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Synthesis, Characterization and Quantum Chemical Studies of Inhibition Ability of Novel 5-Nitro Isatin Derivatives on The Corrosion of Carbon Steel in Sea Water
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This research includes synthesis of new 5-Nitro isatin derivatives starting from 5-Nitro-3-(ethyl imino acetate)-2-oxo indole (1) namely 5-nitro-3-[(imino acetyl) semicarbazide]-2-oxo indole (2); 5-nitro-3-[(imino acetyl) phenylsemicarbazide]-2-oxo indole (3); 5-nitro-3-[(imino acetyl) thiosemicarbazide]-2-oxo indole (4); 5-nitro-3-[(iminoacetyl) phenylthiosemi carbazide]-2-oxo indole (5); 5-nitro-3-[(methyl imino)-4H-1, 2, 4-triazol-5-ol-3-yl]-2-oxo indole (6); 5-nitro-3-[(methyl imino) 4-phenyl-1, 2, 4-triazol-5-ol-3-yl]-2-oxo indole (7); 5-nitro-3-[(methyl imino) 4-phenyl-1, 2, 4-triazol-5-thiol-3-yl]-2-oxo indole (8) and 5-nitro-3-[(methyl imino) 4H-1, 2, 4-triazol-5-thiol-3-yl]-2-oxo indole (9). The derivatives were characterized using FTIR, 1HNMR, 13CNMR and C.H.N.S analysis with the measurement of some physical properties.

Quantum mechanical method of the Density Functional Theory (DFT) of B3LYP with a level of 6-311++G (2d, 2p) were used to calculate the geometrical structure, physical properties, and inhibition efficiency parameters, at the equilibrium geometry in four media (vacuum, DMSO, ETOH and H2O). The theoretical results showed that compound (7) was the best corrosion inhibitor among the others. Finally, potentiodynamic polarization studies showed that the compound (7) was a mixed type inhibitor. The adsorption of this compound on a carbon steel surface from sea water obeyed the Langmuir adsorption isotherm. The decrease in the inhibition efficiency with the increase in temperature and the low negative values of ΔH°ads suggest predominant physisorption of the prepared compound (7) on the carbon steel surface. The surface morphology of the carbon steel before and after inhibition was studied using SEM (Scanning Electron Microscopy) and AFM (Atomic Force Microscopy) techniques.

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Publication Date
Sat Jan 18 2025
Journal Name
Journal Of Baghdad College Of Dentistry
The effect of various endodontic irrigants on the sealing ability of Biodentine and other root perforation repair materials (In vitro study)
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Background: This in vitro study was carried out to evaluate the effect of various endodontic irrigants (sodium hypochlorite, ethylene diaminetetracetic acid and normal saline) on sealing ability of (Biodentine, mineral trioxide aggregate, and amalgam) used to repair furcal perforations. Material and methods: One hundred and twenty extracted human molars with divergent roots were used in this study. A standard root canal access cavity was prepared in each tooth and furcal perforation was made and was standardized by using k file size 100 instrument to get a perforation of (1.32mm) in diameter .The teeth were randomly divided in to three groups of 40 teeth according to the type of material used to repair the perforations (Group A: The furcal

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
The Effect of Germination on Chemical Constituents of Broad Beans and Chickpeas Seeds
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This study was carried out to find out the effect of germination of broad beans and chickpeas seeds for different periods on their antinutritional factors content ( Trypsin inhibitor and Phytic acid ) and the chemical constituents of germination seeds compared with the control samples (ungerminated seeds) . The results indicated asignificant increase (P<0.05) in crude protein content as germination period proceeded.The highest values of 28.0% and 24.0% were reached on the sixth and fourth day for germinated broad beans and chickpeas respectively, The intial values were 25.6% and 23.5% for control samples, respectively. The content of raffinose,stachyose and verbascose were reduced as germination period proceeded, Stachyose and verbascose we

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Publication Date
Mon Jan 01 2018
Journal Name
Matec Web Of Conferences
Carbon-13 Characterization and Modelling for Temperature Measurement-Based Proton Frequency
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The physical substance at high energy level with specific circumstances; tend to behave harsh and complicated, meanwhile, sustaining equilibrium or non-equilibrium thermodynamic of the system. Measurement of the temperature by ordinary techniques in these cases is not applicable at all. Likewise, there is a need to apply mathematical models in numerous critical applications to measure the temperature accurately at an atomic level of the matter. Those mathematical models follow statistical rules with different distribution approaches of quantities energy of the system. However, these approaches have functional effects at microscopic and macroscopic levels of that system. Therefore, this research study represents an innovative of a wi

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Publication Date
Thu Jan 01 2009
Journal Name
Ibn Al- Haitha M J. Fo R Pur E & Appl. Sc I
Synthesis and Structural Study of Some Mo(II) Carbonyl Complexes with Triazole and Oxadiazole Derivatives
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A new carbonyl complexes of triazole and oxadiazole were synthesized. These complexes were identified and their structural geometric were suggested by using FT-IR and UV-Vis spectra, conductivity measurements and other chemical and physical properties. The spectra data (FT-IR, UV, Vis.) with the substantial aid of group theoretical calculations gave so many evidences for the proposed geometries and the type of bonding of these compounds

Publication Date
Sat Dec 01 2018
Journal Name
Journal Of Pharmaceutical Sciences And Research
Pryparation, characterization and biological activity of new derivatives of 2-biphenyl-3-aminomethylimidazo(1,2-a)pyrimidine
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New Fourteen compounds were synthesized in four steps. The first step included synthesis of 2-biphenyl fused ring of imidazo(1,2- a)pyrimidine from the reaction of 2-aminopyrimidine and biphenyl phenacyl bromide . The second step was introduced aldehyde group from the reaction of 2-biphenyl fused rings of imidazo(1,2-a)pyrimidine with POCl3 in presence of DMF and CHCl3. 3-Carbaladehyde derivatives of fused imidazo/pyrimidine was reacted with different aromatic amines to afford new Schiff bases. These new 3- imines derivatives was reduced by using sodiumborohydride to yield another new 3-aminomethyl-2-biphenyl imidazo (1,2-a)pyrimidine derivatives in moderate yield .Some new prepared compounds were identified by melting point, FT- IR , 13C-

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Publication Date
Mon May 15 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Potentiostatic Study for the effect Of LAS on the Corrosion Of pure Zinc in 0.01 M HCl solutions
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   A potentiostatic study for the corrosion of pure zinc in 0.01 M HCl was achieved in absence and presence of (linear alkylbenzene solfonate LAS) detergents in a range of concentrations (0-50) mg/L. The electrochemical studies included anodic, cathodic polarization by using potentiostat over temperature rang (293- 323) K.     The mechanism of corrosion rate of pure zinc was suggested by evaluating of αa , αc , ba , bc , i0 , Rp and the kinetic parameters also calculated ( Ea , A) at the above temperature rang, The thermodynamic of corrosion, corrosion accelerating and corrosion  protecting were investigated by calculating  (∆G, ∆H and ∆s) values

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Publication Date
Fri Mar 27 2020
Journal Name
Iraqi Journal Of Science
Study of T-norms and Quantum Logic Functions on BL-algebra and Their Relationships to the Classical Probability Structures
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This paper is concerned with the study of the T-norms and the quantum logic functions on BL-algebra, respectively, along with their association with the classical probability space. The proposed constructions depend on demonstrating each type of the T-norms with respect to the basic probability of binary operation. On the other hand, we showed each quantum logic function with respect to some binary operations in probability space, such as intersection, union, and symmetric difference. Finally, we demonstrated the main results that explain the relationships among the T-norms and quantum logic functions. In order to show those relations and their related properties, different examples were built.

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Publication Date
Thu Mar 30 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Synthesis of New Cyclic Amines-Linked Metronidazole Derivatives as Possible Prodrugs
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         Certain cyclic amine derivatives of metronidazole via acetate spacer were prepared. Cyclic amines used are piperidine and piperazine to improve the physicochemical properties and reduce some of metronidazole side effects. This is believed to be done by modification of its structural features to get prodrugs with improved properties over that of metronidazole. The present work includes esterification of metronidazole with choroacetic acid, N-alkylation of the cyclic amines by the halogenated ester and characterization of their structures by spectral(UV and IR) and elemental(CHN)analysis.The melting points, degree of solubilities and partition coefficients were also determined. Both metronid

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Publication Date
Sun Jun 30 2019
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Evaluation the Effect of Velocity and Temperature on the Corrosion Rate of Crude Oil Pipeline in the Presence of CO2/H2S Dissolved Gases
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In this paper investigate the influences of dissolved CO2/H2S gases, crude oil velocity and temperature on the rate of corrosion of crude oil transmission pipelines of Maysan oil fields southern Iraq. The Potentiostatic corrosion test technique was conducted into two types of carbon steel pipeline (materials API 5L X60 and API 5L X80). The computer software ECE electronic corrosion engineer was used to predict the influences of CO2 partial pressure, the composition of crude oil, flow velocity of crude oil and percentage of material elements of carbon steel on the rate of corrosion. As a result, the carbon steel API 5L X80 indicates good and appropriate resistance to corrosion compared to carbon steel API

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Publication Date
Sat May 08 2021
Journal Name
Iraqi Journal Of Science
Synthesis and Identification of Some Imino Chalcone Derivatives with Evaluating their Anti-oxidant Activity
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This work involves the preparation of high yield iminochalcon compounds (B1-B15)  through two parts. The first part involves the preparation of 2,4-dihydroxy Chalcone (A1-A15) by the condensation of 2,4-dihydroxy acetophenone  with  aryl aldehyde in the presence of sodium hydroxide (40%) as a catalyst. The second part includes the preparation of  iminochalcon from the condensation of p-hydroxy aniline with 2,4-dihydroxy chalcone  derivatives  )A1-A15)  in the presence of some drops of conc. H2SO4. Thin-layer chromatography ((TLC)  was used to control the chemical reaction . These new derivatives were characterized by using FT-IR and  1H-NMR spectroscopy. These synthesized

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