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Synthesis and DFT Study of the Complexation of Schiff Base Derived Curcumin and L-Tyrosine with Al(III), Ag(I), and Pb(II) Metal Ions
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The multi-dentate Schiff base ligand (H2L), where H2L=2,2'-(((1,3,5,6)-1-(3-((l1-oxidaneyl)-l5-methyl)-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-di ene-3,5-diylidene)bis(azaneylylidene))bis(3-(4-hydroxyphenyl)propanoic acid), has been prepared from curcumin and L- Tyrosine amino acid. The synthesized Schiff base ligand (H2L) and the second ligand 1,10-phenanthroline (phen) are used to prepare the new complexes [Al(L)(phen)]Cl, K[Ag(L)(phen)] and [Pb(L)(phen)]. The synthesized compounds are characterized by magnetic susceptibility measurements, micro elemental analysis (C.H.N), mass spectrometry, molar conductance, FT-infrared, UV-visible, atomic absorption (AA), 13C-NMR, and 1H-NMR spectral studies. The characterization of the synthesized complexes shows that the environment surrounding the central metal ion in the complexes adopted a distorted octahedral configuration. Moreover, the conductivity measurements show a non-electrolytic character for the [Pb(L)(phen)] complex and an electrolytic character for the [Al(L)(phen)]Cl and K[Ag(L)(phen)] complexes. The experimental infrared data are supported by density functional theory (DFT) calculations using the B3LYP level of theory and LANL2DZ basis set. The vibrational frequencies of the molecules are computed using the optimized geometry obtained from the DFT calculations. The calculated vibrational frequencies have been compared with obtained experimental values. 1H and 13C-NMR chemical shifts were computed for the H2L ligand using the DFT/GIAO method. Additionally, the molecular electronic structures of the complexes have been investigated by DFT calculations.

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Publication Date
Fri Feb 07 2025
Journal Name
Al–bahith Al–a'alami
The Responsibility of the Iraqi Journalism in Promoting Political Culture in Society: (An Analytical Study in Newspapers: Al-Sabah, Al-Ittihad, Al-Aalam for 2/ 3/ 2013 - 31/ 3/ 2013)
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This study comes as: The responsibility of the Iraqi newspapers in promoting  the political culture inside society, an analytical study in newspapers: Al-Sabah, Al-Ittihad, Al-Aalam for 2/ 3/ 2013 to 31/ 3/ 2013 to spot light on the extent to which the three mentioned newspapers are compliance with the promotion  of the political culture inside society which is seen as one of the essential requirements for the success and promotion of the democratic process inside society.

The study aims to: finding out the extent to which these newspapers are compliance with their responsibility in the promoting the political culture inside society; knowing the nature of their role in pr

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Crossref
Publication Date
Thu Jan 14 2021
Journal Name
Iraqi Journal Of Science
Repository of Basic Digital Skills for Moroccan Doctoral Students “University Case of Study :Hassan II Casablanca”
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Being a doctoral student is not easy because it presupposes having a number of technical skills, among which digital skills, defined by the European Commission (2006) as "the safe and critical use of the technologies of the society of the information". and the variety of digital use in the personal and professional context, allows us to ask the question that any doctoral student should master and acquire in terms of digital skills? And on what basis can we define these skills?
In this work we expect to develop a baseline of digital skills, is a document that includes the set of essential digital skills that represents a fundamental tool for the doctoral student who can in no way bypass it. And for this, we conducted interviews with ab

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Publication Date
Mon Mar 08 2021
Journal Name
Baghdad Science Journal
The Alvezaúah properties of crude oil and associated water and the relationship with qualities Alheidrocorpunat resulting Fertile Mkami and central Iraq
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Conducted Althilelat chemical models of crude oil back to the reservoir Fertile from the fields of Baghdad and Kut and models of crude oil back to the reservoir ??????? of Haklbe Tikrit and Baghdad were calculated their properties Alvezaúah Kalkthaqh and weight, quality and degree of August j (API) and know the quality Nfothma that was light or heavy and make the comparison between Alinvtin also conducted chemical analyzes of the two models of Almia associated with each of the oil above Almkmnin and measured Ktvthma and Zojithma and concentrations of some dissolved salts in them and clarify the relationship between the oil reservoir and water associated with oil fields...

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Publication Date
Sun Jan 01 2006
Journal Name
Anbar Journal Of Agricultural Sciences 4 (1)‏
EFFECT OF GIBBERELLIN AND LIQUORICE EXTRACT ON FRUITS PHYSICALS CHARACTERISTICS OF DATE PALM Phoenix dactylifera L. ZAHDI CV.‏
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Publication Date
Tue Sep 19 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Antimicrobial activity of petroleum ether extracts from leaves, seeds and roots of Zygophyllum fabago L. towards some microorganisms
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The  study  was  aims  to  evaluate  the  antimicrobial  acttvtty  of petroleum  ether extracts from  leaves , seeds and root of Zygophyllum fabago   , against   several   microorganisms  including   gram   negative bacteria (Pseudomonas aeruginosa  & Escherichia coli), gram positive bacteria  (Staphylluwccus aureus  & Bacillus  subtilis),  in addition  to yeast (Candida  albicans).

While the results of sensitivity of the microorganisms to words petroleum  ether extracts  showed different activity , petrolewn  ether extract of seeds showed  more antimicrobial

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Publication Date
Sun Dec 03 2017
Journal Name
Anbar Journal Of Agricultural Sciences
Effect of seeds priming treatments in viablity and vigour of soybean (glycine max l.) seeds under salinity stress
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Two factorial experiments were conducted. One of them was laboratory experiment which was carried out at the Laboratory of Agriculture and Marshes College, University of Thi-Qar during laboratories of certification and test of seeds office in Thi-Qar governorate–Nassiriyah district during 2015. The other was conducted at the lath house with used the pots during spring season of 2016. The aim was to investigate the effect of soybean seeds priming before sowing on seed vigour and seedling growth characteristics under salinity stress. The design of Lab. experiment was (CRD) while for the other experiment was (RCBD) with four replications. Each experiment consisted of two factors. The first factor included seeds soaking treatments for 24 hour

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Publication Date
Fri Feb 07 2025
Journal Name
Iraq Journal Of Agricultural Research
EFFECT OF STORAGE TEMPERATURE , PICKING TYPE AND PLANT EXTRACTS ON STORAGE FRUITS OF LOCAL ORANGE CITRUS SINENSIS . l
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Publication Date
Fri Feb 07 2025
Journal Name
Iraqi Journal Of Science
Synthesis, Characterization and Quantum Mechanical Study of Some New 2-benzylidenehydrazinecarbothioamide Derivatives as Corrosion Inhibitors for Carbon/mild Steel in Acidic Medium.
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In this work, some of new 2-benzylidenehydrazinecarbothioamide derivatives have been prepared by condensation of thiosemicarbazide and different substituted aromatic benzaldehydes in presence of glacial acetic acid to give compounds (1-6), these compounds have characterized by its physical properties and spectroscopic methods. This work also included theoretical study to prove the ability of these compounds as corrosion inhibitors; The program package of Gaussian 09W with its graphical user interface GaussView 5.0 had used for this purpose; the methods of Density Functional Theory (DFT) with basis set of 6-311G (d,p) / hybrid function of B3LYP and semiempirical method of PM3 have been used, the study included theoretical simulation

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Publication Date
Sun Jul 02 2023
Journal Name
Iraqi Journal Of Science
Synthesis, Characterization and Quantum Mechanical Study of Some New 2-benzylidenehydrazinecarbothioamide Derivatives as Corrosion Inhibitors for Carbon/mild Steel in Acidic Medium
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In this work, some of new 2-benzylidenehydrazinecarbothioamide derivatives
have been prepared by condensation of thiosemicarbazide and different substituted
aromatic benzaldehydes in presence of glacial acetic acid to give compounds (1-6),
these compounds have characterized by its physical properties and spectroscopic
methods. This work also included theoretical study to prove the ability of these
compounds as corrosion inhibitors; The program package of Gaussian 09W with its
graphical user interface GaussView 5.0 had used for this purpose; the methods of
Density Functional Theory (DFT) with basis set of 6-311G (d,p) / hybrid function of
B3LYP and semiempirical method of PM3 have been used, the study included
t

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Publication Date
Sat Jun 01 2024
Journal Name
Minar International Journal Of Applied Sciences And Technology
PREPARATION, CHARACTERIZATION AND EVALUATE THEIR BIOLOGICAL ACTIVITY OF NEW HETEROCYCLIC COMPOUNDS DERIVED FROM 4-((1-(4-HYDROXYPHENYL) ETHYLIDENE) AMINO) BENZENESULFONAMIDE
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The research included the preparation of cyclic compounds from thiazoles, imidazoles and oxazepines from the reaction of cyclization starting material that acts Schiff bases, which is a raw material in the formation of cyclic compounds from Schiff's(B1) by reaction of 4- aminobenzenesulfonylamide with 4-hydroxyacetophenone which can used to synthesized two lines. The first introducing the preparation of pyrazoles [B4, B5] from ester [B2], which derived to acid hydrazide[B3] with hydrazine hydrate and final pyrazoles obtained by the reaction with diethylmalonate and acetylacetone. The second including prepared the new 1,3-oxazepine1,5-dione derivatives[B6,B7,B8] from adding different anhydrides to the base[B1] as a seven membered ring ; te

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