Preferred Language
Articles
/
vBa7QYkBVTCNdQwCNIf2
Exploring the Potential of Quantum Chemical Calculations for Synthesized Quinazoline Derivatives as Superior Corrosion Inhibitors in Acidic Environment
...Show More Authors

Hydrochloric acid (HCl) is a substance that is frequently utilized in industrial operations for important tasks such as chemical cleaning and pickling metallic surfaces.Therefore, the corrosion inhibition ability of three newly synthesized quinazoline derivatives namely, 3-allyl-2-(propylthio) quinazolin-4(3H)-one) (APQ), (3-allyl-2-(allylthio) quinazolin-4(3H)-one) (AAQ), (3-allyl- 2-( Prop -2-yn -1-ylthio) Quinazolin - 4 (3H) - one) (AYQ) were theoretically determined and these compounds were characterized using Fourier Transform Infra-Red (FTIR) and 1H and 13C Nuclear Magnetic Resonance (NMR) spectroscopic. A series of quantum chemical properties of these derivatives: EHOMO, ELUMO, energy gap (ΔE),dipole moment (μ), hardness (η), softness (Ϭ), absolute electronegativity (χ), fractions for electron transferred (ΔN), the ionization potential (I), (TE) and total energy were calculated. The obtained results of all quinazoline derivatives (APQ,AAQ,andAYQ) show almost the same corrosion inhibition with excellent efficiency. Density function theory (DFT) was used to investigate the relationship between the molecular structures and inhibitory efficacies of three quinazoline derivatives. The results of the analysis and measurement of Egap values revealed that the compound AYQ had a modest Egap of 4.999 eV and that strong values of Egap suggest that it will be easier to remove one electron from the HOMO orbital and deposit it in the LUMO orbital

View Publication Preview PDF
Quick Preview PDF
Publication Date
Wed Apr 19 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Corrosion and Corrosion Inhibition of α-Brass by Thiourea
...Show More Authors

The corrosion behavior and corrosion inhibition of α-brass (65.3% Cu, 34.4% Zn and others 0.3%) in 0.6 mol.dm-3 NaCl solution have been investigated using potentiostatic polarization technique, the main results obtained were expressed in terms of corrosion (Ec) and corrosion current (ic). The research was performed in neutral and slightly acidic media [pH=7 and pH=4] over the temperature range (288-318)K. It was found that the rate of corrosion increases with the increase of acidity and the increase of temperature. The rate of corrosion increased with the increase of temperature in conformity with Arrhenius equation. Values of activation energy (Ea*), pre-exponential factor (A) and entropy of activation (∆S*) have been derived f

... Show More
View Publication Preview PDF
Publication Date
Tue Oct 30 2018
Journal Name
Iraqi Journal Of Physics
Synthesized copper nanoparticles by sonoelectrodeposition for gas filter applications
...Show More Authors

Copper nanoparticles (CuNPs) were prepared with different diameters by sonoelectrodeposition technique using Electrodeposition process coupled with high-power ultrasound horn (Sonoelectrodeposition). The particle diameter of the CuNPs was adjusted by varying CuSO4 solution acidity (pH) and current density. The morphology and structure of the CuNPs were examined by X-ray diffraction (XRD) and Scanning Electron Microscopy (SEM). It was found that the size of the produced copper nanoparticles ranged between 22 to 77 nm, where the diameter of CuNPs increases with reduction the solution acidity from 0.5 to 1.5 pH and increasing the current density of the deposition from 100 to 400 nm. Finally the produced CuNPs were pressed to fabricate disc

... Show More
View Publication Preview PDF
Crossref
Publication Date
Wed Feb 01 2023
Journal Name
Baghdad Science Journal
Potential Role of 8-Hydroxyguanosine and some Pro Inflammatory Cytokines as Biomarkers in Colorectal Cancer Iraqi Patients
...Show More Authors

8-hydroxyguanosine (8-OHdG) is considered as an indicator of the oxidative stress. Pro inflammatory cytokines are critical parts of the pathophysiological processes to which treatment can be applied. The aim of this study was to evaluate 8-OHdG and pro inflammatory cytokines concentration in colon carcinoma patients. Blood samples were taken before treatment from 50 incident cases with colon cancer (stage III) admitted for health examination at the Nanakali Hospital in Erbil city with 45 healthy samples of controls with age range between 38-69 years for both groups. All studied parameters were estimated by ELISA. Participants at this study were 95 Participants ranged in age from 38 to 69 years, 50 Participants had been newly diagnosed wi

... Show More
View Publication Preview PDF
Crossref (1)
Scopus Clarivate Crossref
Publication Date
Mon Nov 03 2014
Journal Name
Iraqi Journal Of Physics
STVI calculating the changes in vegetable cover for a vegetated environment in west Iraq
...Show More Authors

Publication Date
Mon Feb 18 2019
Journal Name
Iraqi Journal Of Physics
STVI calculating the changes in vegetable cover for a vegetated environment in west Iraq
...Show More Authors

Remote sensing provide the best means to monitoring change in vegetation over a wide range of temporal scales over large areas. In this study, the vegetation index which has been applied known as the Stress Related Vegetation Index (STVI) on in the area around the Euphrates River and part of Al-Habbaniyah lake which located at western side of the river in Ramadi city, Al-Anbar province at Iraq to study the vegetation cover changes and detect the areas of changes, using two satellite sensors multispectral images such as TM and ALI, after geometric correction procedure to rectifying these images. The STVI-4 index result was the best than other vegetation indices (STVI-1 and STVI-3) to discriminate the vegetable cover distribution. The diff

... Show More
View Publication Preview PDF
Crossref
Publication Date
Sun Jan 09 2022
Journal Name
Iraqi Journal Of Science
Calculations of the Quadrupole Moments for Some Nitrogen Isotopes in p and psd Shell Model Spaces Using Different Effective Charges
...Show More Authors

The electric quadrupole moments for some nitrogen isotopes (12,14,15,16,18N) are
studied by shell model calculations with the proton-neutron formalism. Theoretical
calculations performed using the different set of effective charges due to the core
polarization effect. The effective charges in the p-shell nuclei are found to be
slightly different from those in the sd-shell nuclei. Most of the results we have
obtained are underestimated with the measured data for the isotopes considered in
this work.

View Publication Preview PDF
Publication Date
Thu Apr 27 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Theoretical Calculations For Sputtering Yield of Nickel Surface Hitted By Xenon Plasma Ions
...Show More Authors

Extended calculations for sputtering yield through bombed Nickel – target by Xenon ions plasma are accomplished. The calculations include changing the input parameters: the energy of xenon ions plasma, the hit target angle of nickel target, thickness of the nickel target layer, and the slight change in the surface binding energy of Nickel. The program TRIM is used to accomplish these calculations. The results show that the sputtering yields directly dependent on these parameters. The change in angles of incidence plasma ions and energy leads to a significant change in the sputtering yields. On the other hand, the sputtering yields ore highly affected by changing target width and surface binding energy at fixed ion parameters.

... Show More
View Publication Preview PDF
Publication Date
Sun Mar 02 2008
Journal Name
Baghdad Science Journal
Calculations of Signal to Noise Ratio (SNR) for Free Space Optical Communication Systems
...Show More Authors

In this paper, we calculate and measure the SNR theoretically and experimental for digital full duplex optical communication systems for different ranges in free space, the system consists of transmitter and receiver in each side. The semiconductor laser (pointer) was used as a carrier wave in free space with the specification is 5mW power and 650nm wavelength. The type of optical detector was used a PIN with area 1mm2 and responsively 0.4A/W for this wavelength. The results show a high quality optical communication system for different range from (300-1300)m with different bit rat (60-140)kbit/sec is achieved with best values of the signal to noise ratio (SNR).

View Publication Preview PDF
Crossref
Publication Date
Tue Apr 24 2018
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Use of Acidic Hydrolysis and Diazo Coupling Reaction for Spectrophotometric Determination of Furosemide in Urine and Pharmaceutical Formulation.
...Show More Authors

     Simple and rapid spectrophotometric determination of furosemide (FUR) has been investigated .The method is based on acid hydrolysis of FUR to free primary aromatic amine and diazotization followed by coupling with 3, 5 di methyl phenol (3, 5-DMPH) at basic medium. The absorbance was measured at 434 nm, the method was optimized for best condition, and beers’ law is obeyed over the range of 0.4-50 µg.mL-1 with molar absorptivity and sandal’s sensitivity 1.3899 x104 L moL-1 .cm-1 and 0.0238x104 µg.cm-2 respectively. Analysis of solution containing nineteen different concentrations of FUR gave a correlation coefficient of (0.9999) a

... Show More
View Publication Preview PDF
Crossref (2)
Crossref
Publication Date
Fri Aug 28 2020
Journal Name
Iraqi Journal Of Science
Experimental Evaluation for the Inhibition of Carbon Steel Corrosion in Salt and Acid Media by New Derivative of Quinolin-2-One
...Show More Authors

The inhibition ability of the new derivative (quinolin-2-one), namely (1-{[5-(2-Chloro-phenylazo)-2- hydroy-benzylidene]-amino}-4,7-dimethyl -6-nitro- 1H-quinolin-2-one (CPHAQ2O)) towards carbon steel corrosion in (3.5% NaCl) and (0.5M HCl) solutions were evaluated by potentiodynamic polarization at different inhibitor concentrations. Polarization curves showed that the evaluated compound acted as mixed inhibitors, and the adsorption of the evaluated inhibitor obeys the Langmuir adsorption isotherm in both salt and acid solutions. The results revealed that the percentage inhibition efficiency (%IE) in the salty solution (90.55%) is greater than that in the acidic solution (77.62%). The surface changes of the carbon steel and the film per

... Show More
View Publication Preview PDF
Scopus (8)
Crossref (2)
Scopus Crossref