Comparison of binding energy of methane with calcium benzene dication complex ion [Ca(Benzene)2]2+ ON DFT and PEC in the gas phase
The UV photofragment spectrum of the dication sandwich complex Ca(Benzene)2]2+ had been recorded in the gas phase using a quadrupole ion trap mass spectrometer. From the DFT calculations, the optimised C2 and C2v conformers of Ca(Benzene)2]2+ were confirmed. Methane activation with calcium benzene dication complex ion resulted in the formation of methane calcium benzene dication complex ion [Ca(Benzene)2CH4]2+ and methane calcium benzene mono-cation [Ca(Benzene)CH4]+. The calculated charge on the metal centre was reduced by 40% in the optimised geometry of [Ca(Benzene)2CH4]2+ as compared to the charge of +2 assumed on Ca metal in the PEC calculation. The DFT calculated result reveal that the binding energy of methane to the metal dication complex ion was 13.28% lower compare to the value obtained on the PEC model.
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Comparitive study on ultrasonic property on polyaniline salts
Polyaniline salts were synthesized via chemical polymerization and are subjected to ultrasonic waves of 3 MHz. The physicochemical parameters like density, viscosity and compressibility parameters were measured and their effect on ultrasound has been extensively studied. Solvent properties and the spectroscopic properties such as ?max, frequency shifts have been correlated. A study of effect of ultrasonic waves on the organic acid doped PAni has also been attempted.
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Constituent budget and flushing model of a tropical fresh water lake: case study of Oguta lake, southeastern Nigeria
The water budget, constituent budget and flushing model of Oguta Lake were determined using Atomic Absorption Spectrophotometer (AAS), digital meters and standard equations. Results revealed that the total annual water inflow into the lake is about 29,461,800m3 while the total annual outflow is about 13,476,300m3 which implies a water storage of 16,185,500m3/year. The investigation further revealed that about 87.6% of the total water inflow into the lake comes from channel flow from Rivers Njaba, Utu and Awbana while about 70.2% of the water outflow is from channel outflow. Similarly, there seems to be continuous loading of constituents into the lake but at a very low rate; the low loading rate is actually attributed to the moderately high flushing rate of constituents in the lake. Total alkalinity has the highest loading rate (0.40 mgl-1/year) while phosphate has the lowest (0.003 mgl-1/year). The results also showed that the highest annual maximally flushed constituent in the lake is bicarbonate while the lowest is magnesium. The lake witnessed low influx of nutrients (phosphate, nitrate and dissolved silica) during the study period thus indicating low level of eutrophication. Excessive flushing rate can cause nutrient imbalance and this can alter the resource status and usefulness of the lake. In conclusion, the constituent budget and flushing model of the Oguta lake are therefore favorable for water supply , irrigation activities and fisheries development.
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Contribution of biology in kidney transplantation from a living donor in Morocco: A review article
The kidney transplant is above all a social project, based on a gift of generosity and solidarity. The specific activity of kidney transplantation from a living donor requires close collaboration between clinicians and biologists.Living-donor renal transplants are further characterized as genetically related (living-related) or non-related (living-unrelated) transplants, depending on whether a biological relationship exists between the donor and recipient.It’s the interest of this review with in the last part the path of the donor and the recipient for a possible kidney transplant with a donor living in the renal transplant department at the military hospital of Rabat.
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Corrosion inhibition effect of arial parts of euphorbia caducifolia for aluminium in HNO3
Corrosion is a natural process, which converts a refined metal to a more chemically-stable form, such as its oxide, hydroxide, or sulfide. The most common kinds of corrosion result from electrochemical reactions. It can be prevented if the metal is coated with something which does not allow moisture and oxygen to react with it. It can be controlled by either alloying or by anti rust solutions. The naturally occurring plant products are eco-friendly, compatible, nonpolluting, less toxic, easily available, biodegradable and economic to be used as corrosion inhibitor.Euphorbia caducifolia has been selected to study its corrosion inhibition efficiency. It is easily available in any season. It is native to Thar Desert of India and located on rocky terrain, hills. It is used for treatment of bleeding wound, cutaneous eruption, urinary problems, kidney stones, rheumatic pain, bronchitis, jaundice, diabities, stomach pain, hernia etc. It is also called “Thor” and “Danda-thor”. It contains caudicifolin) norcycloartane type triterpene, cyclocaducinol, triterpenes euphol, tirucallol and cycloartenol. Corrosion inhibition efficiency of arial parts of Euphorbia caducifolia was studied for aluminium in HNO3. Maximum inhibition efficiency was found 92.17% in 1N HNO3 acid with 0.8% leaf corrosion inhibitor whereas it was 90.53% for stem and 89.94% for flower with same concentration of inhibitor i.e. 0.8%. Inhibition efficiency was studied in different concentration of acid (1N, 1.5N, 2N and 2.5N) with different concentration of inhibitor (0.2%, 0.4%, 0.6% and 0.8%). Weight loss and thermometric methods were used. Inhibition efficiency was found to be increase with increase in concentration of inhibitor and decrease with increase in acid strength.
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Defect Induced Band Gap narrowing of Zinc Oxide Nanoparticles using Li+, Na+ and K+ metal ions as a dopant
This paper mainly explain the lowering of band gap energy of synthesized ZnO nanoparticles (3.263eV) than their bulk counterparts (3.37 eV), which indicate the high conductivity than the bulk ZnO powder. Zn1-xLixO, Zn1-xNaxO and Zn1-xKxO (where x= 0.005, 0.01, 0.015 and 0.02 M for all dopants) doped ZnO nanoparticles and their solution was then characterized by UV-vis spectrophotometer. All concentration of Li+ doped ZnO nanoparticles was more narrowing the band gap of the undoped ZnO nanoparticles than Na+ and K+ doped ZnO nanoparticles. Both the size and concentration of dopants were affecting the band gap energy of ZnO nanoparticles. As the concentration and ionic radii of the dopants increases the optical band gap energy was also increasing. So the highest band gap energy was obtained by 0.015 and 0.02M K+ doped ZnO nanoparticles.
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Design and implementation of testing tool for code smell rectification using C-Mean algorithm
A code smell is a hint or the description of a symptom that something has gone wrong somewhere in your code. These are commonly occurring patterns in source code that indicate poor programming practice or code decay. The presence of code smells can have a severe impact on the quality of a program, i.e. making system more complex, less understandable and cause maintainability problem. Herein, an automated tool have been developed that can rectify code smells present in the source code written in java, C# and C++ to support quality assurance of software. Also, it computes complexity, total memory utilized/wastage, maintainability index of software. In this research paper an approach used for the design and implementation of testing tool for code smell rectification is discussed and is validated on three different projects.
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Determination of heavy mental in groundwater resource across sapele local government area
The concentration of lead, nickel, magnesium, copper and chromium in ground water resources across sapele local government area were assessed in other to ascertain if their concentration show conformity to world health organization (WHO) stipulated standard. In this study, fifty ground water samples were collected randomly across the study area. The result obtained shows that nickel, chromium, copper ranges from 0.90 – 1.00, BDL – 0.06, 0.30 – 1.40, BDL – 0.15GML-1 respectively while lead was below detection limits. The result when matched with world health organization standard revealed that the water are portable.
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Effect of Gamma Ray on the Optical Properties of Tio2 and ZnO Thin Films
In this work, the zinc oxide (ZnO) and dioxide titanium (TiO?) thin film were prepared by using the method of spry pyrolsis chemical with different thickness on glass substrate at temperature of 60º C. Thees different thickness of the deposited films were measured by using mass approximations weighting different method. The thickness for Tio? films are (3.1, 0.24, 0.12)?m and for ZnO films (3.5, 4)?m. The samples coated have been irradiated by gamma ray to 21.5 kGy dose from Co-60 source. The optical properties such as the absorbance spectrum, transmittance, reflectance, and optical constant (absorption coefficient, extinction coefficient, refraction index and coefficient finesse with different thickness as function wave length of films but energy gap and urbach energy as function photon energy) were studied before and after irradiation dose. From experimental work show that the color of these films were changed after irradiated, at the result all optical properties spectra thin films changed with different thicknesses. The absorption, reflectance absorption coefficient, extinction coefficient, refractive index, coefficient finesse are increases after irradiation but the transmission, urbach energy and energy gap decreases after dose for all thicness of TiO2 films. Whereas absorption and absorption coefficient, extinction coefficient increases after irradiation for thiknsss of ZnO thin films but reflectance, transmission, refractive index, coefficient finesse urbach energy and energy gap decreases after dose for Zno. These effect of optical properties may be due to change of structure properties for Tio2, Zno thin films after irradiated.
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Effect of integrated nitrogen management on nutrient uptake, quality, economics and soil fertility of pearlmillet under rainfed conditions
Field experiments were conducted during kharif seasons of 2006 and 2007 to evaluate the effect of integrated nitrogen management nutrient uptake, quality, economics and soil fertility of pearlmillet under rainfed conditions. Applications of 50% RDN through FYM + 50% through urea, 80% RDN through vermicompost + 20% through urea and 25% RDN through FYM + 75% through urea were found the most superior and equally effective treatments in terms of total uptake of nitrogen, phosphorus and potassium, protein content in grain, grain yield, net returns and B:C ratio. Significantly, higher total uptake of nitrogen (66.73 kg/ha), phosphorus (14.48 kg/ha) and potassium (97.16 kg/ha), protein content in grain (11.83%), grain yield (2.22 t/ha) net returns ( 11169/ha) and B:C ratio (1.95) were recorded where 50% RDN through FYM + 50% through urea was applied. Whereas, application of 100% RDN through FYM was proved most superior treatment for improvement in post experiment soil fertility by increased soil organic carbon, N, P and K content
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