two factors was used. First factor was cultivars Akmar and Shmoss, second was spraying with extraction of karkade at 25%, liquorices at 50%, vitamin C at concentration 1.5 mg.l-1 and nutrient which content 15 elements at concentration 15 % in addition to control treatment which sprayed with distilled water only. The result showed no significant differences between the two cultivar

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Publication Date
Thu Feb 10 2022
Journal Name
Iraqi Journal Of Science
Effect of Water Absorption on impact strength of synthetic fibers with Epoxy-unsaturated polyester blends

In this study a composite materials were prepared containing matrix of polymer blend (Epoxy (EP) 90% + unsaturated polyester (UPS) 10%), (Epoxy (EP) 80% + unsaturated polyester (UPS) 20%), reinforced with Kevlar (K) or, and iron woven (Fe) with one value of volume fraction (30) %. This composite are from: (EP 90%, UPE 10% +K), (EP 90%, UPE 10% +K+Fe), (EP 80%, UPE 20% +K), (EP 80%, UPE 20% +K+Fe). All samples were prepared using hand layup method and then impact test was done in both normal condition and after immersion in tap water for the same period time (eight weeks) also diffusion test was done for period's time (three months). The results showed that had been effected differently after immersion, but specimen (EP80%+UPS20%+K+Fe) ha

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Publication Date
Wed Jun 30 2021
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Effect of Temperature on Gas and Liquid Products Distribution in Thermal Cracking of Nigerian Bitumen

The increasing population growth resulting in the tremendous increase in consumption of fuels, energy, and petrochemical products and coupled with the depletion in conventional crude oil reserves and production make it imperative for Nigeria to explore her bitumen reserves so as to meet her energy and petrochemicals needs. Samples of Agbabu bitumen were subjected to thermal cracking in a tubular steel reactor operated at 10 bar pressure to investigate the effect of temperature on the cracking reaction. The gas produced was analyzed in a Gas Chromatograph while the liquid products were subjected to Gas Chromatography-Mass Spectrometry (GC-MS) analysis. Heptane was the dominant gas produced in bitumen cracking at all temperatures and the r

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Publication Date
Sun Dec 25 2022
Journal Name
International Journal Of Drug Delivery Technology
Effect of Zinc drug on amino acid concentration in liver of white mice, Mus musculus

Zinc is one of the essential trace elements, it plays a key role in many biochemical and functional processes. It is less harmful than many other minerals, in the case of exposure to high doses of zinc, poisoning occurs, and this poisoning may mostly result from the accidental ingestion of household products containing zinc or nutritional supplements, this study was conducted to find out the effects of zinc on the concentration of amino acid. A total of 30 adult white mouse males were taken and divided into three groups; the first group (control) of 10 mice taken with distilled water for 30 days, the second group includes 10 mice that were dose with Zn drug concentration of 50 mg/kg/day for 30 days, the third group includes 10 mice that wer

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