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Theoretical Study of New Derivative of Cefotaxime-Amic Acid as a Corrosion Inhibitor
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PM3 and DFT quantum mechanical calculations were employed to give further
insight into the inhibition efficiency of the newly prepared cefotaxime amic acid
derivative. The calculated physical properties and quantum chemical parameters
correlated to the inhibition efficiency such as EHOMO (highest occupied molecular
orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap
(ΔE(HOMO-LUMO)), hardness (η), softness (S), dipole moment (μ), electron affinity
(EA), ionization potential (IE) and active site absorption..…etc., all studied and
discussed at equilibrium geometry in the gas phase and at its right symmetry (C1).
Experimentally the newly prepared cefotaxime derivative could be absorbed on
carbon steel surface with good inhibition efficiency by offering electrons from rich
hetero-atoms such as nitrogen and oxygen to unoccupied d-orbitals of Fe metal and
forming antibonding orbital-feedback bonds.

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Publication Date
Tue Jan 02 2018
Journal Name
Journal Of Educational And Psychological Researches
Suicide (theoretical study)
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Statistics indicate criminal in most countries of the world that the suicide rate continues to increase, as it prevalence manufacturing and complexity of life and the intensification of conflicts and escalating problems of rising suicide rates. And suicide is death intentional, that is, the intentional act that leads to ending the life of the individual and self-on purpose. The current research aims to identify the suicide in terms of its causes and its factors and come up with recommendations for the prevention of suicide. Because suicide is a life-threatening problem has tried several theories of interpretation and stand on its grounds. Considering the theories of psychoanalysis (Freud) that suicide is the result of the individ

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Publication Date
Wed Apr 26 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Antibactrial Study of New 2-Amino-5-Aryl- 1,3-Thiazole-4-Carboxylic Acid Derivatives
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2-Amino-5-aryl- 1,3-thiazole-4-carboxylic acid (A1-A3) were synthesized from the reaction of various aromatic aldehyde with dichloro acetic acid and thiourea. The synthesis of 2-[[(Saminosulfinim-idoyl)(aryl)methyl](benzoyl)amino]-5-aryl-1,3-thiazole-4-carboxylic acid (A22-A30) was perfomed starting from (A1-A3) by two steps using Schiff's base (A4-A12) prepared  from the reactant compounds (A1-A3) with different aromatic aldehyde. Finally two types of imide derivatives were obtained from reactant compounds (A1-A3) with malic anhydride (A31-A33) and phthalic anhydride (A34-A36) in the presence of glacial acetic acid. All proposed structures were supported by FT-IR and UV-Visible spectroscopic data.  
 

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Publication Date
Wed Mar 08 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis ,Characterization and Study of Liquid Crystalline Behavior of New Bent Core Mesogenes Derived From Isophthalic Acid
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Two series of bent core mesogen containing 1,2,4-traizole ring [X]a-e and [XI]a-e were synthesized by many steps starting from esterification of isophthalic acid with methanol to yield diester compound [I] which was converted to their acid hydrazide [II] and the acid hydrazide reacted with ammonium thiocyanate or phenyl isothiocyanate to yield compounds [III] and [IV] , respectively . Then cyclization by 4% NaOH to yielded 1,2,4 traizole-3- thiol compounds [V] and [VI], respectively, afterword adding hydrazine hydrate to yield compounds [VII] and [VIII] .These compounds condensated with different substituted aldehyde to give new Schiff bases[X]a-e and [XI]a-e,respectively. The synthesized compounds were characterized by melting points ,

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Publication Date
Sun Jan 30 2022
Journal Name
Iraqi Journal Of Science
Synthesis, Characterization, Theoretical Studies and Bioactivity of Pd(II), Rh(III), Ru(III) and Pt(IV) Complexes with 1,8-Naphthalimide Derivative
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A New Mannich base [N-(4-morpholinomethyl)-1,8-naphthalimide] (L), was synthesized and characterized by C.H.N analysis, FTIR, UV-Vis and 1HNMR spectral analysis. Metal ion complexes of (L) with Pt(IV), Rh(III), Ru(III) and Pd(II) ions were prepared and characterized by FT-IR, and UV-Vis spectroscopy, elemental analysis (C.H.N), flame atomic absorption techniques as well as magnetic susceptibility and conductivity measurements. The results showed that metal ion complexes for all complexes were found in [1:2] [M:L] ratio except for Pd(II) complex which was found in [1:1] [M:L] ratio. Hyperchem-8 program has been used to predict structural geometries of the (L) and it's complexes in gas phase. The electrostatic potential (EP) of the (L) was

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Publication Date
Tue Mar 28 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Study the Effect of Folic Acid as A supplement on Selected Oxidative Stress and Biochemical Parameters in First Trimester of Pregnancy
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Folic acid modulates several disorders in humans, pregnancy mostly because of the mitochondria-rich placenta, is a condition that favors oxidative stress.Transitional metals, especially iron, which are particularly abundant in the placenta, are important in the production of free radicals. Adenosine deaminase (ADA), an enzyme essential for the differentiation of lymphoid cells, has been used for monitoring diseases with altered immunity. In the present study we investigated the effect of regular and irregular administered folic acid in the first and second trimester of pregnancy to be compared with non-pregnant women ,and also the effect of regular and irregular using of folic acid  supplement on  oxidative stress parameters an

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Publication Date
Wed May 01 2013
Journal Name
Chemical And Process Engineering Research
Synthesis and Characterization of Polycyclicacetal Derived from PEG & Erythro-Ascorbic Acid Derivative and Study Its Effect on the Activity of ACh Enzyme (In Vitro)
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Polycyclicacetal was prepared from the reaction of PEG with aldehyde derived from Erythro-ascorbic acid (pentulosono-ɣ-lactone-2,3-enedianisoate).All these compounds were characterized by Thin Layer Chromatography (TLC) and FTIR spectra and aldehyde was also characterized by (U.V-Vis), 1HNMR, 13CNMR, and mass spectra.The inhibitory effect of prepared polymer on the activity of human serum AcetylCholinesterase has been studied in vitro. The polymer showed a remarkable activity at low concentration (4.7x10-3 – 4.7x10-8M).

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Synthesis and Theoretical Study of 4-(2-methyl-4-oxoquinazoline-3(4H)-yl) Benzoic acid with Some Transition Metal Ions
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New complexes of the type [ML2(H2O)2] ,[FeL2(H2O)Cl] and [VOL2] were M=Co(II),Ni(II) and Cu(II) ,L=4-(2-methyl-4-oxoquinazoline-3(4H)-yl) benzoic acid were synthesized and characterized by element analysis, magnetic susceptibility ,molar conductance ,FT-IR and UV-visible. The studies indicate that the L acts as doubly monodentate bridge for metal ions and form mononuclear complexes. The complexes are found to be octahedral except V(IV) complex is square pyrimde shape . The structural geometries of compounds were also suggested in gas phase by theoretical treatments, using Hyper chem-6 program for the molecular mechanics and semi-empirical calculations, addition heat of formation(?Hf ?) and binding energy (?Eb)for the free ligan

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Publication Date
Wed Mar 29 2017
Journal Name
Iraqi Journal Of Pharmaceutical Sciences ( P-issn 1683 - 3597 E-issn 2521 - 3512)
Uric Acid as a Natural Scavenger of Peroxynitrite in a Sample of Iraqi Patients with Rheumatoid Arthritis
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Rheumatoid arthritis (RA) is a chronic inflammatory disease associated with decreased antioxidant state .This study aim to investigate the status of oxidant/antioxidant in a sample of  Iraqi patients with RA and the role of peroxynitrite and its natural scavenger uric acid in them .This case-controlled study was conducted at Baghdad teaching hospital /Baghdad from December 2010-May 2011 . Twenty-five patients with mean age 39 years and 25 apparently healthy subject as controls with mean age 29 years were included in the study .Investigations include estimation of serum levels of nitric oxide (NO)  ,peroxynitrite (PN) , malondialdehyde (MDA)  , and uric acid (UA) .Serum PN levels were significantly elevated in RA patients a

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Publication Date
Thu Sep 30 2004
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Control of Calcium Scale and Corrosion of Medical City Cooling Water System using Sulfuric Acid
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Publication Date
Sun Jan 26 2020
Journal Name
Iraqi Journal Of Science
Electro polymerization for (N-Terminal tetrahydrophthalamic acid) for Anti-corrosion and Biological Activity Applications
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The present work reports the electrochemical synthesis of poly N Terminal tetrahydrophthalamic acid on stainless steel 316 (S.S), which acts as a working electrode, using an electrochemical polymerization technique. Fourier Transform Infrared Spectroscopy (FT-IR), Atomic Force Microscope (AFM) and Scanning Electron Microscope (SEM) characterized the formed polymer film. Corrosion protection tests for coated and uncoated S.S with polymer film were studied in 0.2 M hydrochloric acid (HCl) solution by using electrochemical polarization technique. Kinetic and thermodynamic activation parameters (Ea, A, ΔH*, ΔS* and ΔG*) were calculated. The biological activity of the polymeric film was determined against Gram positive (Staphy

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