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.
This experiment was carried out in the field of researches in Kalar Technical Institute / Field crop dept. The aim of the research is to study the effect of foliar sprays of different concentrations of Gibberellic acid on growth and some physiological characterizes in Carrot plant (local white cultivar). The experiment treatments included three concentrations of Gibberellic acid (0, 50 and 100 ppm) and were carried out as applicable agricultural project (3×4). And the results were recorded as follows: &n
... Show MoreDuring the period from September 2013 till the end of July 2014, a total of 340 birds Passer domesticus were collected . The study revealed in exam the sectional tissue of intestine in infected birds which showed a high effect compared with the uninfected birds . These effects were summarized by the destruction in most of intestinal villi and atrophy of others which appeared as webby filaments with each other and their cells have cubidal form  
... Show MoreElectrochemical corrosion of hydroxyapatite (HAP) coated performance depends on various parameters like applied potential, time, thickness and sintering temperature. Thus, the optimum parameters required for the development of stable HAP coatings was found by using electrophoretic deposition (EPD) technique. This study discusses the results obtained from open circuit potential-time measurements (OCP-time), potentiodynamic polarisation and immersion tests for all alloy samples done under varying experimental conditions, so that the optimum coating parameters can be established. The ageing studies of the coated samples were carried out by immersing them in Ringer’s solution for a period of 30 days indicates the importance of stable HAP c
... Show MoreThe present study aimed to evaluate the effect of lead exposure on hemopoetic system (through the index delta-Aminolevulinic acid dehydratase ?-ALAD activity & hemoglobin concentration (Hb) ) and on iron status (levels of iron Fe, Ferritin Fr, Total iron binding capacity TIBC, percentage of transferine saturation TF%) in 44 Iraqi worker at lead batteries factory. Workers divided into two groups: smokers(n=21) mean aged (37.33±4.82 year)and non smokers(n=23) mean aged(40.78±7.89 year) and 45 healthy subjects mean aged (33.97±5.08)as control group . Activity of ?-ALAD ratio shows significant decrease (p ? 0.05) ,while Hb and hematocrit Hct were non significant (p ? 0.05) in smoker workers more than non smoker as compared to control . The r
... Show MoreBackground: fixed orthodontic appliances deleterious influence on gingival health is well documented. Association between weight status and gingival health is presented in many studies. This study aimed to evaluate how early the impact of fixed orthodontic therapy on patients` gingival health, and if there are differences of that impact among different weight status groups. Materials and Methods: Sample consisted of 54 patients (25 males, 29 females; age limits are 16 -18 years) going under the course of treatment with fixed orthodontic appliance. Patients were categorized according to their Body Mass Index (BMI) into 3 weight status groups considering WHO charts in 2007 (underweight, normal weight, overweight and obese), then determinat
... Show MoreThe increase in the use of thyme in Iraq and neighboring countries, which may
be result in serious side effects necessitate the demand for testing different
concentrations of thyme extract (500,750,1000) mg/kg of body weight on rats to be
given either by injection or feeding grinded dried thyme leaves added to pellets
(50,100,150) g /kg of pellet in of different periods , (10,20,30) days for injection
and feeding 2 times weekly. Thyme extracts leaves effects on RBCs, WBCs and
Differential WBCs counts were measured. statistical analysis showed significance
increase difference (P≤0.05) in RBCs, WBCs and Lymphocyte, Nutrophile and
Monocyte counts and decrease in Eosinphil counts in rats treated with 1000 mg of
t
The current study was used 20 male rabbits that divided into four groups (consist of five rabbits in each group), The first group was considered as control and fed normal diet and given tap water, The second group was consisted of rabbits that fed on high cholesterol diet for six weeks, The third group was consisted of rabbits that fed on high cholesterol diet and 50mg root extract for six weeks, The forth group was consisted of rabbits that fed on high cholesterol diet and 100mg root extract for six weeks. The male rabbits that feeding on high cholesterol diet showed significant increased (P < 0.05) the levels of cholesterol, triglyceride, LDL, VLDL, MDA and HMG-CoA reductase while HDL and GSH levels were sig
... Show MoreLearn new methods of teaching mathematics contribute to raising the level of pupils to acquire mathematical concepts primary stage
Attempt advancement in the level of mathematics teaching for the better through the use of modern teaching strategies. The research aims at the progress in the acquisition of mathematical concepts schoolgirls after subjecting the fourth grade to teach in active learning strategies, the number of research sample (60) schoolgirl, by (30) schoolgirl experimental group and 30 pupils of the control group. Clear from the results shown the presence of a statistically significant difference between the acquisition of concepts of schoolgirls two groups (experimental and control) for the benefit of pupils of the exp
Nefopam (N.F.) HCl is a non-narcotic centrally-acting, non-opioid benzoxazocine analgesic to relieve acute and chronic pain. It exhibits low bioavailability (about 36%) due to its first-pass degradation in the liver.
Intranasal administration has been used as a new route for targeting active brain sites and enhancing the bioavailability of N.F. HCl bypassing hepatic metabolism.
In situ gel of N.F. HCl was prepared by the cold method using different concentrations of Poloxamer 407, Poloxamer 188, HPMC K4M, Carbapol 934, and Hyaluronic acid polymers.
The results show that identification tests are superimposed with references, solubility study shows that N.F. HCl is suitable to be administered intranasally; Compatibi
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