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Synthesis, DFT Calculations, DNA Interaction, and Antimicrobial Studies of Some Mixed Ligand Complexes of Oxalic Acid and Schiff Base Trimethoprim with Various Metal Ions
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Mixed ligand metal complexes are synthesized from oxalic acid with Schiff base, and the Schiff base was obtained from trimethoprim and acetylacetone. The synthesized complexes were of the type [M(L1)(L2)], where the metal, M, is Ni(II), Cu(II), Cr(III), and Zn(II), L1 corresponds to the trimethoprim ((Z)-4-((4-amino-5-(3,4,5- trimethoxybenzyl)pyrimidine-2-yl)imino)pentane-2-one) as the first ligand and L2 represent the oxalate anion (𝐶􀬶𝑂􀬶 􀬶􀬿) as a second ligand. Characterization of the prepared compounds was performed by elemental analysis, molar conductivity, magnetic measurements, 1H-NMR, 13C-NMR, FT-IR, and Ultraviolet-visible (UV-Vis) spectral studies. The recorded infrared data is reinforced with density functional theory (DFT) calculations. Also, the recorded and calculated IR spectra of the complexes suggested that the coordination of Schiff base is a bidentate ligand with Cu and Ni complexes and a tridentate ligand with Co, Cr, and Zn complexes. The electronic structures of the complexes were investigated by DFT calculations, showing several degrees of HOMOLUMO energy gaps between complexes. The complexes were studied for their DNA interaction activities. The synthesized ligand and its metal complexes were evaluated for antimicrobial properties against bacterial strains of Bacillus subtilis (G+), Enterobacter cloacae (G-), and Staphylococcus aureus (G+). These complexes considered in this study showed good antimicrobial activity.

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Publication Date
Mon Jun 26 2017
Journal Name
Journal Of Contemporary Medical Sciences
Antimicrobial effect of probiotic Lactobacillus spp. on Pseudomonas aeruginosa
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Publication Date
Sun Mar 01 2009
Journal Name
Baghdad Science Journal
Effect of leaves Extracts of Duranta repens on growth and activity of some types of Pathogenic Bacteria and Some types of Fungi
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A study were conducted to examinate the effect of organic and aqueous (Hot, Cold) Extracts from leaves of Duranta repens on the growth and activities of the following types of Bacteria:- Staphylococcus aureus,Streptococcus pyogens ,Escherichia coli,Klebsilla pneumonia, in addition to the yeast Candida albicans and the fungi Aspergullis niger ,Aspergulls flavus.The result showed that gram Positive Bacteria is more sensitive to the extracts than gram negative bacteria with Minimum inhibitory concentration (MIC) value (50,25,50,100)% and Minimum Bactericidal Concentration (MBC) value (100,50,200,100)% for all types Bacteria respectively . The most active extract against A.niger ,A,flavus was cold and hot aqueous extract from the leaves with d

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Publication Date
Sun Dec 05 2010
Journal Name
Baghdad Science Journal
Immunoglobulins assessment (IgE,G,A,M) in some Iraqi patients with acute and chronic urticaria
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60 patients diagnosed as having urticaria were included in the study ; 30 patients were effected with acute urticaria and 30 patients were affected with chronic urticaria. In addition, 30 healthy adult volunteers were selected as control group .The patients and control groups sera were examined with enzyme linked immunosorbent assay ( ELISA) to detect total level IgE and radial immunodiffusion (RID) to detect levels of IgG , IgA and IgM . The total level of IgE in acute urticaria ( 1.45±0.13) IU/mL and chronic urticaria (2.12 ± 0.10) IU/mL patients were significantly higher than the control groups ( 0.85 ± 0.10)IU/mL (p<0.05). The level of IgG in acute urticaria ( 12.5± 0.42) g/L and chronic (13.16±0.40) g/L patients , IgA in acute (2.

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Publication Date
Wed Mar 10 2021
Journal Name
Baghdad Science Journal
Synthesis & Characterization of Oxazinan and 5-oxa-7-aza-spiro[2,5] octane from reaction of Dibenzylidene with malonic anhydride and 5-oxa-spiro[2,3] hexane-4,6-dione.
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Di Benzylidenes were prepared by condensation of 1,2-diamino benzene with o- hydroxy benzaldehyde. These dibenzylidenes when treated with one equivalent of malonic anhydride or 5-oxo-spiro[2,3]hexane-4,6-dione in dry benzene give 6-membered heterocyclic ring system of 3-{2-[(2-Hydroxy-benzylidene)-amino]-phenyl}-2-(2-hydroxy –phenyl)-[1,3]oxazinane-4,6-diones ( 1-3) or 7-{2-[(2-hydroxy-benzylidene)-amino]-phenyl}-6-(2-hydroxy-phenyl)-5-oxa-7-aza-spiro[2.5]octane-4,8-diones ( 7- 9 ) But when two equivalents of malonic anhydride or 5-oxo-spiro[2,3]hexane-4,6-dione were used and under sam conditions compounds (4-6 , 10-12 ) were obtained .

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Publication Date
Thu Feb 01 2024
Journal Name
Iop Conference Series: Earth And Environmental Science
Survey of Insects Associated with some Species of Cucurbitaceae in Iraq
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Abstract<p>Due to the spread of insect pests that destroys the crops belonging to the Cucurbitaceae family and led to deterioration in crop productivity in Iraq due to various reasons, the most important of which is Climate fluctuation and extreme weather events have a major impact on this problem. So, this paper was proposed to identify those species pests and prevalence. Insects were collected during the period from March 1. 2022 to October 30, 2022 from the several regions of Iraq, including: Baghdad, Babylon, Basra, Karbala, Wasit, Diyala, Saladin, and Duhok Provinces. The results showed 19 important species under 17 genera with 13 families, and five orders. The most common synonyms and dist</p> ... Show More
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Publication Date
Sat Apr 01 2023
Journal Name
Baghdad Science Journal
A Theoretical Study of the Docking of Medicines with some Proteins
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A set of ten drug compounds containing an amino group in the structure were determined theoretically. The parameters were entered into a model to forecast the optimal values of practical (log P) medicinal molecules. The drugs were evaluated theoretically using different types of calculations which are AM1, PM3, and Hartree Fock at the basis set (HF/STO-3G). The Physico-chemical data like (entropy, total energy, Gibbs Free Energy,…etc were computed and played an important role in the predictions of the practical lipophilicity values. Besides, Eigenvalues named HOMO and LUMO were determined. Linearity was shown when correlated between the experimental data with the evaluated physical properties. The statistical analysis was used to analy

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Publication Date
Sat Dec 01 2018
Journal Name
Fuel
Biodiesel from batch and continuous oleic acid esterification using zeolite catalysts
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Publication Date
Sun Mar 01 2015
Journal Name
Baghdad Science Journal
Variation of Faba Beans (Vicia faba L.) Traits Induced By Heat, Electric Shock and Mutagen Nitrous Acid
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This research was carried out to determine the impact of heat shock, electric shock and seeds in soaking nitrous acid mutagen solution on three cultivars of faba beans plant (Zaina, Aguadulce and Local) at the year 2012-2013. Factorial experiment was arranged in randomized complete block design (RCBD) with three replicates were used. The results showed that heat shock lead to early plants of 50% in flowering and an increase in the number of branches/plant and the number of seeds/pod compared to other treatments, whereas the seeds soaked in nitrous acid mutagen solution gave the highest plant height, leaf area index, number of pods/plant, seed weight, seed yield kg/ha, and did not differ significantly with treatment of electric shock in the

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Publication Date
Mon Dec 25 2017
Journal Name
Oriental Journal Of Chemistry
Adsorption of 4-Chlorophenol from Aqueous Solution Onto Iraqi Bauxite and Surfactant–Modified Iraqi Bauxite: Equilibrium, Kinetic, and Thermodynamic Studies
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Publication Date
Sat Aug 05 2017
Journal Name
Oriental Journal Of Chemistry
Adsorption of 4-Chlorophenol from Aqueous Solution onto Iraqi Bauxite and Surfactant–modified Iraqi Bauxite: Equilibrium, Kinetic, and Thermodynamic Studies
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Natural Bauxite (BXT) mineral clay was modified with a cationic surfactant (hexadecy ltrimethy lammonium bromide (BXT-HDTMA)) and characterized with different techniques: FTIR spectroscopy, X-ray powder diffraction (XRD) and scanning electron microscopy (SEM). The modified and natural bauxite (BXT) were used as adsorbents for the adsorption of 4- Chlorophenol (4-CP) from aqueous solutions. The adsorption study was carried out at different conditions and parameters: contact time, pH value, adsorbent dosage and ionic strength. The adsorption kinetic (described by a pseudo-first order and a pseudo-second order), equilibrium experimental data (analyzed by Langmuir, Freundlich and Temkin isotherm models) and thermodynamic parameters (change in s

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