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bsj-2331
Synthesis, Characterization, Antimicrobial and Theoretical Studies of V(IV),Fe(III),Co(II),Ni(II), Cu(II), and Zn(II)Complexes with Bidentate (NN) Donar Azo Dye Ligand
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The new 4-[(7-chloro-2,1,3-benzoxadiazole)azo]-4,5-diphenyl imidazole (L) have been synthesized and characterized by micro elemental and thermal analyses as well as 1H.NMR, FT-IR, and UV-Vis spectroscopic techniques. (L) acts as a ligand coordinating with some metal ionsV(IV), Fe(III), Co(II), Ni(II), Cu(II), and Zn(II). Structures of the new compounds were characterized by elemental and thermal analyses as well as FT-IR and UV-Vis Spectra. The magnetic properties and electrical conductivities of metal complexes were also determined. Study of the nature of the complexes formed in ethanol following the mole ratio method.. The work also include a theoretical treatment of the formed complexes in the gas phase, this was done using the (hyperchem-8) program for the molecular mechanics and semi-empirical calculations. The heat of formation (?Hf?), binding energy (?Eb)and total energy (?ET) for ligand and their metal complexes were calculated by (PM3) method at 298 K.The electrostatic potential of the ligand (L) was calculated to investigate the reactive sites of the molecules. PM3 were used to evaluate the vibrational and electronic spectra for the ligand (L) and their metal complexes then comparing with the experimental values. The antibacterial activity for the (L)and its metal complexes were studied against two types of pathogenic bacteria Pseudonomous aerugionosa as gram negative and Bacillus subtilis as gram positive. Furthermore, the antifungal activity against two fungi Candida albicans, and Aspergillus flavus was studied for (L) and its metal complexes.

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Publication Date
Tue Oct 30 2018
Journal Name
Iraqi Journal Of Physics
Synthesis and characterization of nanocrystalline copper sulfide powders
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Nanocrystalline copper sulphide (Cu2-xS) powders were synthesized by chemical precipitation from their aqueous solutions composed of different molar ratio of copper sulfate dehydrate (CuSO4.5H2O) and thiorea (NH2)2CS as source of Cu+2, S-2 ions respectively, and sodium ethylene diamine tetra acetic acid dehydrate (EDTA) as a complex agent. The compositions, morphological and structural properties of the nanopowders were characterized by energy dispersive spectroscopy (EDS), scanning electron microscope (SEM), and X-ray diffraction (XRD), respectively. The compositional results showed that the copper content was high and the Sulfur content was low for both CuS and Cu2S nanopowders. SEM images shows that all products consist of aggregate o

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Publication Date
Sat Nov 15 2025
Journal Name
Baghdad Science Journal
Studying the Corrosion Inhibition Ability of Metoclopramide Drug on the Copper Surface in Seawater and Theoretical Studies
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Protection study of the corrosion behavior of Copper surface was conducted with several concentrations of drug. Experimentally, voltammetric measurements were used to check the inhibition eciency (% IE) in saline solution of 3.5% NaCl. The results showed an increase in the inhibition eciency with increasing the concentration of the drug was 95.90%. Theoretical treatment of the drug in the gas phase was performed using the (hyperchem-8.07) program for molecular mechanics and semi-empirical computations. The (PM3) approach was used to determine the heat of formation (1H°f), binding energy (1Eb), and total energ

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Publication Date
Thu Sep 03 2020
Journal Name
Journal Of Public Affairs
Ethnographic research method for psychological and medical studies in light of COVID ‐19 pandemic outbreak: Theoretical approach
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Ethnographic research is perhaps the most common applicable type of qualitative research method in psychology and medicine. In ethnography studies, the researcher immerses himself in the environment of participants to understand the cultures, challenges, motivations, and topics that arise between them by investigating the environment directly. This type of research method can last for a few days to a few years because it involves in-depth monitoring and data collection based on these foundations. For this reason, the findings of the current study stimuli the researchers in psychology and medicine to conduct studies by applying ethnographic research method to investigate the common cultural patterns language, thinking, beliefs, and behavior

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Publication Date
Sat Nov 15 2025
Journal Name
Baghdad Science Journal
Studying the Corrosion Inhibition Ability of Metoclopramide Drug on the Copper Surface in Seawater and Theoretical Studies
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Protection study of the corrosion behavior of Copper surface was conducted with several concentrations of drug. Experimentally, voltammetric measurements were used to check the inhibition efficiency (% IE) in saline solution of 3.5% NaCl. The results showed an increase in the inhibition efficiency with increasing the concentration of the drug was 95.90%. Theoretical treatment of the drug in the gas phase was performed using the (hyperchem-8.07) program for molecular mechanics and semi-empirical computations. The (PM3) approach was used to determine the heat of formation (1H˚f), binding energy (1Eb), and total energy (ET

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Publication Date
Sun Mar 05 2017
Journal Name
Baghdad Science Journal
Synthesis and Modification of Some New Transition Metal Complexes of Poly (vinyl chloride)
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Theligand4-[5-(2-hydoxy-phenyl)- [1,3,4- thiadiazole-2- ylimino methyl]-1,5-dimethyl -2-phenyl-1,2-dihydro-pyrazol-3-one [HL1] is prepared and characterized. It is reacted with poly(vinyl chloride) (PVC) in THF to form the PVC-L compounds ,PVC-L interacted with ions of transition metals to form PVC-L-MII complexes .All prepared compounds are characterized by FTIR spectroscopy, u.v-visible spectroscopy, C.H.N.S. analysis and some of them by 1HNMR

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Publication Date
Sun Dec 15 2019
Journal Name
Journal Of Global Pharma Technology
synthesis and characterization of heterocyclic compounds and polymers with studying the biological activity for some of them
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This paper deals with the preparation of new monomers and polymers which including heterocyclic unit. The diacid chlorides compounds [1-3] were prepared from the reaction of glutaric acid, adipic acid, terephthalic acid with thionyl chloride. Succinic acid reacted with ethanol to produce compound [4]. Compound [4] reacted with hydrazine hydrate to obtain succinic hydrazide [5].Compound [5] reaction with CS2 and KOH in absolute ethanol to produce compound [6].The polymers [7-12] have been created by reacting diacid chlorides compounds [1-3] with compound[5] or [6] in dry pyridine with some drops of DMF. The topology of produced compounds has characterized through their spectral and analytical data as in FT-IR spectra, Thermal analysis [DSC,

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Publication Date
Wed Sep 22 2021
Journal Name
International Journal Of Corrosion And Scale Inhibition
Role of vitamin C in the protection of the gum and implants in the human body: theoretical and experimental studies
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The article describes a study on the role of vitamin C as a protective agent for the teeth, gum, and implants using quantum chemical calculations and polarization tests. The Density Functional Theory (DFT) at 6-311G (d, p) basis set is used to estimate the ability of vitamin C to inhibit the corrosion of the abovementioned parts. The experimental study was performed in a at human body media simulator (Hank’s balanced salt solution) at a temperature of 37°C. The compound was optimized for its ground state, physical properties, and corrosion parameters. Further, HOMO, LUMO, energy gap, dipole moment, and other parameters were used to predict the inhibitor’s efficiency. Gaussian 09, UCA-FUKUI, MGL tools, DSV, and LigPlus software was used

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Publication Date
Thu Dec 31 2015
Journal Name
Al-khwarizmi Engineering Journal
Synthesis and Characterization of Nano-crystalline ZSM-5 Zeolite
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Abstract

 Nano-crystalline ZSM-5 zeolite was synthesized by hydrothermal method using chelating agent and two gel compositions:Compositionɪ:Al2O3:86SiO2:5.5TPA:12.7Na2O:3.4Trien:3320H2O.Compositionɪɪ:Al2O3:68SiO2:5.4TPA:10Na2O:2.6Trien:2626H2O.Study of hydrothermal reaction factors on characteristics of nano- sized zsm-5 has been carried on ,among them are crystallization temperature, crystallization time and concentration of template ( TPAOH ) solution. Synthesis was accomplished in PTFE lined autoclave ( reactor ) . The product were characterized by X-ray diffraction ( XRD ),Atomic force microsc

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Publication Date
Sat Nov 30 2019
Journal Name
Journal Of Engineering And Applied Sciences
Theoretical Estimation of Charge Transfer Rate at Some Nitrosyl Complexes
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The charge transfer at C23H17F8N8O2PRu, C44H30BF4N5O4Ru, C56H52CL5N5OOsP2 and C76H88F80N24O11P10Ru4 nitrosyl complexes are investigation and studies theoretically using the quantum consideration. Charge transfer behavior largely rely to the electric properties of nitrosyl complexes system whose depending on the main important parameters for the transmission rate constant such that: orientation transition energy, overlapping coupling coefficient, driving force energy, height barrier and Temperature T (K). Data results have been evaluated using a MATLAB program. Results show that rate of charge transfer increases due to increases the orientation transition energy.

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Publication Date
Sat Aug 01 2020
Journal Name
Nanotechnology For Environmental Engineering
Synthesis of Ni@γ-Al2O3@PID\SiW recyclable nanocatalyst and its catalytic reduction and antibacterial activities
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