Search results for: Yacine Moussaoui

Authors: Fetta Ait Ahsene-Aissat, Messaoud Hachemi, Yacine Moussaoui, Yacine Kerchiche

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Our study focuses on two important aspects, environmental by using a sub industrial product (FAD), by economic incorporation as an addition to Portland cement, thus improving resistance to compression and bending with different proportions ADF % up to 40 additions. We studied the effect of different substitutions 0%, 10%, 20%, and 40% of additions to the mechanical effect of the mortar. We obtained a compressive strength of 61 MPa at 90 days for the cement mixture porthland FAD-40% against a resistance of 58MPa for porthland cement without addition. The flexural strength also showed a marked increase in the cement substitution. We also monitored the behavior of the mixed ash-cement by XRD analysis and scanning electron microscopy (SEM).

Keywords: FAD, porthland, flexural strength, compressive strength, DRX

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Authors: F. Ait Ahsene-Aissat, Y. Kerchiche, Y. Moussaoui, M. Hachemi

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Environmental pollution is at the heart of the debate today, the pollutants released into the atmosphere must be measured and reduced to the norms of international releases. The industries pollution is caused by emissions of SO₂, CO and heavy metals in volatile form that must be quantified and monitored. This study presents a qualitative and quantitative analysis However, the collection of volatile heavy metals were performed by active sampling using an isokinetic. SO₂ gas for the maximum is reached for a value of 343 mg / m³, the SO₂ concentration far exceeds the standard releases SO₂ followed by incineration industries in Algeria. the concentration of Cr exceeds 8 times the standard, the Pb concentration in the excess of 6 times, the concentration of Fe has reached very high values exceeding the standard 30 times, the Zn concentration in the excess of 5 times, and the Ni the excess of 4 times and finally that of Cu is almost double of the standard.

Keywords: SO₂, CO, volatiles metals, active sampling isokinetic

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Authors: Yacine Arioua

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In this paper, we investigate the existence and uniqueness of solutions for a coupled system of nonlinear Caputo-type Katugampola fractional differential equations with integral boundary conditions. Based upon a contraction mapping principle, Schauders fixed point theorems, some new existence and uniqueness results of solutions for the given problems are obtained. For application, some examples are given to illustrate the usefulness of our main results.

Keywords: fractional differential equations, coupled system, Caputo-Katugampola derivative, fixed point theorems, existence, uniqueness

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Authors: Brahim Bahloul, Khatir Babesse, Azzedine Dkhira, Yacine Bahloul, Dalila Hammoutene

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In this paper, we investigate with ab initio calculations some structural and optoelectronic properties of Li₂S compound. The structural and electronic properties of the Li₂S antifluorite structure have been studied by first-principles calculations within the density functional theory (DFT), whereas the optical properties have been obtained using empirical relationships such as the modified Moss relation. Our calculated lattice parameters are in good agreement with the experimental data and other theoretical calculations. The electronic band structures and density of states were obtained. The anti-fluorite Li₂S present an indirect band gap of 3.388 eV at equilibrium. The top of the valence bands reflects the p electronic character for both structures. The calculated energy gaps and optical constants are in good agreement with experimental measurements.

Keywords: Ab initio calculations, antifluorite, electronic properties, optical properties

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Authors: Aymen Gammoudi, Hamza Labbaci, Nizar Messai, Yacine Sam

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Web Service Composition (Mash-up) has been considered as a new approach used to offer the user a set of Web Services responding to his request. These approaches can return a set of similar Mash-ups in a given context that makes users unable to select the perfect one. Recent approaches focus on computing the skyline over a set of Quality of Service (QoS) attributes. However, these approaches are not sufficient in a dynamic web service environment where the delivered QoS by a Web service is inherently uncertain. In this paper, we treat the problem of computing the skyline over a set of similar Mash-ups under certain dimension values. We generate dimensions for each Mash-up using aggregation operations applied to the QoS attributes. We then tackle the problem of computing the skyline under uncertain dimensions. We present each dimension value of mash-up using a frame of discernment and introduce the d-dominance using the Evidence Theory. Finally, we propose our experimental results that show both the effectiveness of the introduced skyline extensions and the efficiency of the proposed approaches.

Keywords: web services, uncertain QoS, mash-ups, uncertain dimensions, skyline, evidence theory, d-dominance

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Authors: R. Gounina-Allouane, I. Moussaoui, N. Boukahel

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Bacillus antimicrobial metabolites, especially those of Bacillus thuringiensis (Bt), are of great interest for research because of health risks generated by the excessive use of chemical additives as well as the propagation of resistant microbial strains, caused by the massive treatment with antibiotics. The objective of this study was the selection of Bt strains producing antimicrobial peptides (bacteriocins), and the partial purification of the most powerful bacteriocins, then the determination of their spectra of antimicrobial action. A collection of twenty one Bt strains isolated from soil at Boumerdès (northern Algeria) was used for screening strains having an antagonistic activity against phylogenetically closed bacteria. Spectra of antagonistic activity of two selected strains was determined against other Bt strains, Gram positive and Gram negative bacterial strains of clinical origin and others from ATCC collection as well as yeasts isolated in human dermatology. Bacteriocins of these two strains were partially purified and their effect on the kinetics of growth of the most sensitive microbial strains was studied. The bacteriocinogenic strains were biochemically characterized and their sensitivity to antibiotics was studied.

Keywords: antimicrobial peptides, Bacillus thuringiensis, bacteriocin, partial purification

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Authors: Montaceur Zaghdoud, Mohamed Moussaoui, Jalel Akaichi

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Frequent subgraph mining refers usually to graph matching and it is widely used in when analyzing big data with large graphs. A lot of research works dealt with structural exact or inexact graph matching but a little attention is paid to semantic matching when graph vertices and/or edges are attributed and typed. Therefore, it seems very interesting to integrate background knowledge into the analysis and that extracted frequent subgraphs should become more pruned by applying a new semantic filter instead of using only structural similarity in graph matching process. Consequently, this paper focuses on developing a new hybrid approximate structuralsemantic graph matching to discover a set of frequent subgraphs. It uses simultaneously an approximate structural similarity function based on graph edit distance function and a possibilistic vertices similarity function based on affinity function. Both structural and semantic filters contribute together to prune extracted frequent set. Indeed, new hybrid structural-semantic frequent subgraph mining approach searches will be suitable to be applied to several application such as community detection in social networks.

Keywords: approximate graph matching, hybrid frequent subgraph mining, graph mining, possibility theory

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Authors: H. Kadi, A. Moussaoui, A. Medah, N. Benayahia, Nahal Bouderba

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For thousands of years, Punica granatum L. has been used in traditional medicine all over the world and predate the introduction of antibacterial drugs. The aim of the present study was to investigate the antibacterial activity of aqueous and ethanolic extracts of Punica granatum L. bark obtained by decoction and maceration. The different extracts of Punica granatum L. (Lythraceae) bark have been tested for antibacterial activity against Gram-positive bacteria (Staphylococcus aureus, Bacillus stearothermophilus) and Gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa) by disc diffusion method. The ethanolic macerate extract showed the strong in vitro antibacterial activity against Pseudomonas aeruginosa with zone inhibition of 24.4 mm. However, the results tests by disc diffusion method revealed the effectiveness of ethanolic decoctate against Gram-positive bacteria (Staphylococcus aureus and Bacillus stearothermophilus) with diameter zone of inhibition varying with 21.1mm and 23.75 mm respectively.

Keywords: Punica granatum L. bark, antibacterial activity, maceration, decoction

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Authors: R. Gounina-Allouane, I. Moussaoui, N. Boukahel

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Bacillus antimicrobial metabolites, especially those of Bacillus thuringiensis (Bt), are of great interest for research because of health risks generated by the excessive use of chemical additives as well as the propagation of resistant microbial strains, caused by the massive treatment with antibiotics. The objective of this study was the selection of Bt strains producing antimicrobial peptides (bacteriocins), and the partial purification of the most powerful bacteriocins, then the determination of their spectra of antimicrobial action. A collection of twenty one Bt strains isolated from soil at Boumerdès (northern of Algeria) was used for screening strains having an antagonistic activity against phylogenetically closed bacteria. Spectra of antagonistic activity of two selected strains was determined against other Bt strains, Gram positive and Gram negative bacterial strains of clinical origin and others from ATCC collection as well as yeasts isolated in human dermatology. Bacteriocins of these two strains were partially purified and their effect on the kinetics of growth of the most sensitive microbial strains was studied. The bacteriocinogenic strains were biochemically characterized and their sensitivity to antibiotics was studied.

Keywords: antimicrobial peptides, Bacillus thuringiensis, bacteriocin, partial purification

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Authors: Raef Cherif, Houssine Bakkali, Wafaa El Khatiri, Yacine Yaddaden

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The analysis of how vibrations are transmitted between components is required in many engineering applications. Transfer path analysis (TPA) has been a valuable engineering tool for solving Noise, Vibration, and Harshness (NVH problems using sub-structuring applications. The most challenging part of a TPA analysis is estimating the equivalent forces at the contact points between the active and the passive side. Component TPA in situ Method calculates these forces by inverting the frequency response functions (FRFs) measured at the passive subsystem, relating the motion at indicator points to forces at the interface. However, matrix inversion could pose problems due to the ill-conditioning of the matrices leading to inaccurate results. This paper establishes a TPA model for an academic system consisting of two plates linked by four springs. A numerical study has been performed to improve the interface forces identification. Several parameters are studied and discussed, such as the singular value rejection and the number and position of indicator points chosen and used in the inversion matrix.

Keywords: transfer path analysis, matrix inverse method, indicator points, SVD decomposition

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Authors: Hamdi Amroun, Yacine Benziani, Mehdi Ammi

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In this paper, we want to determine whether the accurate prediction of nicotine concentration can be obtained by using a network of smart objects and an e-cigarette. The approach consists of, first, the recognition of factors influencing smoking cessation such as physical activity recognition and participant’s behaviors (using both smartphone and smartwatch), then the prediction of the configuration of the e-cigarette (in terms of nicotine concentration, power, and resistance of e-cigarette). The study uses a network of commonly connected objects; a smartwatch, a smartphone, and an e-cigarette transported by the participants during an uncontrolled experiment. The data obtained from sensors carried in the three devices were trained by a Long short-term memory algorithm (LSTM). Results show that our LSTM-based model allows predicting the configuration of the e-cigarette in terms of nicotine concentration, power, and resistance with a root mean square error percentage of 12.9%, 9.15%, and 11.84%, respectively. This study can help to better control consumption of nicotine and offer an intelligent configuration of the e-cigarette to users.

Keywords: Iot, activity recognition, automatic classification, unconstrained environment

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Authors: Naif Albelwi, Alan Kwan, Yacine Rezgui

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Cities with rapid growth face tremendous challenges not only to provide services to meet this growth but also to assure that this growth occurs in a sustainable way. The consumption of material, energy, and water resources is inextricably linked to population growth with a unique impact in urban areas, especially in light of significant investments in infrastructure to support urban development. Urban Metabolism (UM) is becoming popular as it provides a framework accounting the mass and energy flows through a city. The objective of this study is to determine the energy and material flows of Riyadh, Saudi Arabia using locally generated data from 1996 and 2012 and analyzing the temporal trends of energy and material flows. Preliminary results show that while the population of Riyadh grew 90% since 1996, the input and output flows have increased at higher rate. Results also show increasing in energy mobile consumption from 61k TJ in 1996 to 157k TJ in 2012 which points to Riyadh’s inefficient urban form. The study findings highlight the importance to develop effective policies for improving the use of resources.

Keywords: energy and water consumption, sustainability, urban development, urban metabolism

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Authors: Yacine Babou, Nitesh Ranjan, Branimir Radisavljevic , Martin Seeger, Daniel Over, Torsten Votteler, Bernardo Galletti, Paulo Cristini

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In the frame of replacement of Sulfur hexafluoride (SF6) gas as insulating and switching medium, diverse alternative gases, offering acceptable Global Warming Potential and fulfilling requirements in terms of heat dissipation, insulation and arc quenching performances are currently investigated for High Voltage Circuit Breaker applications. Among the potential gases, CO₂ seems a promising candidate for replacing SF6, because on one hand it is environmentally friendly, harmless, non-toxic, non-corrosive, non-flammable and on the other hand previous studies have demonstrated its fair interruption capabilities. The present study aims at investigating the performance of CO₂ for the thermal interruption in high voltage self-blast circuit breakers. In particular, the correlation between thermal interruption performance and arc voltage is considered and the effect of the arc-network interaction on the performance is rigorously analyzed. For the considered designs, the thermal interruption was evaluated by varying the slope at current zero (i.e., di/dt) for which the breaker could interrupt. Besides, the characteristics of the post-arc current are examined in detail for various rated voltages and currents. The outcome of these experimental investigations will be reported and analyzed.

Keywords: current zero measurement, high voltage circuit breaker, thermal arc discharge, thermal interruption

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Authors: Taha Bensiradj, Samira Moussaoui

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Hybrid Sensors and Vehicular Networks (HSVN), represent a hybrid network, which uses several generations of Ad-Hoc networks. It is used especially in Intelligent Transport Systems (ITS). The HSVN allows making collaboration between the Wireless Sensors Network (WSN) deployed on the border of the road and the Vehicular Network (VANET). This collaboration is defined by messages exchanged between the two networks for the purpose to inform the drivers about the state of the road, provide road safety information and more information about traffic on the road. Moreover, this collaboration created by HSVN, also allows the use of a network and the advantage of improving another network. For example, the dissemination of information between the sensors quickly decreases its energy, and therefore, we can use vehicles that do not have energy constraint to disseminate the information between sensors. On the other hand, to solve the disconnection problem in VANET, the sensors can be used as gateways that allow sending the messages received by one vehicle to another. However, because of the short communication range of the sensor and its low capacity of storage and processing of data, it is difficult to ensure the exchange of road messages between it and the vehicle, which can be moving at high speed at the time of exchange. This represents the time where the vehicle is in communication range with the sensor. This work is the proposition of a communication protocol between the sensors and the vehicle used in HSVN. The latter has as the purpose to ensure the exchange of road messages in the available time of exchange.

Keywords: HSVN, ITS, VANET, WSN

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Authors: Mustapha Bouhoun Ali, Ahmed Yacine Badjah Hadj Ahmed, Mouloud Attou, Abdel Hamid Elias, Mohamed Amine Didi

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The extraction of uranium(VI) from aqueous solutions has been investigated using 1-hydroxyhexadecylidene-1,1-diphosphonic acid (HHDPA) and 1-hydroxydodecylidene-1,1-diphosphonic acid (HDDPA), which were synthesized and characterized by elemental analysis and by FT-IR, 1H NMR, 31P NMR spectroscopy. In this paper, we propose a tentative assignment for the shifts of those two ligands and their specific complexes with uranium(VI). We carried out the extraction of uranium(VI) by HHDPA and HDDPA from [carbon tetrachloride + 2-octanol (v/v: 90%/10%)] solutions. Various factors such as contact time, pH, organic/aqueous phase ratio and extractant concentration were considered. The optimum conditions obtained were: contact time = 20 min, organic/aqueous phase ratio = 1, pH value = 3.0 and extractant concentration = 0.3M. The extraction yields are more significant in the case of the HHDPA which is equipped with a hydrocarbon chain, longer than that of the HDDPA. Logarithmic plots of the uranium(VI) distribution ratio vs. pHeq and the extractant concentration showed that the ratio of extractant to extracted uranium(VI) (ligand/metal) is 2:1. The formula of the complex of uranium(VI) with the HHDPA and the DHDPA is UO2(H3L)2 (HHDPA and DHDPA are denoted as H4L). A spectroscopic analysis has showed that coordination of uranium(VI) takes place via oxygen atoms.

Keywords: liquid-liquid extraction, uranium(VI), 1-hydroxyalkylidene-1, 1-diphosphonic acids, HHDPA, HDDPA, aqueous solution

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Authors: Abadou Yacine, Faid Hayette

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Significant investigations were performed on the use and impact on physical properties along with the mechanical strength of the recycled and reused E-glass waste powder. However, it has been modelled how recycled display e-waste glass may affect the characteristics and qualities of dune sand mortar. To be involved in this field, an investigation has been done with the substitution of dune sand for recycled E-glass waste and constant water-cement ratios. The linear relationship between the dune sand mortar and E-glass mortar mix % contributes to the model's reliability. The experimental data was exposed to regression analysis using JMP Statistics software. The regression model with one predictor presented the general form of the equation for the prediction of the five properties' characteristics of dune sand mortar from the substitution ratio of E-waste glass and curing age. The results illustrate that curing a long-term process produced an E-glass waste mortar specimen with the highest compressive strength of 68 MPa in the laboratory environment. Anova analysis indicated that the curing at long-term has the utmost importance on the sorptivity level and ultrasonic pulse velocity loss. Furthermore, the E-glass waste powder percentage has the utmost importance on the compressive strength and improvement in dynamic elasticity modulus. Besides, a significant enhancement of radiation-shielding applications.

Keywords: ANOVA analysis, E-glass waste, durability and sustainability, radiation-shielding

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Authors: Hamdi Amroun, Yacine Benziani, Mehdi Ammi

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In this paper, we propose an approach of detecting the behavior of the viewers of a TV program in a non-controlled environment. The experiment we propose is based on the use of three types of connected objects (smartphone, smart watch, and a connected remote control). 23 participants were observed while watching their TV programs during three phases: before, during and after watching a TV program. Their behaviors were detected using an approach based on The Dempster Shafer Theory (DST) in two phases. The first phase is to approximate dynamically the mass functions using an approach based on the correlation coefficient. The second phase is to calculate the approximate mass functions. To approximate the mass functions, two approaches have been tested: the first approach was to divide each features data space into cells; each one has a specific probability distribution over the behaviors. The probability distributions were computed statistically (estimated by empirical distribution). The second approach was to predict the TV-viewing behaviors through the use of classifiers algorithms and add uncertainty to the prediction based on the uncertainty of the model. Results showed that mixing the fusion rule with the computation of the initial approximate mass functions using a classifier led to an overall of 96%, 95% and 96% success rate for the first, second and third TV-viewing phase respectively. The results were also compared to those found in the literature. This study aims to anticipate certain actions in order to maintain the attention of TV viewers towards the proposed TV programs with usual connected objects, taking into account the various uncertainties that can be generated.

Keywords: Iot, TV-viewing behaviors identification, automatic classification, unconstrained environment

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Authors: Saker Lilia, Youcef Mellouki, Lakhdar Sellami, Yacine Zerairia, Abdelhaid Zetili, Fatma Guahria, Fateh Kaious, Nesrine Belkhodja, Abdelhamid Mira

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Background: Sudden death is regarded as a suspicious demise necessitating autopsy, as stipulated by legal authorities. Chronic disseminated intravascular coagulation (DIC) is an acquired clinical and biological syndrome characterized by a severe and fatal prognosis, stemming from systemic, uncontrolled, diffuse coagulation activation. Irrespective of their origins, DIC is associated with a diverse spectrum of manifestations, encompassing minor biological coagulation alterations to profoundly severe conditions wherein hemorrhagic complications may take precedence. Simultaneously, microthrombi contribute to the development of multi-organ failures. Objective This study seeks to evaluate the role of autopsy in determining the causes of death. Materials and Methods: We present two instances of sudden death involving females who underwent autopsy at the Forensic Medicine Department of the University Hospital of Annaba, Algeria. These autopsies were performed at the request of the prosecutor, aiming to determine the causes of death and illuminate the exact circumstances surrounding it. Methods Utilized: Analysis of the initial information report; Findings from postmortem examinations; Histological assessments and toxicological analyses. Results: The presence of DIC was noted, affecting nearly all veins with distinct etiologies. Conclusion: For the establishment of a meaningful diagnosis: • Thorough understanding of the subject matter is imperative; • Precise alignment with medicolegal data is essential.

Keywords: chronic disseminated intravascular coagulation, sudden death, autopsy, causes of death

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Authors: Mouna Baassi, Mohamed Moussaoui, Hatim Soufi, Sanchaita RajkhowaI, Ashwani Sharma, Subrata Sinha, Said Belaaouad

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Human Immunodeficiency Virus type 1 protease (HIV-1 PR) is one of the most challenging targets of antiretroviral therapy used in the treatment of AIDS-infected people. The performance of protease inhibitors (PIs) is limited by the development of protease mutations that can promote resistance to the treatment. The current study was carried out using statistics and bioinformatics tools. A series of thirty-three compounds with known enzymatic inhibitory activities against HIV-1 protease was used in this paper to build a mathematical model relating the structure to the biological activity. These compounds were designed by software; their descriptors were computed using various tools, such as Gaussian, Chem3D, ChemSketch and MarvinSketch. Computational methods generated the best model based on its statistical parameters. The model’s applicability domain (AD) was elaborated. Furthermore, one compound has been proposed as efficient against HIV-1 protease with comparable biological activity to the existing ones; this drug candidate was evaluated using ADMET properties and Lipinski’s rule. Molecular Docking performed on Wild Type and Mutant Type HIV-1 proteases allowed the investigation of the interaction types displayed between the proteases and the ligands, Darunavir (DRV) and the new drug (ND). Molecular dynamics simulation was also used in order to investigate the complexes’ stability, allowing a comparative study of the performance of both ligands (DRV & ND). Our study suggested that the new molecule showed comparable results to that of Darunavir and may be used for further experimental studies. Our study may also be used as a pipeline to search and design new potential inhibitors of HIV-1 proteases.

Keywords: QSAR, ADMET properties, molecular docking, molecular dynamics simulation.

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Authors: Mohamed Moussaoui

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A series of thirty-one potential inhibitors targeting the epidermal growth factor receptor kinase (EGFR), derived from quinazoline, underwent 3D-QSAR analysis using CoMFA and CoMSIA methodologies. The training and test sets of quinazoline derivatives were utilized to construct and validate the QSAR models, respectively, with dataset alignment performed using the lowest energy conformer of the most active compound. The best-performing CoMFA and CoMSIA models demonstrated impressive determination coefficients, with R² values of 0.981 and 0.978, respectively, and Leave One Out cross-validation determination coefficients, Q², of 0.645 and 0.729, respectively. Furthermore, external validation using a test set of five compounds yielded predicted determination coefficients, R² test, of 0.929 and 0.909 for CoMFA and CoMSIA, respectively. Building upon these promising results, eighteen new compounds were designed and assessed for drug likeness and ADMET properties through in silico methods. Additionally, molecular docking studies were conducted to elucidate the binding interactions between the selected compounds and the enzyme. Detailed molecular dynamics simulations were performed to analyze the stability, conformational changes, and binding interactions of the quinazoline derivatives with the EGFR kinase. These simulations provided deeper insights into the dynamic behavior of the compounds within the active site. This comprehensive analysis enhances the understanding of quinazoline derivatives as potential anti-cancer agents and provides valuable insights for lead optimization in the early stages of drug discovery, particularly for developing highly potent anticancer therapeutics

Keywords: 3D-QSAR, CoMFA, CoMSIA, ADMET, molecular docking, quinazoline, molecular dynamic, egfr inhibitors, lung cancer, anticancer

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Authors: Kaznah Alshammari, Thomas Beach, Yacine Rezgui

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Technological advances in the construction sector are helping to make smart cities a reality by means of cyber-physical systems (CPS). CPS integrate information and the physical world through the use of information communication technologies (ICT). An increasingly common goal in the built environment is to integrate building information models (BIM) with the Internet of Things (IoT) and sensor technologies using CPS. Future advances could see the adoption of digital twins, creating new opportunities for CPS using monitoring, simulation, and optimisation technologies. However, researchers often fail to fully consider the security implications. To date, it is not widely possible to assimilate BIM data and cybersecurity concepts, and, therefore, security has thus far been overlooked. This paper reviews the empirical literature concerning IoT applications in the built environment and discusses real-world applications of the IoT intended to enhance construction practices, people’s lives and bolster cybersecurity. Specifically, this research addresses two research questions: (a) how suitable are the current IoT and CPS security stacks to address the cybersecurity threats facing digital twins in the context of smart buildings and districts? and (b) what are the current obstacles to tackling cybersecurity threats to the built environment CPS? To answer these questions, this paper reviews the current state-of-the-art research concerning digital twins in the built environment, the IoT, BIM, urban cities, and cybersecurity. The results of these findings of this study confirmed the importance of using digital twins in both IoT and BIM. Also, eight reference zones across Europe have gained special recognition for their contributions to the advancement of IoT science. Therefore, this paper evaluates the use of digital twins in CPS to arrive at recommendations for expanding BIM specifications to facilitate IoT compliance, bolster cybersecurity and integrate digital twin and city standards in the smart cities of the future.

Keywords: BIM, cybersecurity, digital twins, IoT, urban cities

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

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

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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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Authors: Ali Al Moussaoui

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An experiment was designed to assess the performance of 24 Lebanese adults (mean age 29:5 years) in a lexical decision making (LDM) task to find out how the facilitatory effect of phonological priming (PP) affects the speed of visual word recognition in Arabic as lexicality (wordhood) and phonological overlap positions (POP) vary. The experiment falls in line with previous research on phonological priming in the light of the cohort theory and in relation to visual word recognition. The experiment also departs from the research on the Arabic language in which the importance of the consonantal root as a distinct morphological unit is confirmed. Based on previous research, it is hypothesized that (1) PP has a facilitating effect in LDM with words but not with nonwords and (2) final phonological overlap between the prime and the target is more facilitatory than initial overlap. An LDM task was programmed on PsychoPy application. Participants had to decide if a target (e.g., bayn ‘between’) preceded by a prime (e.g., bayt ‘house’) is a word or not. There were 4 conditions: no PP (NP), nonwords priming nonwords (NN), nonwords priming words (NW), and words priming words (WW). The conditions were simultaneously controlled for word length, wordhood, and POP. The interstimulus interval was 700 ms. Within the PP conditions, POP was controlled for in which there were 3 overlap positions between the primes and the targets: initial (e.g., asad ‘lion’ and asaf ‘sorrow’), final (e.g., kattab ‘cause to write’ 2sg-mas and rattab ‘organize’ 2sg-mas), or two-segmented (e.g., namle ‘ant’ and naħle ‘bee’). There were 96 trials, 24 in each condition, using a within-subject design. The results show that concerning (1), the highest average reaction time (RT) is that in NN, followed firstly by NW and finally by WW. There is statistical significance only between the pairs NN-NW and NN-WW. Regarding (2), the shortest RT is that in the two-segmented overlap condition, followed by the final POP in the first place and the initial POP in the last place. The difference between the two-segmented and the initial overlap is significant, while other pairwise comparisons are not. Based on these results, PP emerges as a facilitatory phenomenon that is highly sensitive to lexicality and POP. While PP can have a facilitating effect under lexicality, it shows no facilitation in its absence, which intersects with several previous findings. Participants are found to be more sensitive to the final phonological overlap than the initial overlap, which also coincides with a body of earlier literature. The results contradict the cohort theory’s stress on the onset overlap position and, instead, give more weight to final overlap, and even heavier weight to the two-segmented one. In conclusion, this study confirms the facilitating effect of PP with words but not when stimuli (at least the primes and at most both the primes and targets) are nonwords. It also shows that the two-segmented priming is the most influential in LDM in Arabic.

Keywords: lexicality, phonological overlap positions, phonological priming, visual word recognition

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Authors: Oubelkacem Yacine, El Bast Hassan, El Bakkali Abdelmajid, Lamhasni Taibi, Ettakni Mahmoud, Ait Lyazidi Saadia, Haddad Mustapha, Ben-Ncer Abdelouahed, El Ferrane Mohammed, Boufarra Abdelkrim

Abstract:

The present work relates to an on-site and completely non-invasive investigation of one of the most famous west Mediterranean Torah Scroll housed at the National Library of the Kingdom of Morocco. The scroll is 26 m long and consists of 143 parchment sheets of 59 cm x 19 cm, exhibiting only black writings; it is of unknown age. The artifact has been restored by the curator staff of the library. The investigation exploring separately the parchment support and the writing black ink aims at: i) the examination of the parchment conservation/degradation state, ii) the identification of the black ink and iii) the identification of the parchment handcrafting materials. For this purpose, the analyses have been based on combining all of elemental XRF and structural Raman, ATR-FT Infrared Red and Fiber Optical Reflectance spectroscopies, in addition to chroma-metric and pH measurements. pH measurements showing values around 6.5 are in concordance with the absence of any visual corrosion related to the parchment acidity. However, on the basis of the relative intensities and frequency shift of amid I (AI) and amid II (AII) vibrational bands of the collagen, ATR-FTIR spectra revealed diffuse hydrolysis and gelatinization of the parchment writing support; diffuse and non-homogeny degradation by gelatinization has been also confirmed by the IG gelatinization index deduced from the NIR bands on the FOR spectra. This IG index, defined as the ratio I (6860 cm-1) / I (6685 cm-1), ranges in the interval 0.98 – 1 and highlights collagen degradation at the molecular level. Sequentially Shifted Excitation Raman measurements (SSERS) crossed to X-ray fluorescence (XRF) ones on the black writings revealed that the black ink used is an iron-copper gall one, while FOR spectra are typical of pure metal gall inks. These later reflectance measurements exclude, thus, any intentional addition of carbon black to the ink recipe. Moreover, no lead white had been used while pre-drawing the writing lines. On another side, ATR-FTIR measurements highlighted the presence of oxalates as ink degradation products. Considering the parchment handcrafting, the combination of XRF and ATR-FTIR measurements led to the assumption that this writing support had been prepared according to ancient Middle East practices; the parchment infrared fingerprint seems identical to that of the Dead Sea scroll. The present multi-technical analyses are the first ones performed on an ancient Judaic written parchment of Morocco; it is under furthering. The investigation will be extended to other parchments belonging to the Jewish Cultural Heritage Museum of Morocco in Casablanca.

Keywords: torah scroll, parchment, black ink, non-invasive analyses, XRF/ATR-FTIR/RAMAN/FORS

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Authors: Julia Terlet, Thomas H. Beach, Yacine Rezgui

Abstract:

Urbanization, population growth, climate change and the current increase in water demand have made the adoption of innovative demand management strategies crucial to the water industry. Water conservation in urban areas has to be improved by encouraging consumers to adopt more sustainable habits and behaviours. This includes informing and educating them about their households’ water consumption and advising them about ways to achieve significant savings on a daily basis. This paper presents a study conducted in the context of the European FP7 WISDOM Project. By integrating innovative Information and Communication Technologies (ICT) frameworks, this project aims at achieving a change in water savings. More specifically, behavioural change will be attempted by implementing smart meters and in-home displays in a trial group of selected households within Cardiff (UK). Using this device, consumers will be able to receive feedback and information about their consumption but will also have the opportunity to compare their consumption to the consumption of other consumers and similar households. Following an initial survey, it appeared necessary to implement these in-home displays in a way that matches consumer's motivations to save water. The results demonstrated the importance of various factors influencing people’s daily water consumption. Both the relevant literature on the subject and the results of our survey therefore led us to include within the in-home device a variety of elements. It first appeared crucial to make consumers aware of the economic aspect of water conservation and especially of the significant financial savings that can be achieved by reducing their household’s water consumption on the long term. Likewise, reminding participants of the impact of their consumption on the environment by making them more aware of water scarcity issues around the world will help increasing their motivation to save water. Additionally, peer pressure and social comparisons with neighbours and other consumers, accentuated by the use of online social networks such as Facebook or Twitter, will likely encourage consumers to reduce their consumption. Participants will also be able to compare their current consumption to their past consumption and to observe the consequences of their efforts to save water through diverse graphs and charts. Finally, including a virtual water game within the display will help the whole household, children and adults, to achieve significant reductions by providing them with simple tips and advice to save water on a daily basis. Moreover, by setting daily and weekly goals for them to reach, the game will expectantly generate cooperation between family members. Members of each household will indeed be encouraged to work together to reduce their water consumption within different rooms of the house, such as the bathroom, the kitchen, or the toilets. Overall, this study will allow us to understand the elements that attract consumers the most and the features that are most commonly used by the participants. In this way, we intend to determine the main factors influencing water consumption in order to identify the measures that will most encourage water conservation in both the long and short term.

Keywords: behavioural change, ICT technologies, water consumption, water conservation

Procedia PDF Downloads 337