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.
The therapeutic value of the phenolic component and pure thymol was well known; this study comprised the extraction of crude phenol from two plants (Thymus vulgaris and Artemisia annua) which contain thymol with pure thymol and evaluate their effect on hematological and histological by using three different concentrations of each plant extract and pure thymol to tested them on lab mice. All the mice were allowed free access to water and feed for 21 days in laboratory conditions; orally, pure water was administered to the control mice (group I), while groups II, III, and IV were given orally with T. vulgaris, A. annua, combination of last two crude phenol plant extract 50:50 and pure thymol respectively. The levels of CHO, TRI, and HDL were
... Show MoreCytokines are polypeptides with several functions that are produced by a variety of bodily cells. They are clinically significant for illness diagnosis, treatment, and prevention. Interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α) are the most important cytokines for cell division and proliferation. Vascular endothelial growth factor (VEGF) is produced in excess in mesenchymal, epithelial, and especially in tumor cells. In this study the serum levels of IL-6, TNF-α and VEGF were detected for 41 colorectal cancer patients and 41 healthy control group at Nanakaly Hospital by comparing their serum concentrations for patients paining from colorectal carcinoma (CRC) with those of the control subjects. The result shows a s
... Show MoreA simple, accurate, and cost-efficient UV-Visible spectrophotometric method has been developed for the determination of naphazoline nitrate (NPZ) in pure and pharmaceutical formulations. The suggested method was based on the nucleophilic substitution reaction of NPZ with 1,2-naphthoquinone-4-sulfonate sodium salt in alkaline medium at 80°C to form an orange/red-colored product of maximum absorption (λmax) at 483 nm. The stoichiometry of the reaction was determined via Job's method and limiting logarithmic method, and the mechanism of the reaction was postulated. Under the optimal conditions of the reaction, Beerʼs law was obeyed within the concentration range 0.5–50 μg/mL, the molar absorptivity value (ε) was 5766.5 L × mol–1 × c
... Show MoreIn this research, the effect of each of the concentrations ( Nd+3) was studied (N) the thickness of the thin disk (d) the number of times that the pumping beam passes through the effective medium of this laser (Mp) the reflectivity of the laser output mirror (R 2) The losses of the effective medium (L) and the pumping power used in achieving the reverse qualification (PP) on each of the pumping threshold capacities (Pp.th) and the output power of the laser (Pout) and the efficiency (ŋ) in Nd3+ thin-disk lasers (TDLs) pumping quasi-three-level With continuous operation (cw), at room temperature, and in the Gaussian mode (TEM00),
We found under these opera
... Show MoreThis research deals with study of the Petrology and mineralogy of the Rus and Jil Formations at Najif and Al-Muthanna Governorates, Southern Iraq. The Rus Formation consists mainly of evaporites and subordinate carbonates. The evaporites are characterized by nodular structure (compound wispy, wispy, structureless and mosaic structures) with some laminated structure at the studied sections. Compound wispy to wispy structure are the dominant structures. The Jil Formation consists almost entirely of carbonate. The carbonate rocks are dolomitic limestone and dolomite beds, massive, fossiliferous, cavernous sometime friable and bioturbated in its lower part. The Jil Formation contains evaporites as thin beds, sometimes nodular and contains se
... Show MoreIn this study, the attention was focused on the protective role of seeds oil from local Onopordum acanthium L. (cotton thistle) against tissues damage in the liver, kidney and spleen in male albino rats. Forty adult male rats were randomly divided into four equal groups including control group, rats were treated orally with seeds oil (0.5ml/kg), carbon tetrachloride (CCL4) injected group, and last group was intoxicated with CCL4 and daily treated with seed oil (0.5ml/kg). After four weeks of the experiment, rats were anaesthetized and blood was taken directly by cardiac puncture for the evaluation of studied parameters. Samples of liver, kidneys and spleen were fixed in 10% formalin for histological studies
... Show MoreCompanies need to educate people about the facts that characterize the business. This is the mission of promotion, it is an important marketing activity, promotion communicates with others and seeks to provide customers with a new business process experience.
Advertising is the most important methods of promotion and the best way to reach an audience. Once the organization advertises its products and services, it can operate in a competitive environment. Marketing competition requires knowledge of humanity that must be affected and convinced. Advertising should create Desires and need for satisfaction. This research comes in the study of visual representations of this psychological incident and how to use it communicatively to create