New Schiff-base ligand and metal complexes with Cr (Ш), Mn (II), Fe (II), Co (II), Ni (II) and Cu (II) ions are reported. Ligand was prepared in two-step reaction. The reaction of 2-hydroxy-5-methylisophthalaldehyde with 3-Amino-1-propanol resulted in the isolation of precursor (3, 3'-((1E, 1'E)-(propane-1, 3-diylbis (azanylylidene)) bis (methanylylidene)) bis (2-hydroxy-5-methylbenzaldehyde)). The reaction of precursor with 4-Aminoantipyrine gave the required ligand;(4, 4'-(((1E, 1'E)-(((1E, 1'E)(propane-1, 3-diylbis (azanylylidene)) bis (methanyl ylidene)) bis (2-hydroxy-5-methyl-3, 1-phenylene)) bis (methanylylidene)) bis (azanyl ylid ene)) bis (1, 5-dimethyl-2-phenyl-1, 2-dihydro-3H-pyrazol-3-one)) H 2 L. The reaction of this ligand with the appropriate metal ions gave metal complexes of the formulae [M 2 (L)(H 2 O) 2 Cl 2]. Cl 2, M= Cr (Ш),[M 2 (L) Cl 2 (H 2 O) 2], M= Mn (II), Fe (II),[M 2 (L)] Cl 2. H 2 O, M= Co (II), Ni (II),[M 2 (L) Cl 2] H 2 O, M= Cu (II). A range of techniques were used to confirm the entity of ligand and their complexes. The formation of ligand and mode of complexation and geometrical structure of complexes were verified using FTIR, electronic spectra, NMR, ESMS, magnetic susceptibility, micro-elemental analysis, metal content, chloride content and conductance. The analytical and spectroscopic data indicated the formation of four and six-coordinate for complexes. Biological evaluation of ligand and complexes against gram-positive bacteria (G+), Bacillus stubtili, Staphylococcus aureus, and gram-negative bacteria (G−), Escherichia coli and Pseudomonas aeruginosa and compared with antibiotic drug (Cefotaxime) and two types of
This research investigated the effect of adding two groups of reinforcement materials, including bioactive materials Hydroxyapatite (HA) and halloysite nanoclay and bioinert materials Alumina (AL2O3) and Zirconia (ZrO2), each of them with various weight ratios (1,2,3,4 &5)% to the polymer matrix PMMA. The best ratios were selected, and then a hybrid was preparing Composite red from the best ratios from each group. Thermal properties, including thermal conductivity and Thermomechanical Analysis (TMA) technology, have been studied. The results showed that adding 3% Hydroxyapatite (HA) and 5% halloysite nanoclay to the polymethacrylate (PMMA) mer leads to an increase in thermal conductivity. It was also found from the Thermomechanical Analysis
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This work reports the study of heat treatment effect on the structural, morphological, optical and electrical properties of poly [3-hexylthiophene] and its blend with [6,6]-phenyl C61 butyric acid methyl ester ( P3HT:PC61BM). X-ray diffraction (XRD) measurements show that the crystallinity of the films increased with annealing. The evaluation of surface roughness and morphology was investigated using atomic force microscope (AFM), and field emission scanning microscope(FESEM). The optical properties were emphasized a strong optical absorption of P3HT compared with the blend. Hall effect measurement was used to study the electrical properties which revealed there is an increase in the electrical conductivity and Hall mobility of th
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This research studied the effects of modified BaTiO3 (BT) nanoparticles with coupling agent γ-APS (0.5wt. %) on the tensile and thermal conductivity of epoxy nanocomposites with respect to content (0.25, 0.5, 0.75, 1, 3 and 5wt. %). Multiwall carbon nanotubes (MWCNTs) at different concentration (0.2, 0.4, 0.8 and 1 wt. %) were added to the BaTiO3/epoxy nanocomposites. The influence of MWCNTs on the tensile properties and thermal conductivity was investigated. The tensile strength and Young’s modulus of BaTiO3/epoxy nanocomposites film were increased at up to 3 wt. % of added BT, but adding BT at more than 3 wt.% decreased the strength of epoxy. The tensile strength was increased with incre
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The spectroscopic properties, potential energy curve, dipole moments, total charge density, Electrostatic potential as well as the thermodynamic properties of selenium diatomic halides have been studied using code Mopac.7.21 and hyperchem, semi-empirical molecular orbital of MNDO-method (modified neglected of differential overlap) of parameterization PM3 involving quantum mechanical semi-empirical Hamiltonian. The relevant molecular parameters like interatomic distance, bond angle, dihedral angle and net charge were also calculated.
This study was achieved to satisfy two goals, the first of which is to treat an environmental problem represented by the disposal of date seeds, and the second is the use of these wastes to improve some mechanical and thermal properties of poly methyl methacrylate PMMA through strengthening different proportions of the powder of date seeds.
Particles of date seeds were used as a natural strengthening material for PMMA polymer, by mixing the matrix material (resin) with the hardener while still stirring continuously for a period of 10 min. After that, the samples of the reinforced material were prepared by adding the powder of date seeds, which is the reinforcing substance, with different percentages of weight fraction (0, 0.5, 1,
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New polydentate ligand namely bis(N-carboxylatoethyl)-0,0`-dipyridinium) L was synthesised from the reaction of 0,0`-dipyridine with ethyl chloropropionate. Polymeric complexes of general formulae [Cr2(L)(N3)0]Cl2.H2O, Na2[Ag2(L)(N3)0].H2O and [M2(L)(N3)0].nH2O, where (M= Mn(II), Fe(II), Co(II), Ni(II), Cu(II), Zn(II) and Cd(II); (where n = 2;1;1;1;4;1 and 1, respectively)) are reported. The mode of bonding and overall geometry of the complexes were determined through physico-chemical and spectroscopic methods. These studies revealed octahedral geometry complexes. Molecular structure for the complexes has been optimised by CS Chem 3D Ultra Molecular Modelling and Analysis Program and supported a six coordinate geometry.
Density functional theory (DFT) calculations were used to evaluate the capability of Glutamine (Gln) and its derivative chemicals as inhibitors for the anti-corrosive behavior of iron. The current work is devoted to scrutinizing reactivity descriptors (both local and global) of Gln, two states of neutral and protonated. Also, the change of Gln upon the incorporation into dipeptides was investigated. Since the number of reaction centers has increased, an enhancement in dipeptides’ inhibitory effect was observed. Thus, the adsorption of small-scale peptides and glutamine amino acids on Fe surfaces (1 1 1) was performed, and characteristics such as adsorption energies and the configuration with the highest stability and lowest energy were ca
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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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