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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 (𝐶􀬶𝑂􀬶 􀬶􀬿) 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 HOMOLUMO 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
Thu Mar 16 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis of Some New Heterocyclic Compounds Via Chalcone Derivatives
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  The chalcones 1( a,b) were prepared by the reaction of  2- acetyl benzofuran with two aromatic aldehydes in the presence of alkaline media. These chalcones are used as starting material to obtain the  desired heterocyclic: pyrazolin, isoxazoline, pyrimidinthion, pyrimidinone, cyclohexanone and indazole derivatives. The structure of newly synthesized heterocyclic compounds were established on the basis of  their melting points, elemental analysis(C.H.N), FTIR and 1HMNR (for some of them) spectral data . The synthesized compounds have been screened for their antibacterial activities, they exhibited good antibacterial activity against Escherichia coli (G-) and Staphylococus aureus (G+) . 

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Synthesis of some Schiff's bases derivatives from aminoazo compounds
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Reaction of,2- [( 4- amio phenyl ) diazenyl] 1,3,4- thiadiazole -5- thiol (S1) with p- chlorobenzeldehyde,3,4 – dimethoxy benzaldehyde and pyrrol-2- carbonxaldehyde gave -5- [{4-(4-chlorobenzylidene amino) phenyl} diezenyl]-1,3,4- thiadiazole-2- thiol (S2),5-[{ 4-[(3,4- dimethoxybenzyldene )amino phenyl ] diazenyl)-1,3,4- thiadiazole-2-thiol,(S3) and -5- [4-(1,H – pyrrol -2- yl- methylene)amino phenyl] diazenyl)-1,3,4- thiadiazole-2- thiol (S4) respectively as schiff's bases compounds. On the same route-2-[(4-amino-1- naphthyl ) diazenyl] -1,3,4- thiadiazole -5- thiol (S5) reacts with –p- chloro benzaldehyde and –m- nitrobenzaldehyde to give the follwing schiff's bases -5-[{ 4-(4- chloro benzylidene ) amino -1- naphthyl} diazenyl]

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Publication Date
Mon Jul 01 2013
Journal Name
International Journal Of Computer Applications
Mixed Convection in a Square Cavity Filled with Porous Medium with Heated Bottom Wall
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Two-dimensional unsteady mixed convection in a porous cavity with heated bottom wall is numerically studied in the present paper. The forced flow conditions are imposed by providing a hydrostatic pressure head at the inlet port that is located at the bottom of one of the vertical side walls and an open vent at the top of the other vertical side wall. The Darcy model is adopted to model the fluid flow in the porous medium and the combination effects of hydrostatic pressure head and the heat flux quantity parameters are carefully investigated. These governing parameters are varied over wide ranges and their effect on the heat transfer characteristics is studied in detail. It is found that the time required to reach a desired temperature at th

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Publication Date
Wed Jan 01 2014
Journal Name
Infection And Drug Resistance
Virulence and antimicrobial resistance of Escherichia coli isolated from Tigris River and children diarrhea
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Publication Date
Sat Jan 01 2022
Journal Name
Applied Ecology And Environmental Research
EFFECT OF SPRAYING WITH FOLIC ACID AND YEAST EXTRACT ON THE GROWTH, YIELD AND CALCIUM OXALATE CONCENTRATION OF SPINACH (SPINACIA OLERACEA L.)
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Publication Date
Tue Aug 22 2023
Journal Name
International Journal Of Biomaterials
Tribology of Coated 316L SS by Various Nanoparticles
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Background. Nanocoating of biomedical materials may be considered the most essential developing field recently, primarily directed at improving their tribological behaviors that enhance their performance and durability. In orthodontics, as in many medical fields, friction reduction (by nanocoatings) among different orthodontic components is considered a substantial milestone in the development of biomedical technology that reduces orthodontic treatment time. The objective of the current research was to explore the tribological behavior, namely, friction of nanocoated thin layer by tantalum (Ta), niobium (Nb), and vanadium (V) manufactured using plasma sputtering at 1, 2, and 3 hours on substrates made of 316L stainless steel (SS),

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Publication Date
Fri Sep 22 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Synthesis and Characterization of Some Inorganic Compounds and Study their Effect in activity of Laccase Produced by Fungal isolate Pleurotus ostreatus
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The new ligand(OBTMRZ),Bis[4-phenyl-3(2-propenyl)thio-1,2,4- triazole  -5yl] methane  was prepared and characterized by vibrational

 

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,

 

spectra  and J>hysical methods,selected metals,which  were Cu11

 

Zn 11

 

Mn11,Co11,Fe"  and  Hg11   were  reacted   with  ligand   to &

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Publication Date
Mon May 15 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Studies on the Relationship Between Chromium(III) ion and Thyroid Peroxidase Activity in Sera of Patients with Thyroid Dysfunction
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   The  objective of this study was to determine the concentration of trace element chromium(III) and thyroid peroxidase activity in human serum , and    to find a relationship between the concentration of chromium(III) and thyroid peroxidase activity in serum of patients with hypothyroidism, hyperthyroidism and healthy subjects. Serum thyroid peroxidase was measured by enzyme linked radioimmunoassay(ELISA) method and chromium determination was by atomic absorption spectrophotometer .Comparing the values of chromium concentration and thyroid peroxidase activity in both samples showed that there were significant positive correlations between chromium levels and thyroid peroxidase activity(P<0.01, r=0.11).

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Publication Date
Mon Aug 07 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
The Inhibitory Effect of Some Benzoic Acid Derivatives on Human Erythrocyte Catalase Activity
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 In order to study the kinetic of human erythrocytes catalase a well –known enzyme uses H2O2 as substrate as well as hydrogen acceptors, in non smokers and smoker individuals. Anthranilic acid and p-Amino Benzoic Acid (PABA) were used to study their effect on the enzyme. The kinetic study confirmed that anthranilic is a non-competitive inhibitor with Km values of 0.95 and 1.0 for non smokers and smokers respectively (PABA) was found to be a competitive  inhibitor with Vmax  values of 8.0 and 8.9 for nonsmoker and smoker respectively  

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Publication Date
Fri Mar 15 2024
Journal Name
Journal Of Baghdad College Of Dentistry
Assessment of the correlation between the tensile and diametrical compression strengths of 3D-printed denture base resin reinforced with ZrO2 nanoparticles
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Background: The mechanical properties of 3D-printed denture base resins are crucial factors for determining the quality and performance of dentures inside a patient’s mouth. Tensile strength and diametral compressive strength are two properties that could play significant roles in assessing the suitability of a material. Although they measure different aspects of material behavior, a conceptual link exists between them in terms of overall material strength and resilience. Aim: This study aims to investigate the correlation between tensile strength and diametral compressive strength after incorporating 2% ZrO2 nanoparticles (NPs) by weight into 3D-printed denture base resin. Methods: A total of 40 specimens (20 dumbbell-shaped and

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