Metal complexes of Cu (II), Fe (III) and Mn (II) with Quinaldic acid (L1) and 1, 10-Phenathroline (L2) are synthesized and characterized by standaral physic- chemical procedures (element analysis, metal analysis, FTIR, Uv-Vis, magnetic moment and conductometeric measurements). On the base of these studies, mononuclear and six coordinated octahedral geometry and nonelectrolyte of these complexes have been proposed. The standard heat of formation (?Hºf) and binding energy (?Eb) for the free ligands and their complexes are calculated by using the PM3 method at 273K of Hyperchem.-8 program. The complexes are more stable than their ligands. Moreover, the electrostatic potential of free ligands are measured to investigate the reactive site of the molecules, PM3 is used to evaluate the vibrational spectra of the free ligands, the frequencies are obtained approximately agreed with those values experimentally found; in addition, the calculation helps to assign clearly the most diagnostic bands .
The aim of this study is to show the concepts of nuclear shape and the geometrical picture to the even-even nuclei of 164,166,168E isotopes in the context of the Interacting boson Model IBM-1. The energy spectra were calculated and the effective charge values (eB) of the electromagnetic transition strength were obtained and used to calculate the B(E2) values of the electromagnetic transitions and the quadrupole moment Q of 2+ -states. The Hamiltonian parameters were calculated by taking in account the properties of these nuclei. Comparison were made with the available experimental data and included in tables. The geometrical picture of these nuclei were looked at by calculating the deformation which were represented by the potentia
... Show MoreObjective: Synthesized a series of new thiourea (TU) derivatives, tested their antioxidant activity, and investigated their expected biological activity by theoretical study (computational methods). Methods: The derivatives were made using a one-pot reaction with two steps. Initially, succinyl chloride was mixed with KSCN to make succinyl isothiocyanate. Then, primary and secondary amines were used to make TU derivatives. The theoretical studies were done by Swiss ADME and molecular docking via Genetic Optimization of Linkage Docking (GOLD). Then evaluate antioxidant activity using the DPPH scavenging method. Results: FT-IR, 1H NMR, and 13C NMR spectroscopy show the verification of all the prepared derivatives. Compounds (II), (VIII),
... Show MoreSchiff bases (SBs) based on amino acid derivative stand for multipurpose ligands that formed by condensing amino acids with carbonyl groups. They are significant in pharmaceutical and medical areas due to their widespread biological actions such as antiseptic, antifungal, along with antitumor actions. Transition metallic complexes resulting from SB ligands with biological activity were extensively experimented in the literature. In this article, we review, in details, about synthesizing and biological performances of SBs along with its complexes.
BACKGROUND: Clavicle fractures are common injuries in young active individuals, the mid third of the clavicle is most commonly fractured part(80% of clavicle fracture) OBJECTIVE: To compare the outcomes of operative and non operative management of displaced and or comminuted closed fracture of the mid third of clavicle in young adults PATIENTS AND METHODS: This prospective observational study of 24 patients of fracture of the mid third of the clavicle was conducted in Alkindy teaching hospital from July 2015 to January 2017 and divided into two groups; one managed by operative treatment with plate and screws and the other by non operative sling immobilization after taking the consent and the patients were seen at 2, 4, 6 weeks,3, 6, and 9 m
... Show MoreThis work includes the synthesis of new ester compounds containing two 1,3,4-oxadiazole rings, 15a-c and 16a-c. This was done over seven steps, starting with p-acetamido-phenol 1 and 2-mercaptobenzoimidazole 2. The structure of the products was determined using FT-IR, 1H NMR, and mass spectroscopy. The evaluation of the antimicrobial activities of some prepared compounds was achieved against four types of bacteria (two types of gram-positive bacteria; Staphylococcus aureus and Bacillus subtilis, and two types of gram-negative bacteria, Pseudomonas aeruginosa and E. Coli), as well as against one types of fungus (C. albino). The results show moderate activit against the study bacteria, and the theoretical analysis of the toxi
... Show More Measurement of stability constant of some complexes formed by (6-(2-amino-2-(4hydroxy phenyl)-acetamido)-3,3-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3,2,0] heptanes-2carboxylic acid (Amoxicillin) with (Cr+3, Co+2, Ni+2, Cu+2,Ag+1, and Cd+2) ions, have been performed(Amoxicillin) was found to behave as bidentate ligand with ahardness parameter(α)of (0.46)and asoftness parameter(β)of (1.03) while complexes being formed were of (1:1)ratio.
This work includes synthesis of some new derivatives of Schiff bases as intermediate compounds. Through the reaction 1,4- phen ylene diamine with different aromatic aldehydes substituted by many different groups in acidic medium and absolute ethanol as a solvent to obtain the Schiff bases (1a-5a). These compounds are reacted with substituted aromatic carboxylic acids and anhydride to give three types of heterocyclic compounds. The first line includes direct reaction with maleic anhydride under certain conditions to give new derivatives of oxazpine(6b-10b). The second line includes reaction of compounds (1a-5a) with 2-mercapto benzoic acid in the presence of triethyl amine as a catalyst and dry benzene as a solvent to give new derivatives
... Show MoreApplication of pesticide on vegetables will protect them from pest injury, but in another hand will hold pesticide residues inside vegetables. These residues have harmful effect against all consumers. Detection about pesticide residues has been carried out for some Iraqi vegetables (tomato, cucumber, eggplant, and zucchini) by using Gas Chromatography/Mass Spectroscopy (GC/MS). (Quick, Easy, Cheap, Effective, Rugged, and Safe) QuEChERS method has been applied for extraction pesticide residues from targeted vegetables. The GC/MS has been carried out before the treatment of residues for distinguish the vegetables that are suffering from hyper concentration in pesticide residues more than maximum residues limits (MRLs). Three kinds of solut
... Show MoreNew complexes of first series of transition metals with P-amino benzene dithiocarbamate of the general formula [M(PABdtc)2] and [ M(PABdtc)2(L)n] M=Fe( ІІ ),Co( ІІ ),Ni( ІІ ) ,Cu(ІІ) and Zn (ІІ). PABdtc = Paraamino benzene dithiocarbamate ,n=2 when L= Py,ɣ-Pic,iso qunoline ,3,5lutidine n=1when L=1,10-phenanthroline, en, 2,-2bipy.and the type(R)4N[Ni(PABdtc)3] R= methyl, ethyl are prepared. Physico chemical characterization of these complexes was applied using magnetic susceptibility measurements, molar conductance , Infrared and electronic spectra, Metal content measurements, molar conductance indicate complexes of the type [M(PABdtc)2] and [M(PABdtc)2(L)n] are non-electrolyte
... Show MoreA mathematical model was proposed to study the microkinetics of esterification reaction of oleic acid with ethanol over prepared HY zeolite catalyst. The catalyst was prepared from Iraqi kaolin source and its properties were characterized by different techniques. The esterification was done under different temperature (40 to 70˚C) with 6:1 for molar ratio of ethanol to oleic acid and 5 % catalyst loading.
The microkinetics study was done over two period of time each period was examined individually to calculate the reaction rate constant and activation energy. The impact of the mass transfer resistance to the reactant was also investigated; two different studies have been accomplished to do this purpose.
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