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Synthesis, spectral characterization and thermal ‎study of complexes of ions of some metallic ‎elements with new cyclic ligands
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The purpose of my thesis is to prepare four new ligands (L1-L4) that have been ‎used to prepare a series of metal complexes by reacting them with metal ions:‎ ‎ M=(Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II) ‎ ‎ Where succinyl chloride was used as a raw material for the preparation of ‎bi-dented ligands (L1-L4) by reacting it with potassium thiocyanate as a first ‎step and then reacting with (2-aminobenzothiazole, Benzylamine, 4-‎aminoantipyrine, Sulfamethoxazole) respectively as a second step with the use ‎of dry acetone as a solvent, the chemical formula of the four ligands prepared in ‎succession:‎ N1,N4-bis(benzo[d]thiazol-2-ylcarbamothioyl)succinamide (L1)‎ N1,N4-bis(benzylcarbamothioyl)succinamide (L2)‎ N1,N4-bis((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl) ‎carbamothioyl)succinamide (L3)‎ N1,N4-bis((4-(N-(5-methylisoxazol-3-yl)sulfamoyl) phenyl) carbamo thioyl) ‎succinamide (L4)‎ ‎ The new ligands were identified using spectroscopic measurements that ‎included (FT-IR spectra, UV-Vis spectra, and nuclear magnetic resonance (1H, ‎‎13CNMR) spectra, mass spectra, elemental analysis (C.H.N.S), and thermal ‎analysis (TGA&DSC), as the results of the measurements proved to be identical ‎to the proposed molecular formula for these ligands.‎ ‎ A series of metal complexes for ligands was also prepared, which included ‎seven complexes for each ligand, by adding each of the metal ions to the four ‎ligands prepared in succession to produce the following molecular formulas: -‎ ‎[M2(L)Cl4] , L= L1, L2, L3, L4‎ ‎(M= Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II))‎ ‎ The prepared complexes were diagnosed by several techniques, including the ‎study of the infrared spectra of the prepared complexes, and when comparing ‎those spectra with the spectra of each of the four ligands prepared in the free ‎form, these gave clear changes, including the emergence of a new band within ‎the fingerprint area. It was not originally present in the spectra of ligands in ‎their free form, and this is due to the occurrence of coordination between the ‎metal ions under study and the donor atoms, which are the oxygen atom of the ‎‎(C=O) group, and the sulfur atom of the (C=S) group in the ligands. (L1-L4), ‎while other distinct bands were obtained with clear changes in shape, intensity, ‎and location, and this is an indication of the occurrence of a coordination ‎process between the metal ions under study and the four prepared ligands.‎ ‎ The percentage of metal ions in the prepared complexes was determined by ‎flame atomic absorption spectrometry, where it was shown from the careful ‎analysis of the elements the great agreement between the percentages calculated ‎theoretically and obtained practically.‎ ‎ The magnetic sensitivity results showed that some of the prepared metallic ‎complexes have paramagnetic properties.‎ The measurements of the molar conductivity of the prepared complexes ‎dissolved in DMSO at a concentration of 1×10-3 M and at the laboratory ‎temperature showed that they are of a non-electrolytic nature.‎ ‎ The prepared complexes were also studied through solubility, melting point, ‎and ultraviolet-visible techniques, and through the data of all the ‎aforementioned techniques, structural formulas were proposed for the prepared ‎complexes, through which it was found that the prepared ligands are bivalve ‎chelating ligands that lead to their participation as ligand into complexes with a ‎tetrahedral geometric shape for all metallic complexes under study.‎ ‎ The research included a study evaluating the antioxidant activity of some ‎selected metal complexes by studying the amount of radical scavenging of ‎DPPH* compared to ascorbic acid as an antioxidant reference agent. The zinc ‎complex showed higher activity than the nickel complex compared to standard ‎ascorbic acid. The [Cu2(L1)Cl4] and [Co2(L1)Cl4] complexes were also tested as ‎antibodies to inhibit the breast cancer cell line (MCF-7) and compared with the ‎normal cell line (HdFn), where the copper complex showed the ability to inhibit ‎the cancerous cell line compared with the cobalt complex. ‎ ‎ The molecular binding of ligands (L3) and (L4) was also studied, and their ‎possibility of using them as drugs in the treatment of some diseases, where the ‎ligand L3 showed better association with the active site of the enzyme than the ‎ligand L4, and is expected to highest antimicrobial effect. ‎ ‎ Finally, the biological effect of the prepared ligands and some of their ‎complexes on the growth of two types of bacteria, Escherichia coli and ‎Staphylococcus aureus, was studied using DMSO solvent, where the complexes ‎showed greater activity than the ligands against the selected types of bacteria. ‎‏

Publication Date
Thu Jun 01 2023
Journal Name
Russian Journal Of Organic Chemistry
New Quinolin-2-one, Indazole, and Benzisoxazole Derivatives Derived from Chalcones: Synthesis, Characterization, and Biological Activity
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Publication Date
Sat Oct 28 2023
Journal Name
Baghdad Science Journal
Synthesis, Characterization and Theoretical Investigation of Innovative Charge-transfer Complexes Derived from the N-phenyl 3, 4-selenadiazo Benzophenone Imine
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In the current study, a direct method was used to create a new series of charge-transfer complexes of chemicals. In a good yield, new charge-transfer complexes were produced when different quinones reacted with acetonitrile as solvent in a 1:1 mole ratio with N-phenyl-3,4-selenadiazo benzophenone imine. By using analysis techniques like UV, IR, and 1H, 13C-NMR, every substance was recognized. The analysis's results matched the chemical structures proposed for the synthesized substances. Functional theory of density (DFT)
has been used to analyze the molecular structure of the produced Charge-Transfer Complexes, and the energy gap, HOMO surfaces, and LUMO surfaces have all been created throughout the geometry optimization process ut

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Publication Date
Sun Mar 01 2026
Journal Name
Journal Of Molecular Structure
Synthesis, characterization, DFT calculations, molecular docking, ADMET analysis and biological activity of Schiff base metal complexes against colon cancer cells
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Publication Date
Tue Apr 15 2025
Journal Name
Bulletin Of The Chemical Society Of Ethiopia
Synthesis, spectral studies and antioxidant study of metal-coordinated azo-dye of pyridine and its analytical application for spectrophotometric micro-determination of copper(II)
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A novel azo dye ligand namely (2-(pyridin-3-yldiazenyl)naphthalen-1-ol (HPYNA), was synthesized by the coupling reaction of diazonium salt of 3-aminopyridine with naphthol. The palladium(II) complex for HPYNA ligand was prepared by reacting palladium(II) ions with the HPYNA ligand. These synthesized compounds were characterized using different techniques, including mass, 1H-NMR, infrared, and UV-Vis spectroscopy. The infrared results show that the azo ligand reacts as a bidentate via the oxygen atom of phenol and nitrogen atom of the azo group. The palladium(II) complex is square-planer with diamagnetic properties depending on the results of electronic transitions and magnetic sensitivity. The HPYNA ligand and palladium complex show

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Publication Date
Tue Dec 05 2023
Journal Name
Baghdad Science Journal
Synthesis and Antibacterial Evaluation for Some New Schiff-bases Derived from P-aminoacetanilide
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Derivatives of Schiff-bases possess a great importance in pharmaceutical chemistry. They can be used for synthesizing different types of bioactive compounds. In this paper, derivatives of new Schiff bases have been synthesized from several serial steps. The acid (I) was synthesized from the reaction of dichloroethanoic acid with 2 moles of p-aminoacetanilide. New acid (I) converted to its ester (II) via the reaction of (I) with dimethyl sulphate in the present of anhydrous of sodium carbonate and dry acetone. Acid hydrazide (III) has been synthesized by adding 80% of hydrazine hydrate  to the new ester using ethanol as a solvent. The last step included the preparation of new Schiff-bases (IV-VIII) by the reaction of acid hydrazide with app

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Publication Date
Tue Dec 05 2023
Journal Name
Baghdad Science Journal
Synthesis and Antibacterial Evaluation for Some New Schiff-bases Derived from P-aminoacetanilide
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Derivatives of Schiff-bases possess a great importance in pharmaceutical chemistry. They can be used for synthesizing different types of bioactive compounds. In this paper, derivatives of new Schiff bases have been synthesized from several serial steps. The acid (I) was synthesized from the reaction of dichloroethanoic acid with 2 moles of p-aminoacetanilide. New acid (I) converted to its ester (II) via the reaction of (I) with dimethyl sulphate in the present of anhydrous of sodium carbonate and dry acetone. Acid hydrazide (III) has been synthesized by adding 80% of hydrazine hydrate  to the new ester using ethanol as a solvent. The last step included the preparation of new Schiff-bases (IV-VIII) by the reaction of acid hydrazide with

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Publication Date
Sun Mar 06 2016
Journal Name
Baghdad Science Journal
Synthesis and Characterization of 3 - Substituted Coumarin
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The reaction of(2-oxo-2H-chromen-3-Carbonyl chloride)(k1) with hydrazine in boiling ethanol gives the hydrazide(K2).When compound (k2) reacts with various aromatic aldehydes ,the corres ponding Schiff bases(k3–k4) achieve new series of thiazotidines (k5–k6) and azetidinones (k7–k8) obtained from the reactions of appropriate Schiff bases with mercapto acetic acid and chloro acetyl chloride respectively. All the compounds are characterized by FT-IR,1H-NMR and GC-Ms.

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Publication Date
Sun Mar 01 2020
Journal Name
Baghdad Science Journal
Chemical Synthesis and Characterization of Conducting Polyaniline
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     The polyaniline powder was chemically manufactured by direct oxidation of aniline. The resulting polymer was characterized by the results of optical, measurements by (FT-IR) spectroscopy, we have detected some of the absorption peaks located at 3498, 2858 cm-1, which correspond N-H vibrations, and C-H expansion of the aromatic ring respectively as well as stretching vibrations of quinoid ring have been observed. Structural properties, such as the surface topography using an atomic force microscope (AFM), and Surface composition by (SEM) have been studied. The structure of some pellets of polyaniline powder have been examined by using analytical X-ray diffraction technique, the pattern of obse

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Publication Date
Wed Dec 13 2017
Journal Name
Al-khwarizmi Engineering Journal
Synthesis and Characterization of Nanocrystalline Zeolite Y
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Worldwide attention is being focused on  nanocrystalline  zeolites  and they are replacing conventional ones due to their pronounced potential in many fields. In this study, NaY zeolite has been prepared hydrothermally using sol –gel method and modified to the proton type by ion –exchange process. Characterization is made using X-ray diffraction (XRD), thermogravimetric analysis (TGA),  Fourier transform infrared spectroscopy (FTIR),  Atomic force microscopy (AFM), Brunauer –Emmet- Teller (BET) nitrogen adsorption method, Ammonia Temperature programmed desorption (NH3-TPD) and Scanning electron microscopy( SEM).  The effect of aging time, silica to alumina ratio is studied and the results sh

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Publication Date
Sun Sep 03 2017
Journal Name
Baghdad Science Journal
Synthesis, Spectroscopic Studies and Biological Activities of Mixed Metal (III) Complexes of Uracil with 1, 10-Phenanthroline
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New complexes of the [M(Ura)(Phen)(OH2)Cl2]Cl.2H2O type, where (Ura) uracil ; (Phen) 1,10-phenanthroline hydrate; M (Cr+3 , Fe+3 and La+3) were synthesized from mix ligand and characterized . These complexes have been characterized by the elemental micro analysis, spectral (FT-IR., UV-Vis, 1HNMR, 13CNMR and Mass) and magnetic susceptibility as well the molar conductive mensuration. Cr+3, Fe+3 and La+3- complexes of six–coordinated were proposed for the insulated for three metal(III) complexes for molecular formulas following into uracil property and 1,10-phenanthroline hydrate present . The proposed molecular structure for all metal (III) complexes is octahedral geometries .The biological activity was tested of metal(III) salts, liga

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