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Synthesis, DFT Calculations, DNA Interaction, and Antimicrobial Studies of Some Mixed Ligand Complexes of Oxalic Acid and Schiff Base Trimethoprim with Various Metal Ions
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Mixed ligand metal complexes are synthesized from oxalic acid with Schiff base, and the Schiff base was obtained from trimethoprim and acetylacetone. The synthesized complexes were of the type [M(L1)(L2)], where the metal, M, is Ni(II), Cu(II), Cr(III), and Zn(II), L1 corresponds to the trimethoprim ((Z)-4-((4-amino-5-(3,4,5-trimethoxybenzyl)pyrimidine-2-yl)imino)pentane-2-one) as the first ligand and L2 represent the oxalate anion ( ) as a second ligand. Characterization of the prepared compounds was performed by elemental analysis, molar conductivity, magnetic measurements, 1H-NMR, 13C-NMR, FT-IR, and Ultraviolet-visible (UV-Vis) spectral studies. The recorded infrared data is reinforced with density functional theory (DFT) calculations. Also, the recorded and calculated IR spectra of the complexes suggested that the coordination of Schiff base is a bidentate ligand with Cu and Ni complexes and a tridentate ligand with Co, Cr, and Zn complexes. The electronic structures of the complexes were investigated by DFT calculations, showing several degrees of HOMO-LUMO energy gaps between complexes. The complexes were studied for their DNA interaction activities. The synthesized ligand and its metal complexes were evaluated for antimicrobial properties against bacterial strains of Bacillus subtilis (G+), Enterobacter cloacae (G-), and Staphylococcus aureus (G+). These complexes considered in this study showed good antimicrobial activity.

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Publication Date
Sun Sep 01 2013
Journal Name
Baghdad Science Journal
Synthesis ,spectroscopic study of Antipyryl azo 2-Naphthol and use it as new reagent for determination of Co(II) and Cu(II)
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A simple ,accurate and sensitive spectrophotometric method has been developed the determination of Cobalt(II) and Cupper (II) .The method is based on the chelation of Co(II) and Cu(II) ions with 4-(4´-pyrazolon azo) -2-Naphthol(APAN) in aqueous medium . The complexes have a maximum absorption at (513) and (506) nm and ? max 0.531×10 4 and 0.12×10 5 L.mol -1.cm -1 for Co(II) and Cu(II) respectively .The reagent and two complexes have been prepared in ethanolic solution.The stoichiometry of both complexes were found to be 1:2 (metal :legend) .The effects of various cations and anions on Co(II) and Cu(II) determination have been investigated .The stability constants and standard deviations for Co(II) and Cu(II) 0.291 x107 ,0.909X108 L.mol

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Publication Date
Fri Feb 28 2025
Journal Name
Moroccan Journal Of Chemistry
Design, Synthesis, and Biological Evaluation of new sulfonamides derived from 2-Aminopyridine: Molecular docking, POM analysis, and identification of the pharmacophore sites
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New series of imidazole[1,2-a]pyridine-sulfonamides was designed and synthesized from 2-aminopyridine, which was reacted with p-bromo phenacyl bromide in the present of MgO to produce the corresponding imidazole[1,2-a]pyridine, which was then reacted with chlorosulfonic acid to produce 2-(4-bromophenyl)imidazole[1,2-a]pyridine-3-sulfonyl chloride [2]. Following that, treatment of (2) with different amines using the grand method to generate imidazole [1,2-a] pyridine sulfonamides. All the synthesized compounds have been characterized by FTIR, 1HNMR and 13CNMR and C.H.N analysis. The DFT, POM analysis and molecular docking were carried out on for all final compounds to investigate drug like attributes, and the results revealed showed that the

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Publication Date
Fri May 06 2016
Journal Name
Journal Of The College Of Basic Education
Some Thermodynmic Properties of binary Mixtures of Alcohol isomers and Sulfolane at 298.15 K
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Publication Date
Mon May 11 2020
Journal Name
Baghdad Science Journal
Investigation of the Quadrupole Moment and Form Factors of Some Ca Isotopes: Quadrupole Moment
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Nuclear shell model is adopted to calculate the electric quadrupole moments for some Calcium isotopes 20Ca (N = 21, 23, 25, and 27) in the fp shell. The wave function is generated using a two body effective interaction fpd6 and fp space model. The one body density matrix elements (OBDM) are calculated for these isotopes using the NuShellX@MSU code. The effect of the core-polarizations was taken through the theory microscopic by taking the set of the effective charges. The results for the quadrupole moments by using Bohr-Mottelson (B-M) effective charges are the best. The behavior of the form factors of some Calcium isotopes was studied by using Bohr-Mottelson (B-M) effective charges.

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Publication Date
Sun Jan 25 2026
Journal Name
Journal Of Baghdad College Of Dentistry
Preparation and Evaluation of Some Properties of Heat Cured Acrylic Based Denture Soft Liner
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Background: The base of the denture is largely responsible for providing the prosthesis with retention, stability, and support by being closely adapted to the oral mucosa. However; the process of bone resorption is irreversible and may lead to an inadequate fit of the prosthesis; this can be overcome by relining. Materials and methods: Acrylic based soft denture liner is prepared by preparing polymer from purified methylmethacrylate monomer with (10-2) initiator and (30%) dibutylphthalate plasticizer concentrations. Biological properties were evaluated in comparison with the control material through subcutaneous specimens' implantation in the New Zealand rabbits. Excisional biopsies were taken after (1, 3, days 1, 2, 3, 4 weeks) period. Mic

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Publication Date
Sun Feb 03 2019
Journal Name
Iraqi Journal Of Physics
Impact of thickness and heat treatment on some physical properties of thin Cu2SnS3 films
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Copper tin sulfide (Cu2SnS3) thin films have been grown on glass
substrate with different thicknesses (500, 750 and 1000) nm by flash
thermal evaporation method after prepare its alloy from their
elements with high purity. The as-deposited films were annealed at
473 K for 1h. Compositional analysis was done using Energy
dispersive spectroscopy (EDS). The microstructure of CTS powder
examined by SEM and found that the large crystal grains are shown
clearly in images. XRD investigation revealed that the alloy was
polycrystalline nature and has cubic structure with preferred
orientation along (111) plane, while as deposited films of different
thickness have amorphous structure and converted to polycrystalline

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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Effect of Lactobacillus salivarius supernatant against growth and biofilm formation of some pathogenic microorganisms
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The Inhbititory effect of cocentrated and non-cocentrated supernatant of the probiotic Lactobacillus salivarius against growth of some potential pathogenic microorganisms which included Pseudomonas eruginosa, Klebsiella spp, Escherichia coli and Candida albicans. The results were diffusion assay revealed that concentrated and non-concentrated supernatant had inhitory effect against pathogenic bacteria with inhibition zone renged between 13-17mm while inhibition effect of concentrated supernatant against C.albicans was inhibition zone 8mm. On the other hand, the effect of these suprnatant against biofilm formation of the tested microorganisms was studied. The result showed that the concentrated supernatant had inhibitory effect on biofil

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Publication Date
Sun Sep 01 2019
Journal Name
Journal Of Physics: Conference Series
Seed weight effect on germination properties and seedling growth of some cultivars of lupine
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A laboratory experiment was carried out and repeated at field of College of Agricultural Engineering Sciences, University of Baghdad in 2017. First factor was three cultivars of lupine 'Giza-1', 'Giza-2' and 'Hamburg'. Second factor was three seed weights (lower weight, medium weight and higher weight) which was following the cultivars factor. Nested design was used. Results showed supremacy of 'Giza-1' cultivar significantly and gave higher germination ratio, radical length, seedling dry weight, seedling vigour index, field emergence ratio, plant height and number of leaves per plant. The treatment ('Giza-1'×higher seed weight) was supremacy significantly and gave higher germination ratio, radical length, plumule length, and seedling vigo

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Publication Date
Fri Jan 01 2021
Journal Name
Materials Today: Proceedings
Study of some electronic and spectroscopic properties of ZnO nanostructers by density functional theory
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Publication Date
Thu Sep 28 2023
Journal Name
International Journal Of Membrane Science And Technology
Morphological and Anatomical Study of Some Species of Ziziphus L. (Rhamnaceae) Growing in Iraq
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The genus Ziziphus is one of the Family Rhamnaceae and consists of more than 170 species distributed in tropical and subtropical regions. All the species in the genus are of economical and medical importance. This study was conducted to identify the morphologically and anatomically features of the genus in Iraq.  The field survey was conducted across the study area where 4 species (Ziziphus jujube, Z. mauritiana, Z. nummularia and Z. spina-christi) were collected and used in the study.  The result showed that there is variation in morphological and anatomical features among the species in the stem cross-section and longitudinal section of leaves also the differences appeared in the epidermis of leaves.

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