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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Tue Jul 18 2023
Journal Name
Research On Chemical Intermediates
Effectual and rapid synthesis of bis(pyrazolyl)methanes and pyrazolopyranopyrimidines catalyzed by nano-[TSPSED][Cl]2 and investigating their biological activity
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This investigation reports application of a mesoporous nanomaterial based on dicationic ionic liquid bonded to amorphous silica, namely nano-N,N,N′,N′-tetramethyl-N-(silican-propyl)-N′-sulfo-ethane-1,2-diaminium chloride (nano-[TSPSED][Cl]2), as an extremely effectual and recoverable catalyst for the generation of bis(pyrazolyl)methanes and pyrazolopyranopyrimidines in solvent-free conditions. In both synthetic protocols, the performance of this catalyst was very useful and general and presented attractive features including short reaction times with high yields, reasonable turnover frequency and turnover number values, easy workup, high performance under mild conditions, recoverability and reusability in 5 consecutive runs without lo

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Publication Date
Tue Dec 01 2015
Journal Name
Journal Of Engineering
Equilibrium and Thermodynamic Studies of Reactive Orange Dye Biosorption by Garden Grass
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The present study aims to evaluate the biosorption of reactive orange dye by using garden grass. Experiments were carried out in a batch reactor to obtain equilibrium and thermodynamic data. Experimental parameters affecting the biosorption process such as pH, shaking time, initial dye concentrations, and temperature were thoroughly examined. The optimum pH for removal was found to be 4. Fourier transform infrared spectroscopy analysis indicated that the electronegative groups on the surface of garden grass were the major groups responsible for the biosorption process. Four sorption isotherm models were employed to analyze the experimental data of which Temkin and Pyzhey model was found to be most suitable one. The maxim

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Publication Date
Sat Mar 18 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Preparation of Silver Nanoparticles by Sol - Gel Method and Study their Characteristics
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 Powder of silver nanoparticles was prepared by Sol - Gel method successfully using silver nitrate , (AgNO3) gesture is added to sodium citrate (C6H5O7Na3) as a reducing agent and by using  Magnetic Stirrer to mix the solutions and heated then using centrifuge machine to separate the silver nanoparticles from solution .It is then dried in an oven at a temperature 40oC for 24 hours.     Structure characteristics was studied , the synthetic silver powder was prepared through the use of an (XRD). Results showed the composition of silver nanoparticles is a (fcc) and a constant lattice (4.086 ± 0.006 Ã…) by comparing it with standard tables (JCPDS) which is found perfectly matched to file with a number 04-0783, which

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Publication Date
Wed Mar 16 2022
Journal Name
2022 Muthanna International Conference On Engineering Science And Technology (micest)
Fast Synthesis and Characterization of Nano-SSZ-13 Zeolite by Hydrothermal Method
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Publication Date
Sun Jan 01 2017
Journal Name
Al–bahith Al–a'alami
The Motivations of Using Facebook by Old People and their Achieved Need
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This research deals with the motives of the use of Facebook by elderly people and the achieved needs, which leads the researcher to ask an important question: why an old persons use Facebook and are the achieved needs through   which they got?  The research aims to find out the habits and patterns of using Facebook by old men and stands on the main motives of the elderly in their use of Facebook. It also identifies the most prominent needs that have been made for the elderly as a result of their use of Facebook.

The research is a descriptive one in which the researcher uses survey method to achieve the desired goals. The researcher has chosen a group of old men from Diyala province. The total sample number is about

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Publication Date
Wed Mar 29 2023
Journal Name
Journal Of The College Of Education For Women
Blindness and the Critique of Society: Dystopia in “Blindness” by José Saramago""
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This paper addresses the new coloring in the concept of dystopian society as represented by the positive role of one of the characters vs. the passive role of the government and its mutual effect on the people of the society. In addition, it describes how all men in the dystopian society victimize and degrade the other through unlawful acts, like: stealing, rape, and fear, which are the lowest points in a moral decay. However, it offers hope by illustrating a positive sense, as exemplified by the doctor's wife out of Saramago's optimistic view that men may be descended from good women. Accordingly, the paper aims to examine the effect of the government’s role in the lives of the people who have later turned into blind in a dystopi

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Publication Date
Wed Nov 02 2016
Journal Name
World Journal Of Pharmaceutical Research
HISTOGENESIS AND HISTOMORPHOMETRIC STUDY ON KIDNEY DISORDER BY LAMOTRIGINE IN POSTNATAL RAT
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Background: Lamotrigine is a second generation Anti-epileptic drug; it is widely used for the treatment of epilepsy and bipolar disorder. Sufficient data is not available concerning its teratogenicity. Aim of the study: The study has been carried out to evaluate the effect of lamotrigine on Rat kidney development. Materials and Methods: The study was conducted on 10 pregnant Albino Rats (Rattus rattus) divided equally into two groups, control and experiment groups. Experiment group received lamotrigne 10mg/kg/day orally using naso-gastric tube from the first day of gestation until the first week after birth, while the control group received distilled water. Newborn kidneys were collected at day 7 postnatal and fixated in bouin’s solution,

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Publication Date
Mon Mar 13 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Spectrophotometric Determination of Paracetamol by Diazotization and Coupling Reaction with Anthranilic Acid
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This paper concerned with development of a spectrophotometric method for the determination of paracetamol, based on the diazotisation and coupling reaction with anthranilic acid in basic medium, to form an intense yellow coloured, water-soluble and stable azo-dye which shows a maximum absorption at 421nm. Beer’s law is obeyed over the concentration range of 1.0-10 µg/ml; with molar absorptivity of 2.1772×104 L.mol -1.cm-1 and Sandell’s sensitivity index 6.9446 µg.cm-2. The method has been applied successfully for the determination of paracetamol in pharmaceutical formulation. 

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Publication Date
Wed Apr 12 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Fabrication and Characterization CdO:In/Si Photovoltaic Solar Cell Prepard By Thermal Evaporation
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   In this work, CdO:In/Si heterojunction solar cell has been made by vacuum evaporation of cadmium oxide doped with 1% of indium thin film onto glass and silicon substrates with rate deposition (3.9A/sec) and thickness(≈250nm). XRD was investigated, the transmission was determined in range (300-1100)nm and the direct band gap energy is 2.43 eV, I-V characterization of the cell under illumination was investigated , the cell shows an open circuit voltage (Voc) of 0.6 Volt, a short circuit current density (Jsc) of 12.8 mA/cm2, a fill factor (F.F) of 0.66, and a conversion efficiency (η) of 5.2%.

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Publication Date
Tue Jan 09 2018
Journal Name
World Rural Observations
Solid cartridges in Determination of Benzidines in River and Wastewater by HPLC
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A solid Phase Extraction (SPE) cartridges followed by HPLC-UV method is described for the simultaneous quantitative determination of benzidine (BZ) and its substituted 3, 3’-dichlorobenzidine (DCB) and 3, 3’-Dimethylbenzidine (DMB). The Benzidines were separated by liquid chromatography using a C-18 column with UV detector at wave length of 280nm. The mode of Flow was isocratic. The mobile phase was consisted of 75:25 methanol: water, column temperature 50C°, and Flow Rate 1.8ml/min. Calibration curves were linear (R2 = 0.9979-0.9995). LOD (26.36-33.67) µg/L, LOQ (109.98-186.11) µg/L, the Robustness (2.99-4.35), Ruggedness (2.93-3.65).Conditions of extraction by (SPE) cartridges were optimized, the resin used is Octadecyl silica (ODS

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