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Comparison of the structural motifs and packing arrangements of six novel derivatives and one polymorph of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine
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The crystal structures of a new polymorph and seven new derivatives of 2-(1-phenyl-1H-1,2,3-triazol-4-yl)pyridine have been characterized and examined along with three structures from the literature to identify trends in their intermolecular contact patterns and packing arrangements in order to develop an insight into the crystallization behaviour of this class of compound. Seven unique C-H...X contacts were identified in the structures and three of these are present in four or more structures, indicating that these are reliable supramolecular synthons. Analysis of the packing arrangements of the molecules using XPac identified two closely related supramolecular constructs that are present in eight of the 11 structures; in all cases, the structures feature at least one of the three most common intermolecular contacts, suggesting a clear relationship between the intermolecular contacts and the packing arrangements of the structures. Both the intermolecular contacts and packing arrangements appear to be remarkably consistent between structures featuring different functional groups, with the expected exception of the carboxylic acid derivative 4-(4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl) benzoic acid (L11), where the introduction of a strong hydrogen-bonding group results in a markedly different supramolecular structure being adopted. The occurrence of these structural features has been compared with the packing efficiency of the structures and their melting points in order to assess the relative favourability of the supramolecular structural features in stabilizing the crystal structures.

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Publication Date
Sat Jun 30 2012
Journal Name
Iraqi Journal Of Chemical And Petroleum Engineering
Phenyl Thiourea as Corrosion Inhibitor for Mild Steel in Strong Hydrochloric Acid
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The inhibitive action of Phenyl Thiourea (PTU) on the corrosion of mild steel in strong Hydrochloric acid, HCl, has been investigated by weight loss and potentiostatic polarization. The effect of PTU concentration, HCl concentration, and temperature on corrosion rate of mild steel were verified using 2 levels factorial design and surface response analysis through weight loss approach, while the electrochemical measurements were used to study the behavior of mild steel in 5-7N HCl at temperatures 30, 40 and 50 °C, in absence and presence of PTU. It was verified that all variables and their interaction were statistically significant. The adsorption of (PTU) is found to obey the Langmuir adsorption isotherm. The effect of temperature on th

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Publication Date
Sun Aug 06 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Determination of pKa and Thermodynamic Data of Some Schiff Bases Derived From 4,6-Dimethyl 2-Amino Pyrimidine
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Acid dissociation constants of some Schiff bases derived from 4, 6-dimethyl 2-amino pyrimidine of the type (1) in 50% V/V dioxane-water mixture in 0.003M KCl, at three different temperatures were determined potentiometrically. The thermodynamic energies were calculated and a good linear correlation was obtained between pKa and IR OH. Stretching frequencies.

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Publication Date
Sun Sep 02 2012
Journal Name
Baghdad Science Journal
Preparation , charactarazition and biological activity of some complexes of potassium 2-carbomethoxy amino-5- trithiocarbonate 1,3,4-thiadiazole
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In this study a new ligand ,(potassium 2-carbomethoxy amino-5-trithiocarbonate 1,3,4-thiadiazole) (L) has been prepared from 2-carbomethoxy amino-5-mercapto 1,3,4-thiadiazole with CS2 in alkali media . The product has been isolated and characterized by appropriate physical measurements, vibrational and electronic spectroscopy. The ligand was used to prepare a number of complexes with some metal ions Co(II), Ni(II) and Cu(II). These complexes have been characterized by FT-IR, UV-Vis spectra, molar conductivity, magnetic susceptibility, melting points and atomic absorption measurements. The nickel and copper complexes have an octahedral geometry while cobalt complex has a tetrahedral geometry. The nature of bonding between the metal ion

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Publication Date
Mon Oct 03 2022
Journal Name
The Egyptian Journal Of Hospital Medicine
Comparative Study of Sclerostin and Lipid Profile in Type 2 Diabetic Patients of Iraqi Women with Osteoporosis
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Background: Chronic hyperglycemia is the most frequent diabetes-related metabolic disorder because of faulty insulin action or production. According to the WHO, osteoporosis is a progressive systemic skeletal disorder that decreases bone mass and micro architecture bone tissue, increasing bone fragility and fracture risk. Nervosa damage determines how much a diabetic's body is damaged. Objective: The current work aimed to examines age, BMI, HbA1c, fasting blood glucose, sclerostin, and lipid profiles (TC, TG, HDL-C, VLDL-C, and LDL-C) in Iraqi T2DM menopausal women with /without osteoporosis to detect biomarkers in such condition. Subjects and Methods: 120 subjects were included in this study. They were divided into 3 groups; Group 1 (N = 4

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Publication Date
Mon Jan 17 2011
Journal Name
مجلة كلية التربية
Synthesis and Characterization of Complexes of [(N,N- -Bis(2- Hydroxy Ethyl) Glycine] with Some Metal Salts
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Some transition metal ions (Cr +3, Co+2 , Ni+2,Cu+2, Zn+2,Ag + ,Cd+2 ) complexes of [(N, N- - Bis(2- hydroxy ethyl) Glycine] (Bicine) have been synthesized and characterized by FTIR ,UV-Visble spectroscopy, atomic absorption, magnetic susceptibility, conductivity measurements and study of the nature of the complexes formed in ethanolic solution following the moleratio method. From the results obtained the following general formola have been given for the prepared complexes [M m+ (Bicine)n]. XH2O

Publication Date
Sat May 01 2010
Journal Name
Journal Of Baghdad College Of Dentistry
Comparison of microleakage Restorative Dentistry Comparison of microleakage in three different retrograde cavity preparations with Mineral Trioxide Aggregate as filling material
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Background: The apical seal is the single most important factor in determining the success of surgical endodontics, the aim of this study was to compare the sealing ability of Mineral Trioxide Aggregate in three different cavity designs. Materials and Methods: Thirty extracted human single-rooted teeth were divided into three groups of ten teeth per group, a retrograde cavity preparation was carried out using a low speed handpiece and round bur with parallel walls in the first group, ultrasonic retrotip and unit in the second group and a low speed handpiece with a carbide inverted cone bur with undercuts in the third group, all the cavities were filled with MTA. microleakage was measured by dye penetration technique using methylene blue. Re

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Publication Date
Sun Jan 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
New Nanocomposite Derivatives From Thiadiazole Polymers /Silica Synthesis and Characterization using Free Radical Polymerization
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A new class of thiadiazole /silica nanocomposites with chemical bonds between thiadiazole monomers and modified nanosilica surface were synthesized by free radical polymerization. Presence silica nanoparticles in the structure of  nanocomposite showed effectively improve the physical and chemical properties of Producing polymers. A nanocomposite material with feature properties comparison with their polymers, The structure and morphology of the synthesis materials were investigated by FT-IR spectrum which display preparation new thiadiazole compounds and polymerization monomers. FT-IR showed disappeared double bond (C=C) of monomers, due to produce long chains of thiadiazole polymers and nanocomposite. X-ray diffraction gave idea ab

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Publication Date
Wed Apr 09 2014
Journal Name
Chemical And Process Engineering Research
Analytical Profile of 4 - (4-Nitro Benzene Azo) - 3 - Amino Benzoic Acid on a Surface of Natural Granulated Calcined Iraqi Montmorillonite Clay Mineral, via Columnar Method
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The adsorption ability of Iraqi initiated calcined granulated montmorillonite to adsorb of 4-(4-Nitrobenzeneazo) 3-Aminobenzoic Acid from aqueous solutions has been investigated through columnar method. The azo dye adsorption found to be dependent on adsorbent dosage, initial concentration and contact time. All columnar experiments were carried out at three different pH values (5.5, 7and 8) using buffer solutions at flow rate of (3 drops/ min.), at room temperature (25±2) °C. The experimental isotherm data were analyzed using Langmuir, Freundlich and Temkin equations. The monolayer adsorption capacity is 6.4066 mg Azo ligand per 1g calcined Montmorillonite. The experiments showed that highest removal rate 90.5 % for azo dye at pH 5.5.The

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Publication Date
Mon Apr 01 2024
Journal Name
Iraqi Journal Of Applied Physics
Structural and Electrochemical Characterization of ITO Electrode Modified by f- MWCNT/graphene/polypyrrole Nanocomposite Decorated by Gold Nanoparticles
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There is currently a pressing need to create an electro-analytical approach capable of detecting and monitoring genosensors in a highly sensitive, specific, and selective way. In this work, Functionalized Multiwall Carbon Nanotubes, Graphene, Polypyrrole, and gold nanoparticles nanocomposite (f-MWCNTs-GR-PPy-AuNP) were effectively deposited on the surface of the ITO electrode using a drop-casting process to modify it. The structural, morphological, and optical analysis of the modified ITO electrodes was carried out at room temperature using X-ray diffraction (XRD), field emission scanning electron microscopy (FE-SEM) images, atomic force microscopy (AFM) and Fourier transform infrared (FTIR) spectra. Cyclic voltammetry (CV) and electrochemi

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Publication Date
Tue Feb 28 2023
Journal Name
Iraqi Geological Journal
Orogenic Gold Deposit in Metamorphic Rocks: Minerals and Structural Control at Rarowatu Area, Southeastern Arm of Sulawesi, Indonesia
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This research aims to examine the relationship between hydrothermal alteration and mineralization (ore mineralogy) in the study area and geological structures in the deformation mechanism. The hydrothermal alteration was determined based on petrographic analysis, and ore mineralogy which was determined based on the ore microscopic analysis. The deformation mechanism is determined by paleo stress analysis using win-tensor, and the direction of principal stress on joints/veins and faults is calculated by the right-dihedron method. Hydrothermal alteration includes silicification, argillic, propylitic, and phyllic alterations; and ore mineralogy consists of stibnite, cinnabar, pyrite, chalcopyrite, sphalerite, covellite, hematite, and a

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