Al-Nahrain Journal of Science

1

Theoretical Investigation on Biological Activity of Imidazole Derivatives [Carbenzim, Mebendazole] by using (DFT) and (PM3) Methods

Amar Tuma Musa, Khalida Abaid

Pages: 1-8 English

Abstract

The theoretical study represents an essential preliminary stage for the start of any industry, as it gives a theoretical description of the properties of compounds (chemical, physical and biological properties) without conducting research to find out about this and the least cost. Through the theoretical study, we extract a clear picture of the chemical compounds before starting to manufacture them to know the extent of their impact on human health and their chemical and biological effectiveness. Using the Density Functional Theory (DFT/B3LYP) with base 6-311G, through Gaussian 09 program, the optimize geometry, (bond lengths, angles bond) and vibrational spectra was calculated of the benzimidazole derivatives [Carbenzim (CZM), Mebendazole (MBZ)].

Through orbital charts of HOMO and LUMO to study electronic properties. The HOMO-LUMO gap was also evaluated for chemical reactivity and determination of global reactivity descriptors (Hardness (h), Softness (S), Electrophilicity (w), Chemicalpotential (m), Electronegativity(χ))] that defines compunds effectiveness and the their biological activities.

In addition, (QSAR) data has been used to develop relationships between biological activities and thermophysical properties of chemicals, through the Hyper Chem 8.0 program by using Semi-empirical (SE) method at the (PM3) level. The LOG P value was calculated, binding energy, Polarizability, hydration energy, surface area, and electrostatic potential energy difference of two level.

Keywords

Carbenzim DFT HOMO Log P LUMO mebendazole PM3 QSAR

2

Blend Modified Polymers (Polyethersulfone, Expandable Polystyrene, Polyvenylidinefluride) as a Membrane for Microbial Fuel Cell

Zainab A. Al-Taie, Mehdi Salih Shihab, Shrok Allami

Pages: 9-13 English

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Abstract

In this work membrane (proton exchange membrane) by using the blend polymers (polyethersulfone (PES), Expandable polystyrene (EPS), polyvenylidinefluride polymer (PVDF)) were prepared. This membrane was modified by adding organic sulfonic acid to the blend solution pre casting process, and sulfonated by dipping it in diluted sulfuric acid (H2SO4 60 %) post casting process. The sulfonation was confirmed via FTIR spectra. The sulfonated membrane was characterized by proton conductivity, ion exchange capacity (IEC), (-SO3H) content, and water uptake. Microbial Fuel Cell (MFC) is characterized by electrochemical polarization tests and power densities obtained from it used to evaluate the efficiency of the membrane in the cell.

Keywords

Microbial fuel cell power density Proton exchange membrane Sulfonation

3

Synthesis New Pyridinium Salts as Corrosion Inhibitors for Mild Steel in 1 M H2SO4

Rania Kareem Hameed, Mehdi Salih Shihab

Pages: 14-20 English

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Abstract

Some new pyridinium salts, namely 4-(4-Chloro-benzylidene-hydrazinocarbonyl)-1-phenyl-pyridinium bromide, C1; 4-(4-Chloro-benzylidene-hydrazinocarbonyl)-1-butyl-pyridinium bromide, C2; 4-(4-Chloro-benzylidene-hydrazinocarbonyl)-1-phencyl-pyridinium bromide, C3; were synthesized and Corrosion inhibitors for mild steel were tested in a 1M H2SO4 aqueous solution at 20 ºC for 24 hours using weight loss measurements. The findings revealed that the inhibition efficiency of all pyridinium bromide derivatives converges at the maximum concentration. An increase in inhibitor concentration is associated with a decrease in corrosion rate, an increase in inhibition efficiencies, and an increase in surface degree of coverage. The physisorption effects for (C1, C2, and C3) were revealed by the free energy values of adsorption, which provided useful information for predicting the interaction between the metal surface and organic molecules as corrosion inhibitors.

Keywords

adsorption isotherm Corrosion mild steel Pyridinium salts

4

Nanomaterials and Energy Storage in a Glance: a Review

Mustafa Abdallh, Zainab Hussain, Hamsa Thamer, Ali Abd Ali, Emad Yousif, Salam Mohammed

Pages: 21-26 English

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Abstract

The challenge to provide a powerful instrument with a high energy conversion is of a great importance to our modern society, not only in terms of conversion but in high-capacity storage derived by the increase for energy demand. In addition, the environmental impact of these new technologies to create a green and sustainable environment. One of these green technologies is the use of dye-sensitized solar cells to produce energy and lithium-ion batteries to store the generated energy. The need for high electronic mobility and high surface volume and activity, nano metal oxide was investigated as alternative or a new material in generation and conversion of energy. For this purpose, many metal oxides were explored especially Zinc oxide (ZnO) and titanium oxide (TiO2) due to their electronic characteristics.

Keywords

Energy Storage nanomaterials TiO2 ZnO

5

Structural and Electrical Specification of ZrO2 nano thin film prepared by PLD

Suroor Hikmat, Thamir A. Jumah

Pages: 27-32 English

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Abstract

Zirconium dioxide was Prepared as a thin films by using pulse laser deposition (PLD). Subsequently, the films had been thermally treated by annealing process at temperature 450 ᵒ C. The structural and electrical properties of the films were study. The electrical properties, such as Hall Effect of the ZrO₂ films were calculated. Structural properties, such as phase structure were also measured. As-deposited films were amorphous and had a large surface density of ablated particles. The Annealing process resulted change the phase from amorphous to polycrystalline. The X-ray diffraction of all these films have a polycrystalline structure. The crystalline phases of all the films are have mix of two phases were tetragonal and monoclinic phase. From Hall measurements appear that charge carriers of all these films were p-type and from AC results measured showed the films have resistance and capacitance properties.

Keywords

annealing Electrical properties Pulse laser deposition thin film Zirconium oxide

6

Determination the Natural Radioactivity Levels at Selected Regions in Al-Najaf Governorate

Nada M. Hasan, Jamal K. Alsaedi, Salam K. Alnasri, Ali A. Abdulhasan

Pages: 33-40 English

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Abstract

The natural radioactivity levels for radium (226Ra), thorium (232Th) and potassium (40K) have been determined in soil samples selected from different regions in Najaf governorate in Iraq. The samples were collected from the ground surface. Eight samples were measured by gamma ray spectroscopy using high purity germanium detector. The levels of radionuclides concentrations in selected samples 232Th, 226Ra and 40K were in the range of (2.5±0.29 to 7.7±0.52) Bq/kg (6.3±0.43 to 16.4±1.9) Bq/kg and (31.5±3.4 to 204.1±11.9) Bq/kg for, respectively. The mean Radium Equivalent Activity, External and Internal Hazard Indices, the Absorbed Dose Rate in Air and the Annual Effective Doses Equivalent were studied and found these parameter are less than the reported values. Therefore, the radioactivity in the studied area in Najaf does not pose any radiological hazard to the general public.

Keywords

Gamma ray High purity germanium detector Natural radioactivity radiological hazard soil

7

Solving Two Dimensional Coupled Burger's Equations and Sine-Gordon Equation Using El-Zaki Transform-Variational Iteration Method

Marwa H. Al-Tai, Ali Al-Fayadh

Pages: 41-47 English

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Abstract

In this paper, the combined form of the Elzaki transform and variation iteration method is implemented efficiently in finding the analytical and numerical solutions of the two-dimensional nonlinear coupled Burger's partial differential equations and sine-Gordon partial differential equation. The obtained solutions were compared to the exact solutions and other existing methods. Illustrative examples show the efficiency and the power of the used method.

Keywords

Burger’s Equation Elzaki transform Nonlinear partial differential equation Sine-Gordon equation Variational iteration method

8

Modular Irreducible Representations of the FpW4-Submodules of the Modules as Linear Codes, where W4 is the Weyl Group of Type B4

Jinan F. N. Al-Jobory, Emad B. Al-Zangana, Faez Hassan Ali

Pages: 48-63 English

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Abstract

The modular representations of the FpWn-Specht modules as linear codes is given in our paper [6], and the modular irreducible representations of the FpW4-submodules of the Specht modules as linear codes where W4 is the Weyl group of type B4 is given in our paper [5]. In this paper we are concerning of finding the linear codes of the representations of the irreducible FpW4-submodules of the FpW4-modules for each pair of partitions of a positive integer n = 4, where Fp = GF(p) is the Galois field (finite field) of order p, and p is a prime number greater than or equal to 3. We will find in this paper a generator matrix of a subspace representing the irreducible FpW4-submodulesof the FpW4-modulesand give the linear code of for each prime number p greater than or equal to 3. Then we will give the linear codes of all the subspaces for all pair of partitions of a positive integer n = 4, and for each prime number p greater than or equal to 3.

We mention that some of the ideas of this work in this paper have been influenced by that of Adalbert Kerber and Axel Kohnert [13], even though that their paper is about the symmetric group and this paper is about the Weyl groups of type Bn.

Keywords

-tableau Field of characteristic 0 (infinite field) Finite field Fp  GF(p) FpWn-module FpWn-submodule Generating matrix Group ring FpWn Linear Code Pair of partitions of a positive integer n Specht module Specht polynomial Standard -tableau Vector space Weyl group Wn of type Bn

9

Classification of Plants Leaf Diseases using Convolutional Neural Network

Reem Mohammed Jasim Al-Akkam, Mohammed Sahib Mahdi Altaei

Pages: 64-71 English

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Abstract

Agriculture is one of the most important professions in many countries, including Iraq, as the Iraqi financial system depends on agricultural production and great attention should be paid to concerns about agricultural production. Because plants are exposed to many diseases and monitoring plant diseases with the help of specialists in the agricultural region can be very expensive. There is a need for a system capable of automatically detecting diseases. The aim of the research proposed is to create a model that classifies and predicts leaf diseases in plants. This model is based on a convolution network, which is a kind of deep learning. The dataset used in this study called (Plant Village) was downloaded from the kaggle website. The dataset contains 34,934 RGB images, and the deep CNN model can efficiently classify 15 different classes of healthy and diseased plants using the leaf images. The model used techniques to augment data and dropout. The Softmax output layer was used with the categorical cross-entropy loss function to apply the CNN model proposed with the Adam optimization technique. The results obtained by the proposed model were 97.42% in the training phase and 96.18% in the testing phase.

Keywords

Convolutional Neural Network deep learning Detecting Leaf Diseases Image Preprocessing

10

Medical Image Denoising Via Matrix Norm Minimization Problems

Zainab Abd-Alzahra, Basad Al-Sarray

Pages: 72-77 English

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Abstract

This paper presents the matrix completion problem for image denoising. Three problems based on matrix norm are performing: Spectral norm minimization problem (SNP), Nuclear norm minimization problem (NNP), and Weighted nuclear norm minimization problem (WNNP). In general, images representing by a matrix this matrix contains the information of the image, some information is irrelevant or unfavorable, so to overcome this unwanted information in the image matrix, information completion is used to comperes the matrix and remove this unwanted information. The unwanted information is handled by defining {0,1}-operator under some threshold. Applying this operator on a given matrix keeps the important information in the image and removing the unwanted information by solving the matrix completion problem that is defined by P. The quadratic programming use to solve the given three norm-based minimization problems. To improve the optimal solution a weighted exponential is used to compute the weighted vector of spectral that use to improve the threshold of optimal low rank that getting from solving the nuclear norm and spectral norm problems. The result of applying the proposed method on different types of images is given by adopting some metrics. The results showed the ability of the given methods.

Keywords

Image De noising Low rank Matrix completion Spectral norm Weighted nuclear norm

11

Modified Bag of Visual Words Model for Image Classification

Zainab Namh Sultani, Ban N. Dhannoon

Pages: 78-86 English

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Abstract

Image classification is acknowledged as one of the most critical and challenging tasks in computer vision. The bag of visual words (BoVW) model has proven to be very efficient for image classification tasks since it can effectively represent distinctive image features in vector space. In this paper, BoVW using Scale-Invariant Feature Transform (SIFT) and Oriented Fast and Rotated BRIEF (ORB) descriptors are adapted for image classification. We propose a novel image classification system using image local feature information obtained from both SIFT and ORB local feature descriptors. As a result, the constructed SO-BoVW model presents highly discriminative features, enhancing the classification performance. Experiments on Caltech-101 and flowers dataset prove the effectiveness of the proposed method.

Keywords

BoVW Image classification Local features ORIB SIFT

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