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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
Thu May 25 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Reproductive Biology of Common Carp(Cyprinus carpio L.) from AL-Gharraf Canal at Wasit province –Iraq II. Fecundity of Females
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  From September 2002, monthly samples of common carp (Cyprinus carpio L.) were collected from two stations al AL-Gharraf canal. The results of this study revealed that the relationship between fecundity and total length , body weight and age can be  expressed by the following equations:  Log F=2.049+1.059 Log W.     r =0.98 Log F=1.173+2.534 Log L.     r =0.96 Log F=3.844+2.197 Log A.     r =0.87 The range of the absolute fecundity of 20 female fishes were 50910 – 1008514 eggs and the relative fecundity was 177 eggs/g. The average egg diameter was 1.52 mm in ripe female and it ranged from 0.99mm to 1.64mm. There were three peaks of Ganado somatic index in

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Publication Date
Wed Apr 08 2020
Journal Name
Biochemical & Cellular Archives .
PURIFICATION OF RHODANESE (RHD) AND ITS ASSOCIATION WITH MDA AND PEROXYNITRITE IN PATIENTS WITH TYPE II DIABETES.
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Publication Date
Thu Jan 01 2015
Journal Name
International Journal Of Optics And Applications
Modeling and Analysis of a Miniaturized Ring Modulator Using Silicon-Polymer-Metal Hybrid Plasmonic Phase Shifter. Part I: Theoretical Framework
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This paper presents comprehensive analysis and investigation for 1550nm and 1310nm ring optical modulators employing an electro-optic polymer infiltrated silicon-plasmonic hybrid phase shifter. The paper falls into two parts which introduce a theoretical modeling framework and performance assessment of these advanced modulators, respectively. In this part, analytical expressions are derived to characterize the coupling effect in the hybrid phase shifter, transmission function of the modulator, and modulator performance parameters. The results can be used as a guideline to design compact and wideband optical modulators using plasmonic technology

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Publication Date
Tue Mar 14 2023
Journal Name
Iraqi Journal Of Science
Thermodynamic and kinetic Calculation for the Binding of Nickel (II) with Some Chelating Agents
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Chelating agents were used in a chelation therapy to detoxify heavy metals and toxins and convert them to an inactive form which was excreted out of the body. Nickel is one of these toxic heavy metal when presented in a high values over its allowable limit. This work studies the complexation of some amino acid (Glycine, Histidine, and Arginine) with nickel (II) ion and compare the result with complexation of EDTA (the synthesized amino acid) used in the chelation therapy. Our experiment were performed in a phosphate buffer of PH (7.2) and in a different temperature (283, 288,293, 298, 303)K . The results show a high tendency for these amino acid to nickel ion with an equilibrium constant in arrange of [KNi(II)-EDTA(17.2×108) > KNi(II

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Publication Date
Sun Apr 30 2023
Journal Name
Iraqi Journal Of Science
Study the Hardness and Some Ions in Central Karbala Drinking Water Treatment Station
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This study included the compromised the containing Hardness and some ions of treated water in central Karbala drinking water treatment station with Iraqi and international drinking water criteria. Also, this study was attempted to focus on probable pollution sources. The Hardness and other waters salts Sulphates (SO4), Chloride ion (Cl-), Calcium ion (Ca+2), and Magnesium ion (Mg+2) tests criteria were determined on water samples taken from Al-Hussainia River water source, treated drinking water during October-November 2013 to August - September 2014.Study results revealed an increasing in Total hardness (TH), sulfate, chloride, calcium, in winter (December- January) 2014. In addition, the results showed a decrease in above mentioned cri

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Publication Date
Sun Jun 30 2013
Journal Name
International Journal For Sciences And Technology
Synthesis and anti-bacterial study of novel compounds with bis (four-, five-, and seven-membered) heterocyclic rings
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New twin compounds having four-, five-, and seven- membered heterocyclic rings were synthesized via Schiff bases (1a,b) which were obtained by the condensation of o-tolidine with two moles of 4- N,N-dimethyl benzaldehyde or 4- chloro benzaldehyde. The reaction of these Schiff bases with two moles of phenyl isothiocyanate, phenyl isocyanate or naphthyl isocyanate as in scheme(1) led to the formation of bis -1,3- diazetidin- 2- thion and bis -1,3- diazetidin -2-one derivatives (2-4 a,b). While in scheme (2) bis imidazolidin-4-one (5a,b) ,bistetrazole (6a,b) and bis thiazolidin-4-one (7a,b) derivatives were produced by reacting the mentioned Schiff bases(1a,b)with two moles of glycine, sodium azide or thioglycolic acid, respectively. The new b

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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 and Preliminary Pharmacological Study of Sulfonamide Conjugates with Ibuprofen and Indomethacin as New Anti-Inflammatory Agents
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          4-aminobenzenesulfonamide conjugates of ibuprofen (compound 10) and indomethacin (compound 11) have been designed and synthesized by the reaction of sulfanilamide (compound 7) with 2-(4-isobutylphenyl) propanoic acid (ibuprofen) and 2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic acid (indomethacin) for the evaluation as potential anti-inflammatory agents with expected selectivity against COX-2 enzyme. In vivo acute anti-inflammatory activity of the synthesized final compounds (10 and 11) was evaluated in rats using egg-white induced edema model of inflammation in a dose equivalent to (10mg/Kg) of ibuprofen and (2mg/kg) of indomethacin. The tested compounds pr

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Publication Date
Sun Jun 11 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization Palladium(II) Complexes of benz-1,3-imidazoline-2-thione, benz-1,3-thiazoline-2thione and Diamine Ligands
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  Reaction of Na2PdCl4 with benz-1,3-imidazole-2-thione or (bzimtH) benz-1,3-thiazoline2-thione (bztztH) in ethanol / NE3 afford complexes of the type [Pd(bzimt)2](1) and [Pd(bztzt)2](2) respectively. Treatment of [Pd(L)2] L= bzimt or bztzt with bidentate ligands (N^N) where N^N= bipyridine (Bipy) , phenanthroline (Phen) , ethylene diamine , or N,N′dimethylethylene diamine afford mononuclear complexes of the type [PdL2(N^N)]. The bzimt and bztzt ligands are coordinated as bidentate chelating ligands through the S and N in (1) and (2) whereas bonded as a monodentate fashion via the sulfur atom in other complexes. The prepared complexes were characterized by elemental CHN analysis, ir and 1H nmr spectra.
 

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Publication Date
Tue Jan 01 2019
Journal Name
Indian Journal Of Public Health Research & Development
The Role of Salivary Cortisol and <i>Mutans Streptococci</i> in the Development of Early Childhood Caries
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Publication Date
Wed Nov 27 2019
Journal Name
Iraqi Journal Of Science
Synthesis and Characterization of New Azo Compounds Linked to 1, 8-Naphthalimide and Studying Their Ability as Acid-Base Indicators
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New Azo compounds containing an 1,8-naphthalimide moiety were synthesized from 1, 8-naphthalic anhydride by a reaction with p-phenylenediamine or benzidine to produce 1,8-naphthalimide derivatives (1 or 2), which were converted to diazonium salt derivatives by using sodium nitrite and acetic acid at 0-5 áµ’C. The diazonium salt was subjected to a coupling reaction with different substituted phenol in alkaline media at 0-5 áµ’c to produce azo compound derivatives (3-14).

The New Azo compound derivatives (3-14) were identified by 1H-NMR, 13C-NMR, and FTIR and by measuring characteristic physical properties and specific reactions. Also, the ability of the prepared azo compounds to work as acid-

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