This study develops a systematic density functional theory alongside on-site Coulomb interaction correction (DFT + U) and ab initio atomistic thermodynamics approachs for ternary (or mixed transitional metal oxides), expressed in three reservoirs. As a case study, among notable multiple metal oxides, synthesized CoCu2O3 exhibits favourable properties towards applications in solar, thermal and catalytic processes. This progressive contribution applies DFT + U and atomistic thermodynamic approaches to examine the structure and relative stability of CoCu2O3 surfaces. Twenty-five surfaces along the [001], [010], [100], [011], [101], [110] and [111] low-Miller-indices, with varying surface-termination configurations were selected in this study. The results portray satisfactory geometrical parameters for bulk CoCu2O3, and a band gap of 1.25 e V. Furthermore, we clarified the stoichiometrically balanced inverted (010)CoCuO, and the non-stoichiometric (001)CuOCu, (001)CoOCo, (110)OCoO and (110)CoOCu surface terminations as the most stable configurations, out of which, the (001)CuOCu shows the optimum stability in ambient conditions. The systematic approach applied in this study should prove instrumental for the analysis of other 3-element multicomponent systems. To the best of our knowledge, the present study is the first to report DFT + U analysis to any 3-multicompnent systems with two of them requires inclusion of U treatment (i.e., f- and d- orbitals) in the electronic structure calculations.
Background: Humans skin, is the largest organ of the integumentary system, it has multiple layers of ectodermal tissue and guards the underlying muscles, bones, ligaments and internal organs. Pityriasis versicolor is the prototypical skin disease etiologically connected to Malassezia species. Malassezia furfur is the primary causative agent of pityriasis versicolor which causes either hyperpigmentation or hypopigmentation of the skin.
Objective: To identify of Malassezia furfur associated with pityriasis versicolor patients and healthy control by using molecular detection methods.
Material and Methods: Sixty patients suffering from pityriasis versicolor disease who attended Medical Imammaine Kadhmain City from beginning of 1st Dece
Background: Use of oral contraception has been associated with an increased abnormalities of lipid and carbohydrate metabolism as well as hemostatic variables at baseline (increased plasma levels of factor VII, factor X, fibrinogen and of D-dimers).
Objectives: To evaluate the effect of oral contraceptive pills (combined pills) on coagulation tests,prothrombin time (PT), activated partial thromboplastin time (APTT), and fibrinogen level.
Patients and methods: This is a descriptive cross sectional study which was conducted in fertility control clinic in Al-Batool Teaching Hospital for Maternity and Children in Baqubah city, during the period from December 2015 to October 2016. Eighty eight women were enrolled in this study according
Background: stress test (EST) is one of the main diagnostic and prognostic tests for ischemic heart disease. However, its usefulness depends on achieving target heart rate, then chronotropic incompetence and poor exercise capacity limits its utility. We evaluated the usefulness of atropine administration during the EST to decrease the number of tests with inconclusive results in these patients.
Patients &Methods: We carried out this study in Ibn AI-Bitar Teaching Hospital from September 2007 to December 2008 and comprised of 210 patients undergoing EST. In subjects experiencing fatigue when they achieved 50-75% of target heart rate (THR), or those who failed to achieve their THR, atropine was adm
Polycystic ovary syndrome (PCOS) is a heterogeneous disorder . PCOS affects 6–10% of women during their reproductive life. Patients with PCOS are in the high risk for coronary heart disease because of their abnormal lipid profile, insulin resistance and obesity. The present study aimed to shed a light on the contribution of sialic acid, paraoxonase and immunoglobulin G as a clinical indicator in the pathogenesis of PCOS. Seventy five female patients with age range (16-38) years taken from Al-Sadder Teaching Hospital and AlZahrawi Hospital in Governorate of Messan through the period from July 2013 to December 2013 and twenty five apparently health subject as a control group were
... Show MoreThis research deals with the poetic image of poets of the eighth century poetic, where they embodied the features of the religious life in which they live, and their impact on the Koranic text in the reflection of the image on their poems, where it becomes clear the ability of the poet at that stage to clarify the aesthetic components of the poetic text; Investigations, singled out the first topic: the analogy, and the second metaphorical picture, and the third: the picture.
The litholog of Nahr Umr Formation was evaluated using the Acoustic Impedance (AI), Vp/Vs ratio cross plot colored by petrophysical properties (Vsh, PHIT, PHIE, and Sw) in Am-6-Am-10 wells. Bulk density is an important physical property that reflects matrix density and fluid density that exist in rocks pores. It is used as the main parameters to estimate physical characteristics (porosity, water saturation, shale volume, and others). AI was calculated using RHOB and VP logs. Shear velocity was calculated using Greenberg Castagna equations used for estimating the Vp/Vs ratio and the result Showed that the Nahr Umr Formation is composed of two main lithological units. The upper unit (depth 3540m -3672m) is composed of limestone (li
... Show MoreThe research aims to achieve market share requirements and reach the targeted competitive price through the application of management accounting techniques represented by continuous improvement technique and target costing under an Activity Based Cost (ABC) system and Activity Based Management (ABM), In Muthanna Cement Company to reach the rationalization of the cost of the product and maintain the required quality and improve the profitability of the company.
The problem of research has emerged in the inability of local firms to enter into effective competition with other companies operating in the same economic sector, Because of the high cost of its products, Which led to the sale of the product at prices below its cost, and t
... Show MoreThe aim of the research is to indicate the degree of arrangement of the tax branches discussed and the level of efficiency of their performance according to the dimensions approved in the tax diagnostic tool (TADAT). The checklist has been approved as a main tool in collecting data and information from the tax branches of the General Authority for Taxes and the number (8) branches represented by (Karrada , Karakh Center, Al-Rusafa, New Baghdad, Al-Dora, Karakh Al-Tafim, Al-Kadhimiya, Al-Bayaa), The statistical program (spss) was used to calculate the weighted arithmetic media, and we reached the research to a number of conclusions, the most important of which were: - Each of the subsections (Karkh Al-Ahram and Karrada) achieved an
... Show MoreBackground: Different mechanisms have been suggested for the development of nonsteroidal antiinflammatory drugs (NSAIDs) induced gastropathy. Angiotensin converting enzyme inhibitors have been suggested to have gastroprotective effects. This study investigates the gastroprotective effects of Angiotensin converting enzyme inhibitors, captopril and enalapril on indomethacin induced gastric mucosal damage in rats .
Materials and methods: The study was conducted on 50 adult male albino rats, divided into 5 groups, the first served as a control received the vehicle , the second received indomethacin orally of 60mg/kg. The third and fourth groups were pretreated orally 30 minute prior indomethacin with either&n