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HOMO-LUMO Energies and Geometrical Structures Effecton Corrosion Inhibition for Organic Compounds Predict by DFT and PM3 Methods
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A theoretical study on corrosion inhibitors was done by quantum calculations includes semi-empirical PM3 and Density Functional Theory (DFT) methods based on B3LYP/6311++G (2d,2P). Benzimidazole derivative (oxo(4- ((phenylcarbamothioyl) carbamoyl)phenyl) ammonio) oxonium (4NBP) and thiourea derivative 2-((4- bromobenzyl)thio) -1H-benzo[d] imidazole (2SB) were used as corrosion inhibitors and an essential quantum chemical parameters correlated with inhibition efficiency, EHOMO (highest occupied molecular orbital energy) and ELUMO (lowest molecular orbital energy). Other parameters are also studied like energy gap [ΔE (HOMO-LUMO)], electron affinity (EA), hardness (Δ), dipole moment (μ), softness (S), ionization potential (IE), absolute electron negativity (χ), and global electrophilicity index (ω) respectively. Mulliken population was also essential to determine a local reactivity by indicating reactive centers and identifyinga potential nucleophilic and electrophilic attacks sites. The adsorption of compounds is also discussedwith the bonds length, the angles, and tetrahedral of molecules. The 2SB best from 4NBP as corrosion inhibitors according to theoretical and experimental proving.Predicated.

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Publication Date
Sat Jan 05 2019
Journal Name
Iraqi Journal Of Physics
Functionalization of single and multi-walled carbon nanotubes by chemical treatment
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In this work we experimentally investigated SWCNTs and MWCNTs to increase their thermal conductivity and electrically functionalization process using different reagents ((nitric acid, HNO3 followed by acid treatment with H2SO4), then washed with deionized water (DW) and then treated with H2O2 via ultrasonic technique. Then repeated the steps with MWCNTs and compare their results in an effort to improve experimental conditions that efficiently differentiate the surface of the single walled carbon nanotubes (SWCNTs) and multi walled carbon nanotubesi(MWCNTs) that less nanotubes destroy and to enhance the properties of them and also to reduce aggregation in liquid. the results were prove by XRD, and infrared spectroscopy (FTIR). The FTIR sp

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Publication Date
Mon Mar 11 2019
Journal Name
Baghdad Science Journal
Determination of Nicotine Extracted from Eggplant and Green Pepper by HPLC
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Nicotine was separated from eggplant and green pepper seeds (Solanaceous) by High Performance Liquid Chromatography (HPLC).The concentration of nicotine in the eggplant extract (0.871-0.877 μg/ml) was determined by injecting standard material with 0.5 and 1.5 μg/ml, while the concentrations of nicotine in green pepper extract (0.613-0.618 μg/ml) was determined when the standard material was injected with 0.5 and 1.5 μg/ml. The qualitative chemical data was calculated from derivations of the standard material. Nicotine concentration was measured qualitatively in both extracts through the calibration curve and method of the standard addition. This technique has high accuracy and compatibility, bringing the proportion of relati

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Publication Date
Sun Aug 01 2021
Journal Name
Bulletin Of Electrical Engineering And Informatics
Robust speaker verification by combining MFCC and entrocy in noisy conditions
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Automatic speaker recognition may achieve remarkable performance in matched training and test conditions. Conversely, results drop significantly in incompatible noisy conditions. Furthermore, feature extraction significantly affects performance. Mel-frequency cepstral coefficients MFCCs are most commonly used in this field of study. The literature has reported that the conditions for training and testing are highly correlated. Taken together, these facts support strong recommendations for using MFCC features in similar environmental conditions (train/test) for speaker recognition. However, with noise and reverberation present, MFCC performance is not reliable. To address this, we propose a new feature 'entrocy' for accurate and robu

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Publication Date
Mon Feb 04 2019
Journal Name
Iraqi Journal Of Physics
Structural and optical properties of CdO and CdO0.99Cu0.01 thin films prepared by pulsed laser deposition technique
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Structural and optical properties of CdO and CdO0.99Cu0.01 thin
films were prepared in this work. Cadmium Oxide (CdO) and
CdO0.99Cu0.01semiconducting films are deposited on glass substrates
by using pulsed laser deposition method (PLD) using SHG with Qswitched
Nd:YAG pulsed laser operation at 1064nm in 6x10-2 mbar
vacuum condition and frequency 6 Hz. CdO and CdO0.99Cu0.01 thin
films annealed at 550 C̊ for 12 min. The crystalline structure was
studied by X-ray diffraction (XRD) method and atomic force
microscope (AFM). It shows that the films are polycrystalline.
Optical properties of thin films were analyzed. The direct band gap
energy of CdO and CdO0.99Cu0.01 thin films were determined from
(αhυ)1/2 v

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Publication Date
Sun Jun 05 2016
Journal Name
Baghdad Science Journal
Bioremediation of Lead and Cadmium Contaminated soil by Sesbania rostrata plant and AM fungi Glomus mosseae
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This study was conducted to determine the activity of plant Sesbania rostrata and two isolate from arbuscular mycorrhizae fungi (A,B) as a bioremediation of soil polluted by cadmium and lead elements in north and south of Baghdad city. The results showed that the average of soil pollution by cadmium and lead elements in north of Baghdad was less than the average of soil pollution in the south of Baghdad which recorded 10.0, 9.0 mg/kg and 27.0, 25.0 mg/kg respectively. The plant Sesbania recorded ability to accumulate the lead element in shoot system 19.65 mg/kg and in root system 27.2 mg/kg and for cadmium element 19.6, 24.6 mg/kg in shoot and root respectively. The results showed that the isolate A from soil pollution is more effected

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Publication Date
Thu Jun 08 2023
Journal Name
Egyptian Journal Of Chemistry
Ring Opining polymerization of caprolactone And Antibacterial activity by Mixed Ligand of Metal(II) and (III)
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Reaction of L1 [((E)-N1-(nitrobenzylidene)benzene-1,2-diamine] and L2( m-aminophenol), and one equivalent of di- or tri-valent metals(Cr(ӀӀӀ), Mn(ӀӀ), Fe(ӀӀӀ), Co(ӀӀ), Ni(ӀӀ), Cu(ӀӀ) and Zn(ӀӀ) afforded the complexes [M(L1)(L2)2]Cl, M=Cr(ӀӀӀ) and Fe(ӀӀӀ) and the complexes [M(L1)(L2)2] M= Mn(ӀӀ), Co(ӀӀ), Ni(ӀӀ), Cu(ӀӀ) and Zn(ӀӀ). The structure of the Schiff base ligand and their complexes are characterized by (C:H:N), FT.IR, UV.Vis, 1HNMR, 13CNMR and mass spectral. The presence of metal in the complexes are characterized by flame atomic absorption. The spectral data of the complexes have revealed the octahedral geometry. The (L1), (L2) and mixed ligand metal complexes were screened for their ability as cataly

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Publication Date
Wed May 24 2017
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Continuous Extraction and Stripping of Neptunium By Fresh and Degradated Tributyle Phosphate Using Co-60 Cell
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    The behaviour of Np-239 during the Continuous extraction and stripping  was followed . Three Continuous extraction experiments were carried out . In the first experiment the extraction and stripping were carried out by using Tributyl Phosphate / treated odorless kerosene as the organic phase , while the aqueous phase was uranium and neptunium-239 dissolved in 3M HNO3 . In the second experiment irradiation of organic phase up to 30 M rad were carried out , while keeping the aqueous phase as it is in the first experiment. In the third experiment , the acidity of the aqueous phase was 1.5M instead of 3M and keeping the organic phase as it is in experiment 1. The results obtained in tables 1-3 show the possibility of

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Publication Date
Fri Jan 01 2016
Journal Name
Journal Of Cosmetics, Dermatological Sciences And Applications
Treatment of Acute Cutaneous Leishmaniasis by Oral Zinc Sulfate and Oral Ketocanazole Singly and in Combination
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Publication Date
Fri Dec 01 2023
Journal Name
Iop Conference Series: Earth And Environmental Science
Improving the Growth and Production of Beets by Fertilizing with Fish Water and Spraying Lentil Extract
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Abstract<p>The experiment was conducted in the fields belonging to the Department of Horticulture, College of Agricultural Engineering Sciences, University of Baghdad, at Al-Jadriya Complex / Station A, for the autumn season of 2022-2023. The aim was to study the effect of water fish irrigation and water lens plant extract foliar application on the growth and productivity of beetroot. The experiment included two factors: the first factor was water fish irrigation with five concentrations (A) Control treatment (irrigation with river water and recommended fertilization), (B) Water fish irrigation at 25% concentration, (C) water Fish irrigation at 50% concentration, (D) Water Fish irrigation at 75%</p> ... Show More
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Publication Date
Tue Oct 25 2022
Journal Name
Iraqi Journal Of Agricultural Sciences
GROWTH, YIELD, AND ANTIOXIDANT TRAITS OF DIFFERENT PARTS OF BEETROOT AS AFFECTED BY VERMICOMPOST AND GLUTATHIONE
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This study was aimed to assess the impact of vermicompost, glutathione, and their interaction on beetroot (Beta vulgaris L.) growth, yield, and antioxidant traits. The experiment carried out at vegetable field of the College of Agricultural Engineering Sciences - University of Baghdad during fall season 2019. The experiment was conducted using factorial arrangement within Randomized Complete Block Design with two factors and three replicates (3X3X3). Applying vermicompost before cultivation represented the first factor (0, 15, 30 ton.ha-1), which symbolized (V0, V1, V2). Glutathione (0, 75, 150 mg.L-1) which symbolized (G0, G1, G2) represented the second factor. Results showed the superiority of secondary interaction treatment V2G2

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