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Synthesis, characterization, experimental and theoretical structure of novel Dichloro(bis{2-[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-ylkN3] pyridine-kN})metal(II) compounds, metal ¼ Mn, Co and Ni
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The syntheses, characterizations and structures of three novel dichloro(bis{2-[1-(4-methoxyphenyl)-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II), [M(L)2Cl2], complexes (metal = Mn, Co and Ni) are presented. In the solid state the molecules are arranged in infinite hydrogen-bonded 3D supramolecular structures, further stabilized by weak intermolecular π…π interactions. The DFT results for all the different spin states and isomers of dichloro(bis{2-[1-phenyl-1H-1,2,3-triazol-4-yl-κN3]pyridine-κN})metal(II) complexes, [M(L1)2Cl2], support experimental measurements, namely that (i) d5 [Mn(L1)2Cl2] is high spin with S = 5/2; (ii) d7 [Co(L1)2Cl2] has a spin state of S = 3/2, (iii) d8 [Ni(L1)2Cl2] has a spin state of S = 1; and (iv) for all [M(L1)2Cl2] and [M(L)2Cl2] complexes, with M = Mn, Co and Ni, the cis-cis-trans and the trans-trans-trans isomers, with the pyridyl groups trans to each other, have the lowest energy.

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Publication Date
Wed Mar 01 2023
Journal Name
Journal Of Semiconductors
Bilayer MSe<sub>2</sub> (M = Zr, Hf, Mo, W) performance as a hopeful thermoelectric materials
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Abstract<p>Significant advancements in nanoscale material efficiency optimization have made it feasible to substantially adjust the thermoelectric transport characteristics of materials. Motivated by the prediction and enhanced understanding of the behavior of two-dimensional (2D) bilayers (BL) of zirconium diselenide (ZrSe<sub>2</sub>), hafnium diselenide (HfSe<sub>2</sub>), molybdenum diselenide (MoSe<sub>2</sub>), and tungsten diselenide (WSe<sub>2</sub>), we investigated the thermoelectric transport properties using information generated from experimental measurements to provide inputs to work with the functions of these materials and to determine the </p> ... Show More
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Publication Date
Tue Dec 15 2020
Journal Name
Al-academy
Novel Coronavirus Pandemic as it is Expressed by Children in Their Drawings On-line: An Analytical Study: نزار بن صالح أحمد عبد الحفيظ
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This study aimed at identifying how children express the emerging coronavirus in general and according to their age groups (4-13 years) by analyzing 91 of their drawings published online, using the descriptive content analytical approach. The results showed that children's artistic expression of the virus came according to the concepts and ideas they carried about the virus for the age groups of (4-7 years) and (7-9 years), while it came according to visual perception for age groups (9-11 years), and from (11-13) years. Also, most children were aware about the presence of the virus and its widespread around the world, but (99%) of them do not realize the seriousness of the virus. It was confirmed that between (25-34%) of children were su

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Publication Date
Mon Oct 01 2018
Journal Name
Iraqi Journal Of Physics
Synthesis of gold nanoparticles by laser ablation on porous silicon for sensing CO2 gas
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In this research, porous silicon (PS) prepared by anodization etching on surface of single crystalline p-type Si wafer, then Gold nanoparticle (AuNPs) prepared by pulsed laser ablation in liquid. NPs deposited on PS layer by drop casting. The morphology of PS, AuNPs and AuNPs/PS samples were examined by AFM. The crystallization of this sample was characterized by X-ray diffraction (XRD). The electrical properties and sensitivity to CO2 gas were investigated to Al/AuNPs/PS/c-Si/Al, we found that AuNPs plays crucial role to enhance this properties.

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Publication Date
Tue Jan 01 2013
Journal Name
International Journal Of Advances In Pharmacy, Biology And Chemistry
Synthesis of NSAID with Sulfonamide Conjugates as Possible Mutual Prodrugs using Amino Acid Spacer
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The purpose of this research work is to synthesize conjugates of NSAIDs (ibuprofen, and naproxen) with sulfadiazine as possible mutual prodrugs to overcome the local gastric irritation of NSAIDs with free carboxyl group by formation of ester linkage that supposed to remain intact in stomach and may hydrolyze in intestine chemically or enzymatically; in addition to that attempting to target the synthesized derivative to the colon by formation of azo bond that undergo reduction only by colonic bacterial azoreductaze enzyme to liberate the parent compound to act locally (treatment of inflammation and infections in colon)

Publication Date
Sun Jun 21 2020
Journal Name
Baghdad Science Journal
Synthesis of Carbon Nano Rods from Plastic Waste (PP) Using MgO AS A Catalyst
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    In this research, CNRs have been synthesized using pyrolysis of plastic waste(pp) at 1000 ° C for one hour in a closed reactor made from stainless steel, using magnesium oxide (MgO) as a catalyst. The resultant carbon nano rods were purified and characterized using energy dispersive X-ray spectroscopy (EDX), X-ray powder diffraction (XRD). The surface characteristics of carbon rods were observed with the Field emission scanning electron microscopy (FESEM). The carbon was evenly spread and had the highest concentration from SEM-EDX characterization. The results of XRD and FESEM have shown that carbon Nano rods (CNRs) were present in Nano figures, synthesized at 1000 ° C and with pyrolysis temperature 400° C. One of t

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Publication Date
Tue Feb 01 2022
Journal Name
Macromolecular Symposia
Synthesis of 5‐Fluorouracil–Naproxen Conjugates as a Mutual Prodrug for Targeting Cancer Tissues
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Abstract<p>A new 5‐fluorouracil–naproxen conjugate is synthesized as a mutual prodrug for targeting cancer tissues. The structure of the target compound and their intermediate are characterized by their melting point, IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR, and elemental microanalysis. The cytotoxic activity is preliminarily evaluated using nonsmall lung cancer CRL‐2049, human breast cancer CAL‐51, and one type of normal cell line; rat embryo fibroblast cell line. The synthesized compound shows a good cytotoxic effect at the cancer cell and no significant effect at rat embryo fibroblast cell line.</p>
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Publication Date
Tue May 01 2018
Journal Name
Journal Of Physics: Conference Series
Synthesis of ZnS Quantum Dots for QDs-LED hybrid device with different cathode materials
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Publication Date
Mon Oct 03 2022
Journal Name
Physica Scripta
Radiation shielding properties of Cd-Bi-Pb-Zn-borate glasses: influence of Bi<sub>2</sub>O<sub>3</sub> activation
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Abstract<p>We report the detail characterizations and <italic>γ</italic>-radiation protecting characteristics of some new types of cadmium (Cd)-bismuth (Bi)-lead (Pb)-zinc (Zn)-borate glasses of the form (70-x)B<sub>2</sub>O<sub>3</sub>-10ZnO-10PbO-10CdO-xBi<sub>2</sub>O<sub>3</sub> (with x = 0 to 20 mol%) synthesized via melt-quenching process. The influence of various Bi<sub>2</sub>O<sub>3</sub> contents on the <italic>γ</italic>-radiation shielding traits of the obtained glass samples was evaluated by exposing them at different <italic>γ</italic>-ray energies (0.356, 0.662, 1.173, and 1.33 MeV) whic</p> ... Show More
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Publication Date
Wed Apr 01 2020
Journal Name
Canadian Journal Of Physics
Influence of the variation in the Hubbard parameter (<i>U</i>) on activation energies of CeO<sub>2</sub>-catalysed reactions
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Accurate description of thermodynamic, structural, and electronic properties for bulk and surfaces of ceria (CeO2) necessitates the inclusion of the Hubbard parameter (U) in the density functional theory (DFT) calculations to precisely account for the strongly correlated 4f electrons. Such treatment is a daunting task when attempting to draw a potential energy surface for CeO2-catalyzed reaction. This is due to the inconsistent change in thermo-kinetics parameters of the reaction in reference to the variation in the U values. As an illustrative example, we investigate herein the discrepancy in activation and reaction energies for steps underlying the partial and full hydrogenation of acetyl

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Publication Date
Thu Feb 01 2024
Journal Name
Baghdad Science Journal
Polyaniline Nano Films Synthesis in One Step via Chemical Oxidative Polymerization
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Polyaniline films were successfully synthesized in this study using an oxidative polymerization method at temperatures ranging from 0 to 4 ° C. Polyaniline films were deposited using a single step of chemical oxidative polymerization rather than electrochemical polymerization. The polyaniline was examined using FTIR, XRD, SEM, AFM, and Four Point Probe. This result demonstrates that polyaniline synthesized using this method has a uniform morphology, small size (17 to 40) nm, high crystallinity, and high conductivity (9.42 s/cm).

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