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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
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Solvent Extraction And Spectrophotomteric Determination Of Cu(Ii) With Dicyclohexyl - 18- Crown-6
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Liquid-Liquid Extraction of Cu(II) ion in aqueous solution by dicyclohexyl-18-crown-6 as extractant in dichloroethane was studied .The extraction efficiency was investigated by a spectrophometric method. The reagent form a coloured complex which has been a quantitatively extracted at pH 6.3. The method obeys Beer`s law over range from (2.5-22.5) ppm with the correlation coefficient of 0.9989. The molar absorptivity the stoichiometry of extracted complex is found to be 1:2. the proposed method is very sensitive and selective.

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Publication Date
Fri Oct 01 2021
Journal Name
Applied Thermal Engineering
Simultaneous and consecutive charging and discharging of a PCM-based domestic air heater with metal foam
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Publication Date
Fri Jun 30 2023
Journal Name
Samarra Journal Of Pure And Applied Science
New Ligand-Based Metal Complexes: Synthesis, Spectroscopic Characterization, Thermal Behavior, Anticancer Properties, and Biological Activity
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New ligands, N1, N4-bis (benzo[d]thiazol-2- ylcarbamothioyl) succinamide (L1) and N1, N4- bis (benzylcarbamothioyl)succinamide (L2), derived from succinyl chloride and 2-amino benzothiazole or benzylamine, respectively, have been used to prepare a set of transition metal complexes with the general formula [M2(L)Cl4], where L=L1 or L2, M = Mn(II), Ni(II), Cu(II), Cd(II), Co(II), Zn(II) or Hg(II). The synthesized compounds were characterized using various analytical techniques including TGA, 13C NMR, mass spectroscopy, 1H and Fourier-transform infrared (FTIR) spectroscopy, magnetic measurement, molar conductivity, electronic spectrum, (%M, %C, %H, %N) and atomic absorption flame (AAF) analysis. The results showed that (L1, L2) bin

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Publication Date
Wed Apr 12 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Novel 1,3-Oxazepines Derived from Diamic Acid : N,N‾-Bis-(4-methyl phenyl ) pyromellitamic Diacid
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    The symmetrical N,N‾-Bis-(4-methyl phenyl) pyromellitamic diacid  (I) was synthesized from the reaction of toludine with pyromellitic dianhydride in dry acetone. Esterification of amic acid (I) with dimethyl sulphate in basic medium using acetone as a solvent give symmetrical N,N‾-bis-( 4- methyl phenyl ) pyromellitam diacetate (II).  The condensation of new ester with hydrazine hydrate in ethanol  leads to the formation symmetrical N,N‾-bis- (4-methyl phenyl) pyromellitamic hydrazide (III). New symmetrical 1,3-oxazepine derivatives (V)a-e  can be synthesized  from the reaction of the new synthesized Schiff bases (III)a-e (which are synthesized from the reaction new hydrazide

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Publication Date
Sat Sep 30 2023
Journal Name
Iraqi Journal Of Science
Study of Some Hematological Parameters of Dogs Infected with Toxocariasis, before and after the Treatment with Tetramisole, in Al-Diwaniyah Governorate, Iraq
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The presented investigation, here, was carried out to understand the status of the blood parameters, before and after deworming of Toxocara infection in dogs. For performing the study, 15 pet dogs were recruited from some residential areas in Al-Diwaniyah Province, Iraq. These dogs were exposed to fecal-microscopic based detection of Toxocara eggs and hematological based evaluation of white blood cell (WBC), red blood cell (RBC), and differential counts before and 10 days after treatment with tetramisole. The helminth eggs in the feces of dogs were detected by the flotation method. In case of egg detection, deworming was carried out with tetramisole. The results revealed that the egg number was significantly (p˂0.05) decreased

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Publication Date
Tue Dec 06 2016
Journal Name
Chalcogenide Letters
THEORETICAL MODELING OF THE ELECTRONIC PROPERTIES CORE AND SURFACE OF CdSe1-xTex CHALCOGENIDE NANOCRYSTALS VIA DFT CALCULATION
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Publication Date
Mon Jul 04 2022
Journal Name
Indian Journal Of Forensic Medicine & Toxicology
The Correlation between Insulin Resistance and Urotensin II in Patients with Gestational Diabetes Mellitus
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Gestational diabetes mellitus is glucose intolerance of varying degree with onset or first detection duringpregnancy,it can causelong and short term morbidities in both the mother and the child, such as shoulder dystocia,preeclampsia, and high blood pressure. The most powerful endogenous vasoconstrictor peptide, urotensin II, andits receptor are involved in the etiology of gestational diabetes mellitus.Aim of the study: The study’s goal was to see if there is a link between Urotensin II levels and insulin resistancein pregnant women with gestational diabetes.Patients and method: A case-control study that was conducted in obstetrics and gynecology department atBaghdad Teaching hospital from the first of January 2019 to the end of D

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Preparation, characterization and study of biological activity and laser effect on the new Cu(II) complexes containing mixed benziloxime and furfuraldehydeazine ligands
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Abstract: New copper(II) complexes with mixed ligand benziloxime (BOxH) and furfural-dehydeazine (FA) using classical (with and without solvent) and microwave heating methods have been prepared. The resulting complexes have been characterized using physico-chemical techniques. The study suggested that the ligands formed neutral complexes had general formulas [Cu(FA)(BOXH)(Ac)2] and [Cu(FA)(BOX)(OH)] in neutral (or acidic) and basic medium, respectively. Accordingly, hexa-coordinated mono-nuclear complexes have been investigated by this study and having distorted octahedral geometry. The effect of laser have been studied on solid ligands and solid complexes, no effect have been observed on most compounds through the results of melting poin

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Publication Date
Tue May 30 2023
Journal Name
Iraqi Journal Of Science
Synthesis of Sodium-Lead Apatite Structure with the Excess and the Lack of Sodium
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     X-ray phase analysis was used to analyse the composition of Pb8Na(2±x)(PO4)6 (lead-sodium apatite structure) with different X values (X values refer to changes in the excess or lack of sodium (2±X) in the apatite structure): -0.15, -0.10, -0.05, 0.00, +0.05, +0.10, and +0.15. The ceramic method (solid-state reaction) was used to synthesize all samples at a temperature of 800 °C. Many programs, such as match software (v.3), PDF-4 database (ICCD), and database PDF-4 (ASTM), were used to study the single phases. The least-squares method was used to calculate the unit cell parameters. Results have shown that the following compositions: Pb8Na2(PO4)6<

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Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Journal Of Science
The Performance of V2O5:Ag Nanoparticles as Thin Film and Bulk Pellet Sensor for NO2 and NH3 Detection
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      A comparison of gas sensing performance of V2O5:Ag nanoparticles as thin film and as bulk pellet toward NO2 and NH3 is presented. V2O5:Ag nanoparticles thin films were deposited by vacuum thermal evaporation method on glass substrates while the pellets were prepared by powder technology. XRD patterns of thin film and pellet were polycrystalline with an orthorhombic structure. The value of average grain size is about 60 nm. The morphological properties of the samples have been distinguished by atomic force microscopy (AFM) and field effect scanning electron microscopy (FESEM) which indicated that the films showed homogeneous surfaces morphology a

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