Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 22

Search results for: Mouna Essaadi

22 Comparison between Classical and New Direct Torque Control Strategies of Induction Machine

Authors: Mouna Essaadi, Mohamed Khafallah, Abdallah Saad, Hamid Chaikhy

Abstract:

This paper presents a comparative analysis between conventional direct torque control (C_DTC), Modified direct torque control (M_DTC) and twelve sectors direct torque control (12_DTC).Those different strategies are compared by simulation in term of torque, flux and stator current performances. Finally, a summary of the comparative analysis is presented.

Keywords: C_DTC, M_DTC, 12_DTC, torque dynamic, stator current, flux, performances

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21 An Implementation Direct Torque Control Strategy of Induction Machine Using DSPACE TMS 320F2812

Authors: Hamid Chaikhy, Mouna Essaadi, Aziz El Afia

Abstract:

This paper presents an experimental implementation of a new direct torque control strategy of induction machine called twelve sectors direct torque control strategy (12_DTC) using DSPACE TMS 320F2812.The aim of this work is to give an experimental performance analysis of 12_DTC in term of torque, currents distortions and stator flux, to validate simulation results obtained in previous works.

Keywords: 12_DTC, DSPACE TMS 320F2812 torque, stator flux, currents distortions, experimental performance analysis

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20 Influence of Error Correction Codes on the Quality of Optical Broadband Connections

Authors: Mouna Hemdi, Jamel bel Hadj Tahar

Abstract:

The increasing development of multimedia applications requiring the simultaneous transport of several different services contributes to the evolution of the need for very high-speed network. In this paper, we propose an effective solution to achieve the very high speed while retaining elements of the optical transmission channel. So our study focuses on error correcting codes that aim for quality improvement on duty. We present a comparison of the quality of service for single channels and integrating the code BCH, RS and LDPC in order to find the best code in the different conditions of the transmission.

Keywords: code error correction, high speed broadband, optical transmission, information systems security

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19 A Comparative Study of Medical Image Segmentation Methods for Tumor Detection

Authors: Mayssa Bensalah, Atef Boujelben, Mouna Baklouti, Mohamed Abid

Abstract:

Image segmentation has a fundamental role in analysis and interpretation for many applications. The automated segmentation of organs and tissues throughout the body using computed imaging has been rapidly increasing. Indeed, it represents one of the most important parts of clinical diagnostic tools. In this paper, we discuss a thorough literature review of recent methods of tumour segmentation from medical images which are briefly explained with the recent contribution of various researchers. This study was followed by comparing these methods in order to define new directions to develop and improve the performance of the segmentation of the tumour area from medical images.

Keywords: features extraction, image segmentation, medical images, tumor detection

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18 DFT Study of Secondary Phase of Cu2ZnSnS4 in Solar Cell: Cu2SnS3

Authors: Mouna Mesbahi, M. Loutfi Benkhedir

Abstract:

In CZTS films solar cell, the preferable reaction between Cu and sulfur vapor was likely to be induced by out diffusion of the bottom Cu component to the surface; this would lead to inhomogeneous distribution of the Cu component to form the Cu2SnS3 secondary phase and formation of many voids and crevices in the resulting CZTS film; which is also the cause of the decline in performance. In this work we study the electronic and optical properties of Cu2SnS3. For this purpose we used the Wien2k code based on the theory of density functional theory (DFT) with the modified Becke-Johnson exchange potential mBJ and the Hubbard potential individually or combined. We have found an energy gap 0.92 eV. The results are in good agreement with experimental results.

Keywords: Cu2SnS3, DFT, electronic and optical properties, mBJ+U, WIEN2K

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17 Kinetic Monte Carlo Simulation of ZnSe Homoepitaxial Growth and Characterization

Authors: Hamid Khachab, Yamani Abdelkafi, Mouna Barhmi

Abstract:

The epitaxial growth has great important in the fabricate of the new semi-conductors devices and upgrading many factors, such as the quality of crystallization and efficiency with their deferent types and the most effective epitaxial technique is the molecular beam epitaxial. The MBE growth modeling allows to confirm the experiments results out by atomic beam and to analyze the microscopic phenomena. In of our work, we determined the growth processes specially the ZnSe epitaxial technique by Kinetic Monte Carlo method and we also give observations that are made in real time at the growth temperature using reflection high energy electron diffraction (RHEED) and photoemission current.

Keywords: molecular beam epitaxy, II-VI, morpholy, photoemission, RHEED, simulation, kinetic Monte Carlo, ZnSe

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16 Estimation of the State of Charge of the Battery Using EFK and Sliding Mode Observer in MATLAB-Arduino/Labview

Authors: Mouna Abarkan, Abdelillah Byou, Nacer M'Sirdi, El Hossain Abarkan

Abstract:

This paper presents the estimation of the state of charge of the battery using two types of observers. The battery model used is the combination of a voltage source, which is the open circuit battery voltage of a strength corresponding to the connection of resistors and electrolyte and a series of parallel RC circuits representing charge transfer phenomena and diffusion. An adaptive observer applied to this model is proposed, this observer to estimate the battery state of charge of the battery is based on EFK and sliding mode that is known for their robustness and simplicity implementation. The results are validated by simulation under MATLAB/Simulink and implemented in Arduino-LabView.

Keywords: model of the battery, adaptive sliding mode observer, the EFK observer, estimation of state of charge, SOC, implementation in Arduino/LabView

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15 Optimization of a Combined Ejector-Vapor Compression Refrigeration Systems with R134a

Authors: Ilhem Ouelhazi, Mouna Elakhdar, Lakdar Kairouani

Abstract:

A computer simulation model for a combined ejector-vapor compression cycle that uses working fluid R134a. A refrigeration system was developed which combines a basic vapor compression refrigeration cycle with an ejector cooling cycle. A one-dimensional mathematical model was developed using the equations governing the flow and thermodynamics based on the constant area ejector flow model. The effects of the operating parameters on the cooling capacity, the performance coefficient, and the entrainment ratio are studied. The current model is based on the NIST-REFPROP database for refrigerants properties calculations. The simulated performance is compared with the available experimental data from the literature for validation.

Keywords: combined refrigeration cycle, constant area ejector, R134a, ejector-cooling cycle, performance, mathematical simulation, vapor compression cycle

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14 Eucalyptus camendulensis and Its Drying Effect on Water and Essential Oil Content

Authors: Mehani Mouna, Segni Ladjel

Abstract:

Medicinal and aromatic plants are promising and are characterized by the biosynthesis of odorous molecules that make up the so-called essential oils (EO), which have long been known for their antiseptic and therapeutic activity in folk medicine. The objective of this study was to evaluate the influence of drying in the shade on the water content and on the content of essential oils extracted from leaves of Eucalyptus camendulensis for better quality control of medicinal and aromatic plants. The water content of the Eucalyptus camendulensis plant material decreases during the drying process. It increased from 100 % to 0.006 % for the drying in the shade after ten days. The moisture content is practically constant at the end of the drying period. The drying in the shade increases the concentration of essential oils of Eucalyptus camendulensis. When the leaves of Eucalyptus camendulensis plant are in the shade, the maximum of the essential oil content was obtained on the eighth days; the recorded value was 1.43% ± 0.01%. Beyond these periods, the content continuously drops in before stabilizing. The optimum drying time is between 6 and 9 days.

Keywords: Eucalyptus camendulensis, drying, essential oils, water, content

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13 Diagnosis of Alzheimer Diseases in Early Step Using Support Vector Machine (SVM)

Authors: Amira Ben Rabeh, Faouzi Benzarti, Hamid Amiri, Mouna Bouaziz

Abstract:

Alzheimer is a disease that affects the brain. It causes degeneration of nerve cells (neurons) and in particular cells involved in memory and intellectual functions. Early diagnosis of Alzheimer Diseases (AD) raises ethical questions, since there is, at present, no cure to offer to patients and medicines from therapeutic trials appear to slow the progression of the disease as moderate, accompanying side effects sometimes severe. In this context, analysis of medical images became, for clinical applications, an essential tool because it provides effective assistance both at diagnosis therapeutic follow-up. Computer Assisted Diagnostic systems (CAD) is one of the possible solutions to efficiently manage these images. In our work; we proposed an application to detect Alzheimer’s diseases. For detecting the disease in early stage we used the three sections: frontal to extract the Hippocampus (H), Sagittal to analysis the Corpus Callosum (CC) and axial to work with the variation features of the Cortex(C). Our method of classification is based on Support Vector Machine (SVM). The proposed system yields a 90.66% accuracy in the early diagnosis of the AD.

Keywords: Alzheimer Diseases (AD), Computer Assisted Diagnostic(CAD), hippocampus, Corpus Callosum (CC), cortex, Support Vector Machine (SVM)

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12 Microbiological Study of Two Spontaneous Plants of Algerian Sahara Septentrional: Cotula cinerea and Chamomilla recutita

Authors: Mehani Mouna, Boukhari Nadjet, Ladjal Segni

Abstract:

The aim of our study is to determine the antimicrobial effect of essential oils of two plants Cotula cinerea and Chamomilla recutita on some pathogenic bacteria. It is a medicinal plant used in traditional therapy. Essential oils have many therapeutic properties. In herbal medicine, they are used for their antiseptic properties against infectious diseases of fungal origin, against dermatophytes, those of bacterial origin. Essential oils have many therapeutic properties. In herbal medicine, they are used for their antiseptic properties against infectious diseases of fungal origin, against dermatophytes, those of bacterial origin. Humans use plants for thousands of years to treat various ailments, in many developing countries; much of the population relies on traditional doctors and their collections of medicinal plants to cure them. The test adopted is based on the diffusion method on solid medium (Antibiogram), this method allows to determine the susceptibility or resistance of an organism according to the sample studied. Our study reveals that the essential oil of the plants Cotula cinerea and Chamomilla recutita have a different effect on the resistance of germs.

Keywords: antibiogram, Chamomilla recutita, Cotula cinerea, essential oil, microorganism

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11 Process for Separating and Recovering Materials from Kerf Slurry Waste

Authors: Tarik Ouslimane, Abdenour Lami, Salaheddine Aoudj, Mouna Hecini, Ouahiba Bouchelaghem, Nadjib Drouiche

Abstract:

Slurry waste is a byproduct generated from the slicing process of multi-crystalline silicon ingots. This waste can be used as a secondary resource to recover high purity silicon which has a great economic value. From the management perspective, the ever increasing generation of kerf slurry waste loss leads to significant challenges for the photovoltaic industry due to the current low use of slurry waste for silicon recovery. Slurry waste, in most cases, contains silicon, silicon carbide, metal fragments and mineral-oil-based or glycol-based slurry vehicle. As a result, of the global scarcity of high purity silicon supply, the high purity silicon content in slurry has increasingly attracted interest for research. This paper presents a critical overview of the current techniques employed for high purity silicon recovery from kerf slurry waste. Hydrometallurgy is continuously a matter of study and research. However, in this review paper, several new techniques about the process of high purity silicon recovery from slurry waste are introduced. The purpose of the information presented is to improve the development of a clean and effective recovery process of high purity silicon from slurry waste.

Keywords: Kerf-loss, slurry waste, silicon carbide, silicon recovery, photovoltaic, high purity silicon, polyethylen glycol

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10 Antimicrobial Effect of Essential Oil of Plant Schinus molle on Some Bacteria Pathogens

Authors: Mehani Mouna, Ladjel segni

Abstract:

Humans use plants for thousands of years to treat various ailments, In many developing countries, Much of the population relies on traditional doctors and their collections of medicinal plants to cure them. Essential oils have many therapeutic properties. In herbal medicine, They are used for their antiseptic properties against infectious diseases of fungal origin, Against dermatophytes, Those of bacterial origin. The aim of our study is to determine the antimicrobial effect of essential oils of the plant Schinus molle on some pathogenic bacteria. It is a medicinal plant used in traditional therapy. Essential oils have many therapeutic properties. In herbal medicine, They are used for their antiseptic properties against infectious diseases of fungal origin, Against dermatophytes, Those of bacterial origin. The test adopted is based on the diffusion method on solid medium (Antibiogram), This method allows to determine the susceptibility or resistance of an organism according to the sample studied. Our study reveals that the essential oil of the plant Schinus molle has a different effect on the resistance of germs: For Pseudomonas aeruginosa strain is a moderately sensitive with an inhibition zone of 10 mm, Further Antirobactere, Escherichia coli and Proteus are strains that represent a high sensitivity, A zone of inhibition equal to 14.66 mm.

Keywords: Essential oil, microorganism, antibiogram, shinus molle

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9 THRAP2 Gene Identified as a Candidate Susceptibility Gene of Thyroid Autoimmune Diseases Pedigree in Tunisian Population

Authors: Ghazi Chabchoub, Mouna Feki, Mohamed Abid, Hammadi Ayadi

Abstract:

Autoimmune thyroid diseases (AITDs), including Graves’ disease (GD) and Hashimoto’s thyroiditis (HT), are inherited as complex traits. Genetic factors associated with AITDs have been tentatively identified by candidate gene and genome scanning approaches. We analysed three intragenic microsatellite markers in the thyroid hormone receptor associated protein 2 gene (THRAP2), mapped near D12S79 marker, which have a potential role in immune function and inflammation [THRAP2-1(TG)n, THRAP2-2 (AC)n and THRAP2-3 (AC)n]. Our study population concerned 12 patients affected with AITDs belonging to a multiplex Tunisian family with high prevalence of AITDs. Fluorescent genotyping was carried out on ABI 3100 sequencers (Applied Biosystems USA) with the use of GENESCAN for semi-automated fragment sizing and GENOTYPER peak-calling software. Statistical analysis was performed using the non parametric Lod score (NPL) by Merlin software. Merlin outputs non-parametric NPLall (Z) and LOD scores and their corresponding asymptotic P values. The analysis for three intragenic markers in the THRAP2 gene revealed strong evidence for linkage (NPL=3.68, P=0.00012). Our results suggested the possible role of THRAP2 gene in AITDs susceptibility in this family.

Keywords: autoimmunity, autoimmune disease, genetic, linkage analysis

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8 Macroscopic Lesions and Histological Changes Caused by Non-Biodegradable Foreign Bodies in the Rumen of Cattle

Authors: Rouabah Zahra, Tlidjane Madjid, Belkacem Lilia, Hafid Nadia, Mallem Mouna

Abstract:

The goal of the current study was to evaluate the gross and histopathological changes caused by the presence of non-biodegradable foreign bodies (plastic bags) in the rumen-reticulum of cattle. To identify this problem, we conducted this study at a slaughterhouse on a total of 212 cattle without any previous selection. After slaughter and draining of the rumen, foreign bodies and macroscopic lesions were investigated, and rumen samples were taken for histopathological examination. Gross examination of the rumen-reticulum with non-biodegradable foreign bodies revealed congestion, hemorrhage, stunting, sagging, atrophy, and thinning of the papillae had been observed. Areas of erosion and ulceration were also observed in the rumen-reticulum of all cattle harboring a large quantity of plastic bags. Ulcerations and nodular formations were also present. The rumen-reticulum wall was thinner than normal and had a light-mottled wall and compressed papillae. The histopathological examination revealed a wide variety of lesions. We observed especially lesions of fragmentary or segmental ruptures, destruction, necrosis, degeneration and focal hyperplasia of the keratinized epithelium. The papillae are shortened, enlarged, atrophied, folded, and compressed. The length of the taste buds was reduced. These observed histopathological changes can be attributed to mechanical irritation induced by plastic bags or released chemicals by these non-biodegradable foreign bodies.

Keywords: cattle, non-biodegradable foreign bodies, lesions, rumen

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7 Theoretical Model of a Flat Plate Solar Collector Integrated with Phase Change Material

Authors: Mouna Hamed, Ammar B. Brahim

Abstract:

The objective of this work was to develop a theoretical model to study the dynamic thermal behavior of a flat plate solar collector integrated with a phase change material (PCM). The PCM acted as a heat source for the solar system during low intensity solar radiation and night. The energy balance equations for the various components of the collector as well as for the PCM were formulated and numerically solved using MATLAB computational program. The effect of natural convection on heat during the melting process was taken into account by using an effective thermal conductivity. The model was used to investigate the effect of inlet water temperature, water mass flow rate, and PCM thickness on the outlet water temperature and the melt fraction during charging and discharging modes. A comparison with a collector without PCM was made. Results showed that charging and discharging processes of PCM have six stages. The adding of PCM caused a decrease in temperature during charge and an increase during discharge. The rise was most enhanced for higher inlet water temperature, PCM thickness and for lower mass flow rate. Analysis indicated that the complete melting time was shorter than the solidification time due to the high heat transfer coefficient during melting. The increases in PCM height and mass flow rate were not linear with the melting and solidification times.

Keywords: thermal energy storage, phase change material, melting, solidification

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6 Thermolysin Entrapment in a Gold Nanoparticles/Polymer Composite: Construction of an Efficient Biosensor for Ochratoxin a Detection

Authors: Fatma Dridi, Mouna Marrakchi, Mohammed Gargouri, Alvaro Garcia Cruz, Sergei V. Dzyadevych, Francis Vocanson, Joëlle Saulnier, Nicole Jaffrezic-Renault, Florence Lagarde

Abstract:

An original method has been successfully developed for the immobilization of thermolysin onto gold interdigitated electrodes for the detection of ochratoxin A (OTA) in olive oil samples. A mix of polyvinyl alcohol (PVA), polyethylenimine (PEI) and gold nanoparticles (AuNPs) was used. Cross-linking sensors chip was made by using a saturated glutaraldehyde (GA) vapor atmosphere in order to render the two polymers water stable. Performance of AuNPs/ (PVA/PEI) modified electrode was compared to a traditional immobilized enzymatic method using bovine serum albumin (BSA). Atomic force microscopy (AFM) experiments were employed to provide a useful insight into the structure and morphology of the immobilized thermolysin composite membranes. The enzyme immobilization method influence the topography and the texture of the deposited layer. Biosensors optimization and analytical characteristics properties were studied. Under optimal conditions AuNPs/ (PVA/PEI) modified electrode showed a higher increment in sensitivity. A 700 enhancement factor could be achieved with a detection limit of 1 nM. The newly designed OTA biosensors showed a long-term stability and good reproducibility. The relevance of the method was evaluated using commercial doped olive oil samples. No pretreatment of the sample was needed for testing and no matrix effect was observed. Recovery values were close to 100% demonstrating the suitability of the proposed method for OTA screening in olive oil.

Keywords: thermolysin, A. ochratoxin , polyvinyl alcohol, polyethylenimine, gold nanoparticles, olive oil

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5 Exploring the Design of Prospective Human Immunodeficiency Virus Type 1 Reverse Transcriptase Inhibitors through a Comprehensive Approach of Quantitative Structure Activity Relationship Study, Molecular Docking, and Molecular Dynamics Simulations

Authors: Mouna Baassi, Mohamed Moussaoui, Sanchaita Rajkhowa, Hatim Soufi, Said Belaaouad

Abstract:

The objective of this paper is to address the challenging task of targeting Human Immunodeficiency Virus type 1 Reverse Transcriptase (HIV-1 RT) in the treatment of AIDS. Reverse Transcriptase inhibitors (RTIs) have limitations due to the development of Reverse Transcriptase mutations that lead to treatment resistance. In this study, a combination of statistical analysis and bioinformatics tools was adopted to develop a mathematical model that relates the structure of compounds to their inhibitory activities against HIV-1 Reverse Transcriptase. Our approach was based on a series of compounds recognized for their HIV-1 RT enzymatic inhibitory activities. These compounds were designed via software, with their descriptors computed using multiple tools. The most statistically promising model was chosen, and its domain of application was ascertained. Furthermore, compounds exhibiting comparable biological activity to existing drugs were identified as potential inhibitors of HIV-1 RT. The compounds underwent evaluation based on their chemical absorption, distribution, metabolism, excretion, toxicity properties, and adherence to Lipinski's rule. Molecular docking techniques were employed to examine the interaction between the Reverse Transcriptase (Wild Type and Mutant Type) and the ligands, including a known drug available in the market. Molecular dynamics simulations were also conducted to assess the stability of the RT-ligand complexes. Our results reveal some of the new compounds as promising candidates for effectively inhibiting HIV-1 Reverse Transcriptase, matching the potency of the established drug. This necessitates further experimental validation. This study, beyond its immediate results, provides a methodological foundation for future endeavors aiming to discover and design new inhibitors targeting HIV-1 Reverse Transcriptase.

Keywords: QSAR, ADMET properties, molecular docking, molecular dynamics simulation, reverse transcriptase inhibitors, HIV type 1

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4 Reinventing Education Systems: Towards an Approach Based on Universal Values and Digital Technologies

Authors: Ilyes Athimni, Mouna Bouzazi, Mongi Boulehmi, Ahmed Ferchichi

Abstract:

The principles of good governance, universal values, and digitization are among the tools to fight corruption and improve the quality of service delivery. In recent years, these tools have become one of the most controversial topics in the field of education and a concern of many international organizations and institutions against the problem of corruption. Corruption in the education sector, particularly in higher education, has negative impacts on the quality of education systems and on the quality of administrative or educational services. Currently, the health crisis due to the spread of the COVID-19 pandemic reveals the difficulties encountered by education systems in most countries of the world. Due to the poor governance of these systems, many educational institutions were unable to continue working remotely. To respond to these problems encountered by most education systems in many countries of the world, our initiative is to propose a methodology to reinvent education systems based on global values and digital technologies. This methodology includes a work strategy for educational institutions, whether in the provision of administrative services or in the teaching method, based on information and communication technologies (ICTs), intelligence artificial, and intelligent agents. In addition, we will propose a supervisory law that will be implemented and monitored by intelligent agents to improve accountability, transparency, and accountability in educational institutions. On the other hand, we will implement and evaluate a field experience by applying the proposed methodology in the operation of an educational institution and comparing it to the traditional methodology through the results of teaching an educational program. With these specifications, we can reinvent quality education systems. We also expect the results of our proposal to play an important role at local, regional, and international levels in motivating governments of countries around the world to change their university governance policies.

Keywords: artificial intelligence, corruption in education, distance learning, education systems, ICTs, intelligent agents, good governance

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3 Urban Renewal, Social Housing, Relocation, and Violence in Algiers

Authors: Kahina Amal Djiar, Mouna Gharbi, Maha Messaoudene, Oumelkheir Chareb

Abstract:

Over the last decade, Algerian authorities have implemented an ambitious program of urban renewal, which includes important relocation operations. The objectives behind such strategic interventions are on the one hand, to carry out an incremental approach aiming at eradicating precarious housing and on the other hand, to diversify alternative housing options for families requiring better living spaces. It is precisely for these same purposes that the Djenan el-Hassan and Carrières Jaubert estates, which are both located in Algiers, have undergone major urban transformations. These dwelling sites were built as part of the famous "Battle of Housing", which was launched by French colonial administration in the 1950s just before the independence of Algeria in 1962. Today, the Djenan el-Hassan estate is almost entirely demolished following the relocation of 171 families. The Carrières Jaubert estate, for its part, has seen two kinds of operations. The first has been shaped by a process of urban requalification and redevelopment, which allowed some of the residents to stay on site after the transformation of most housing cells into larger apartments. The second operation has required the relocation of over 300 families to entirely newly built dwellings. Such projects of urban renewal are supposed to create new opportunities, not only in terms of local urban development, but also in terms of social perspectives for those families who are involved, either directly or indirectly, in the process of relocation. In fact, the percentage of urban violence in Algiers has increased instead. Recent events in the newly built estates show that residents are repeatedly experiencing and even instigating episodes of brutality, hostility and aggression. The objective of this paper is to examine the causes that have engendered such rise in urban violence in newly built housing estates in Algiers. This paper aims to present the findings of a recent qualitative research and highlight the way that poorly designed neighbourhood, combined with a relocation process that leaves little room for community participation, create inevitably severe social tensions.

Keywords: relocation, social housing, violence, Algiers

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2 Computational Approach to Cyclin-Dependent Kinase 2 Inhibitors Design and Analysis: Merging Quantitative Structure-Activity Relationship, Absorption, Distribution, Metabolism, Excretion, and Toxicity, Molecular Docking, and Molecular Dynamics Simulations

Authors: Mohamed Moussaoui, Mouna Baassi, Soukayna Baammi, Hatim Soufi, Mohammed Salah, Rachid Daoud, Achraf EL Allali, Mohammed Elalaoui Belghiti, Said Belaaouad

Abstract:

The present study aims to investigate the quantitative structure-activity relationship (QSAR) of a series of Thiazole derivatives reported as anticancer agents (hepatocellular carcinoma), using principally the electronic descriptors calculated by the density functional theory (DFT) method and by applying the multiple linear regression method. The developed model showed good statistical parameters (R²= 0.725, R²ₐ𝒹ⱼ= 0.653, MSE = 0.060, R²ₜₑₛₜ= 0.827, Q²𝒸ᵥ = 0.536). The energy of the highest occupied molecular orbital (EHOMO) orbital, electronic energy (TE), shape coefficient (I), number of rotatable bonds (NROT), and index of refraction (n) were revealed to be the main descriptors influencing the anti-cancer activity. Additional Thiazole derivatives were then designed and their activities and pharmacokinetic properties were predicted using the validated QSAR model. These designed molecules underwent evaluation through molecular docking (MD) and molecular dynamic (MD) simulations, with binding affinity calculated using the MMPBSA script according to a 100 ns simulation trajectory. This process aimed to study both their affinity and stability towards Cyclin-Dependent Kinase 2 (CDK2), a target protein for cancer disease treatment. The research concluded by identifying four CDK2 inhibitors - A1, A3, A5, and A6 - displaying satisfactory pharmacokinetic properties. MDs results indicated that the designed compound A5 remained stable in the active center of the CDK2 protein, suggesting its potential as an effective inhibitor for the treatment of hepatocellular carcinoma. The findings of this study could contribute significantly to the development of effective CDK2 inhibitors.

Keywords: QSAR, ADMET, Thiazole, anticancer, molecular docking, molecular dynamic simulations, MMPBSA calculation

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1 Phosphate Tailings in View of a Better Waste Disposal And/or Valorization: Case of Tunisian Phosphates Mines

Authors: Mouna Ettoumi, Jouini Marouen, Carmen Mihaela Neculita, Salah Bouhlel, Lucie Coudert, Mostafa Benzaazoua, Y. Taha

Abstract:

In the context of sustainable development and circular economy, waste valorization is considered a promising alternative to overcome issues related to their disposal or elimination. The aim of this study is to evaluate the potential use of phosphate sludges (tailings) from the Kef Shfeir mine site (Gafsa, Tunisia) as an alternative material in the production of fired bricks. To do so, representative samples of raw phosphate treatment sludges were collected and characterized for their physical, chemical, mineralogical and environmental characteristics. Then, the raw materials were baked at different temperatures (900°C, 1000°C, and 1100°C) for bricks making. Afterward, fired bricks were characterized for their physical (particle size distribution, density, and plasticity), chemical (XRF and digestion), mineralogical (XRD) and mechanical (flexural strength) properties as well as for their environmental behavior (TCLP, SPLP, and CTEU-9) to ensure whether they meet the required construction standards. Results showed that the raw materials had low density (2.47g/cm 3), were non-plastic and were mainly composed of fluoroapatite (15.6%), calcite (23.1%) and clays (22.2% - mainly as heulandite, vermiculite and palygorskite). With respect to the environmental behavior, all metals (e.g., Pb, Zn, As, Cr, Ba, Cd) complied with the requirements set by the USEPA. In addition, fired bricks had varying porosity (9-13%), firing shrinking (5.2-7.5%), water absorption (12.5-17.2%) and flexural strength (3.86-13.4 MPa). Noteworthy, an improvement in the properties (porosity, firing shrinking, water absorption, and flexural strength) of manufactured fired bricks was observed with the increase of firing temperature from 900 to 1100°C. All the measured properties complied with the construction norms and requirements. Moreover, regardless of the firing temperature, the environmental behavior of metals obeyed the requirements of the USEPA standards. Finally, fired bricks could be produced at high temperatures (1000°C) based on 100% of phosphate sludge without any substitution or addition of either chemical agents or binders. This sustainable brick-making process could be a promising approach for the Phosphate Company to partially manage these wastes, which are considered “non-profitable” for the moment and preserve soils that are exploited presently.

Keywords: phosphate treatment sludge, mine waste, backed bricks, waste valorization

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