Search results for: biological molecular networks
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 6664

Search results for: biological molecular networks

6604 Topological Analysis of Hydrogen Bonds in Pyruvic Acid-Water Mixtures

Authors: Ferid Hammami

Abstract:

The molecular geometries of the possible conformations of pyruvic acid-water complexes (PA-(H₂O)ₙ = 1- 4) have been fully optimized at DFT/B3LYP/6-311G ++ (d, p) levels of calculation. Among several optimized molecular clusters, the most stable molecular arrangements obtained when one, two, three, and four water molecules are hydrogen-bonded to a central pyruvic acid molecule are presented in this paper. Apposite topological and geometrical parameters are considered as primary indicators of H-bond strength. Atoms in molecules (AIM) analysis shows that pyruvic acid can form a ring structure with water, and the molecular structures are stabilized by both strong O-H...O and C-H...O hydrogen bonds. In large clusters, classical O-H...O hydrogen bonds still exist between water molecules, and a cage-like structure is built around some parts of the central molecule of pyruvic acid. The electrostatic potential energy map (MEP) and the HOMO-LUMO molecular orbital (highest occupied molecular orbital-lowest unoccupied molecular orbital) analysis has been performed for all considered complexes.

Keywords: pyruvic acid, PA-water complex, hydrogen bonding, DFT, AIM, MEP, HOMO-LUMO

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6603 Governance Networks of China’s Neighborhood Micro-Redevelopment: The Case of Haikou

Authors: Lin Zhang

Abstract:

Neighborhood redevelopment is vital to improve residents’ living environment, and there has been a national neighborhood micro-redevelopment initiative in China since 2020, which is largely different from the previous large-scale demolition and reconstruction projects. Yet, few studies systematically examine the new interactions of multiple actors in this initiative. China’s neighborhood (micro-) redevelopment is a kind of governance network, and the complexity perspective could reflect the dynamic nature of multiple actors and their relationships in governance networks. In order to better understand the fundamental shifts of governance networks in China’s neighborhood micro-redevelopment, this paper adopted a theoretical framework of complexity in governance networks and analyzed the new governance networks of neighborhood micro-redevelopment projects in Haikou accordingly.

Keywords: neighborhood redevelopment, governance, networks, Haikou

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6602 Cluster-Based Multi-Path Routing Algorithm in Wireless Sensor Networks

Authors: Si-Gwan Kim

Abstract:

Small-size and low-power sensors with sensing, signal processing and wireless communication capabilities is suitable for the wireless sensor networks. Due to the limited resources and battery constraints, complex routing algorithms used for the ad-hoc networks cannot be employed in sensor networks. In this paper, we propose node-disjoint multi-path hexagon-based routing algorithms in wireless sensor networks. We suggest the details of the algorithm and compare it with other works. Simulation results show that the proposed scheme achieves better performance in terms of efficiency and message delivery ratio.

Keywords: clustering, multi-path, routing protocol, sensor network

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6601 Cannabis Sativa L as Natural Source of Promising Anti-Alzheimer Drug Candidates: A Comprehensive Computational Approach Including Molecular Docking, Molecular Dynamics, Admet and MM-PBSA Studies

Authors: Hassan Nour, Nouh Mounadi, Oussama Abchir, Belaidi Salah, Samir Chtita

Abstract:

Cholinesterase enzymes are biological catalysts essential for the transformation of acetylcholine, which is a neurotransmitter implicated in memory and learning, into acetic acid and choline, altering the neurotransmission process in Alzheimer’s disease patients. Therefore, inhibition of cholinesterase enzymes is a relevant strategy for the symptomatic treatment of Alzheimer’s disease. The current investigation aims to explore potential Cholinesterase (ChE) inhibitors through a comprehensive computational approach. Forty-nine phytoconstituents extracted from Cannabis sativa L were in-silico screened using molecular docking, pharmacokinetic and toxicological analysis to evaluate their possible inhibitory effect towards the cholinesterase enzymes. Two phytoconstituents belonging to cannabinoid derivatives were revealed to be promising candidates for Alzheimer therapy by acting as cholinesterase inhibitors. They have exhibited high binding affinities towards the cholinesterase enzymes and showed their ability to interact with key residues involved in cholinesterase enzymatic activity. In addition, they presented good ADMET profiles allowing them to be promising oral drug candidates. Furthermore, molecular dynamics (MD) simulations were executed to explore their interactions stability under mimetic biological conditions and thus support our findings. To corroborate the docking results, the binding free energy corresponding to the more stable ligand-ChE complexes was re-estimated by applying the MM-PBSA method. MD and MM-PBSA studies affirmed that the ligand-ChE recognition is spontaneous reaction leading to stable complexes. The conducted investigations have led to great findings that would strongly guide the pharmaceutical industries towards the rational development of potent anti-Alzheimer agents.

Keywords: alzheimer’s disease, molecular docking, cannabis sativa l, cholinesterase inhibitors

Procedia PDF Downloads 49
6600 Characterization on Molecular Weight of Polyamic Acids Using GPC Coupled with Multiple Detectors

Authors: Mei Hong, Wei Liu, Xuemin Dai, Yanxiong Pan, Xiangling Ji

Abstract:

Polyamic acid (PAA) is the precursor of polyimide (PI) prepared by a two-step method, its molecular weight and molecular weight distribution not only play an important role during the preparation and processing, but also influence the final performance of PI. However, precise characterization on molecular weight of PAA is still a challenge because of the existence of very complicated interactions in the solution system, including the electrostatic interaction, hydrogen bond interaction, dipole-dipole interaction, etc. Thus, it is necessary to establisha suitable strategy which can completely suppress these complex effects and get reasonable data on molecular weight. Herein, the gel permeation chromatography (GPC) coupled with differential refractive index (RI) and multi-angle laser light scattering (MALLS) detectors were applied to measure the molecular weight of (6FDA-DMB) PAA using different mobile phases, LiBr/DMF, LiBr/H3PO4/THF/DMF, LiBr/HAc/THF/DMF, and LiBr/HAc/DMF, respectively. It was found that combination of LiBr with HAc can shield the above-mentioned complex interactions and is more conducive to the separation of PAA than only addition of LiBr in DMF. LiBr/HAc/DMF was employed for the first time as a mild mobile phase to effectively separate PAA and determine its molecular weight. After a series of conditional experiments, 0.02M LiBr/0.2M HAc/DMF was fixed as an optimized mobile phase to measure the relative and absolute molecular weights of (6FDA-DMB) PAA prepared, and the obtained Mw from GPC-MALLS and GPC-RI were 35,300 g/mol and 125,000 g/mol, respectively. Particularly, such a mobile phase is also applicable to other PAA samples with different structures, and the final results on molecular weight are also reproducible.

Keywords: Polyamic acids, Polyelectrolyte effects, Gel permeation chromatography, Mobile phase, Molecular weight

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6599 Software-Defined Networks in Utility Power Networks

Authors: Ava Salmanpour, Hanieh Saeedi, Payam Rouhi, Elahe Hamzeil, Shima Alimohammadi, Siamak Hossein Khalaj, Mohammad Asadian

Abstract:

Software-defined network (SDN) is a network architecture designed to control network using software application in a central manner. This ability enables remote control of the whole network regardless of the network technology. In fact, in this architecture network intelligence is separated from physical infrastructure, it means that required network components can be implemented virtually using software applications. Today, power networks are characterized by a high range of complexity with a large number of intelligent devices, processing both huge amounts of data and important information. Therefore, reliable and secure communication networks are required. SDNs are the best choice to meet this issue. In this paper, SDN networks capabilities and characteristics will be reviewed and different basic controllers will be compared. The importance of using SDNs to escalate efficiency and reliability in utility power networks is going to be discussed and the comparison between the SDN-based power networks and traditional networks will be explained.

Keywords: software-defined network, SDNs, utility network, open flow, communication, gas and electricity, controller

Procedia PDF Downloads 86
6598 Using Gene Expression Programming in Learning Process of Rough Neural Networks

Authors: Sanaa Rashed Abdallah, Yasser F. Hassan

Abstract:

The paper will introduce an approach where a rough sets, gene expression programming and rough neural networks are used cooperatively for learning and classification support. The Objective of gene expression programming rough neural networks (GEP-RNN) approach is to obtain new classified data with minimum error in training and testing process. Starting point of gene expression programming rough neural networks (GEP-RNN) approach is an information system and the output from this approach is a structure of rough neural networks which is including the weights and thresholds with minimum classification error.

Keywords: rough sets, gene expression programming, rough neural networks, classification

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6597 Molecular Modeling of 17-Picolyl and 17-Picolinylidene Androstane Derivatives with Anticancer Activity

Authors: Sanja Podunavac-Kuzmanović, Strahinja Kovačević, Lidija Jevrić, Evgenija Djurendić, Jovana Ajduković

Abstract:

In the present study, the molecular modeling of a series of 24 17-picolyl and 17-picolinylidene androstane derivatives whit significant anticancer activity was carried out. Modelling of studied compounds was performed by CS ChemBioDraw Ultra v12.0 program for drawing 2D molecular structures and CS ChemBio3D Ultra v12.0 for 3D molecular modelling. The obtained 3D structures were subjected to energy minimization using molecular mechanics force field method (MM2). The cutoff for structure optimization was set at a gradient of 0.1 kcal/Åmol. Full geometry optimization was done by the Austin Model 1 (AM1) until the root mean square (RMS) gradient reached a value smaller than 0.0001 kcal/Åmol using Molecular Orbital Package (MOPAC) program. The obtained physicochemical, lipophilicity and topological descriptors were used for analysis of molecular similarities and dissimilarities applying suitable chemometric methods (principal component analysis and cluster analysis). These results are the part of the project No. 114-451-347/2015-02, financially supported by the Provincial Secretariat for Science and Technological Development of Vojvodina and CMST COST Action CM1306.

Keywords: androstane derivatives, anticancer activity, chemometrics, molecular descriptors

Procedia PDF Downloads 333
6596 Study of the Use of Artificial Neural Networks in Islamic Finance

Authors: Kaoutar Abbahaddou, Mohammed Salah Chiadmi

Abstract:

The need to find a relevant way to predict the next-day price of a stock index is a real concern for many financial stakeholders and researchers. We have known across years the proliferation of several methods. Nevertheless, among all these methods, the most controversial one is a machine learning algorithm that claims to be reliable, namely neural networks. Thus, the purpose of this article is to study the prediction power of neural networks in the particular case of Islamic finance as it is an under-looked area. In this article, we will first briefly present a review of the literature regarding neural networks and Islamic finance. Next, we present the architecture and principles of artificial neural networks most commonly used in finance. Then, we will show its empirical application on two Islamic stock indexes. The accuracy rate would be used to measure the performance of the algorithm in predicting the right price the next day. As a result, we can conclude that artificial neural networks are a reliable method to predict the next-day price for Islamic indices as it is claimed for conventional ones.

Keywords: Islamic finance, stock price prediction, artificial neural networks, machine learning

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6595 Use of Social Networks and Mobile Technologies in Education

Authors: Václav Maněna, Roman Dostál, Štěpán Hubálovský

Abstract:

Social networks play an important role in the lives of children and young people. Along with the high penetration of mobile technologies such as smartphones and tablets among the younger generation, there is an increasing use of social networks already in elementary school. The paper presents the results of research, which was realized at schools in the Hradec Králové region. In this research, the authors focused on issues related to communications on social networks for children, teenagers and young people in the Czech Republic. This research was conducted at selected elementary, secondary and high schools using anonymous questionnaires. The results are evaluated and compared with the results of the research, which has been realized in 2008. The authors focused on the possibilities of using social networks in education. The paper presents the possibility of using the most popular social networks in education, with emphasis on increasing motivation for learning. The paper presents comparative analysis of social networks, with regard to the possibility of using in education as well.

Keywords: social networks, motivation, e-learning, mobile technology

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6594 The Nature and the Structure of Scientific and Innovative Collaboration Networks

Authors: Afshin Moazami, Andrea Schiffauerova

Abstract:

The objective of this work is to investigate the development and the role of collaboration networks in the creation of knowledge and innovations in the US and Canada, with a special focus on Quebec. In order to create scientific networks, the data on journal articles were extracted from SCOPUS, and the networks were built based on the co-authorship of the journal papers. For innovation networks, the USPTO database was used, and the networks were built on the patent co-inventorship. Various indicators characterizing the evolution of the network structure and the positions of the researchers and inventors in the networks were calculated. The comparison between the United States, Canada, and Quebec was then carried out. The preliminary results show that the nature of scientific collaboration networks differs from the one seen in innovation networks. Scientists work in bigger teams and are mostly interconnected within one giant network component, whereas the innovation network is much more clustered and fragmented, the inventors work more repetitively with the same partners, often in smaller isolated groups. In both Canada and the US, an increasing tendency towards collaboration was observed, and it was found that networks are getting bigger and more centralized with time. Moreover, a declining share of knowledge transfers per scientist was detected, suggesting an increasing specialization of science. The US collaboration networks tend to be more centralized than the Canadian ones. Quebec shares a lot of features with the Canadian network, but some differences were observed, for example, Quebec inventors rely more on the knowledge transmission through intermediaries.

Keywords: Canada, collaboration, innovation network, scientific network, Quebec, United States

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6593 Hypergraph Models of Metabolism

Authors: Nicole Pearcy, Jonathan J. Crofts, Nadia Chuzhanova

Abstract:

In this paper, we employ a directed hypergraph model to investigate the extent to which environmental variability influences the set of available biochemical reactions within a living cell. Such an approach avoids the limitations of the usual complex network formalism by allowing for the multilateral relationships (i.e. connections involving more than two nodes) that naturally occur within many biological processes. More specifically, we extend the concept of network reciprocity to complex hyper-networks, thus enabling us to characterize a network in terms of the existence of mutual hyper-connections, which may be considered a proxy for metabolic network complexity. To demonstrate these ideas, we study 115 metabolic hyper-networks of bacteria, each of which can be classified into one of 6 increasingly varied habitats. In particular, we found that reciprocity increases significantly with increased environmental variability, supporting the view that organism adaptability leads to increased complexities in the resultant biochemical networks.

Keywords: complexity, hypergraphs, reciprocity, metabolism

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6592 The Impact of Different Social Networks on the Development of Digital Entrepreneurship

Authors: Mohammad Mehdizadeh, Sara Miri

Abstract:

In today's world, competition is one of the essential components of different markets. Therefore, in addition to economic factors, social factors can also affect the development and prosperity of businesses. In this regard, social networks are of particular importance and play a critical role in the flourishing and development of Internet businesses. The purpose of this article is to investigate the effect of different social networks in promoting digital entrepreneurship. The research method is the descriptive survey. The results show that social networks have a positive and significant impact on digital entrepreneurship development. Among the social networks studied, Instagram and Facebook have the most positive effect on digital entrepreneurship.

Keywords: entrepreneurship, Facebook, Instagram, social media

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6591 An Insight into the Conformational Dynamics of Glycan through Molecular Dynamics Simulation

Authors: K. Veluraja

Abstract:

Glycan of glycolipids and glycoproteins is playing a significant role in living systems particularly in molecular recognition processes. Molecular recognition processes are attributed to their occurrence on the surface of the cell, sequential arrangement and type of sugar molecules present in the oligosaccharide structure and glyosidic linkage diversity (glycoinformatics) and conformational diversity (glycoconformatics). Molecular Dynamics Simulation study is a theoretical-cum-computational tool successfully utilized to establish glycoconformatics of glycan. The study on various oligosaccharides of glycan clearly indicates that oligosaccharides do exist in multiple conformational states and these conformational states arise due to the flexibility associated with a glycosidic torsional angle (φ,ψ) . As an example: a single disaccharide structure NeuNacα(2-3) Gal exists in three different conformational states due to the differences in the preferential value of glycosidic torsional angles (φ,ψ). Hence establishing three dimensional structural and conformational models for glycan (cartesian coordinates of every individual atoms of an oligosaccharide structure in a preferred conformation) is quite crucial to understand various molecular recognition processes such as glycan-toxin interaction and glycan-virus interaction. The gycoconformatics models obtained for various glycan through Molecular Dynamics Simulation stored in our 3DSDSCAR (3DSDSCAR.ORG) a public domain database and its utility value in understanding the molecular recognition processes and in drug design venture will be discussed.

Keywords: glycan, glycoconformatics, molecular dynamics simulation, oligosaccharide

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6590 The Impact of Malicious Attacks on the Performance of Routing Protocols in Mobile Ad-Hoc Networks

Authors: Habib Gorine, Rabia Saleh

Abstract:

Mobile Ad-Hoc Networks are the special type of wireless networks which share common security requirements with other networks such as confidentiality, integrity, authentication, and availability, which need to be addressed in order to secure data transfer through the network. Their routing protocols are vulnerable to various malicious attacks which could have a devastating consequence on data security. In this paper, three types of attacks such as selfish, gray hole, and black hole attacks have been applied to the two most important routing protocols in MANET named dynamic source routing and ad-hoc on demand distance vector in order to analyse and compare the impact of these attacks on the Network performance in terms of throughput, average delay, packet loss, and consumption of energy using NS2 simulator.

Keywords: MANET, wireless networks, routing protocols, malicious attacks, wireless networks simulation

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6589 Construction of the Large Scale Biological Networks from Microarrays

Authors: Fadhl Alakwaa

Abstract:

One of the sustainable goals of the system biology is understanding gene-gene interactions. Hence, gene regulatory networks (GRN) need to be constructed for understanding the disease ontology and to reduce the cost of drug development. To construct gene regulatory from gene expression we need to overcome many challenges such as data denoising and dimensionality. In this paper, we develop an integrated system to reduce data dimension and remove the noise. The generated network from our system was validated via available interaction databases and was compared to previous methods. The result revealed the performance of our proposed method.

Keywords: gene regulatory network, biclustering, denoising, system biology

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6588 An Approach for Multilayered Ecological Networks

Authors: N. F. F. Ebecken, G. C. Pereira

Abstract:

Although networks provide a powerful approach to the study of a wide variety of ecological systems, their formulation usually does not include various types of interactions, interactions that vary in space and time, and interconnected systems such as networks. The emerging field of 'multilayer networks' provides a natural framework for extending ecological systems analysis to include these multiple layers of complexity as it specifically allows for differentiation and modeling of intralayer and interlayer connectivity. The structure provides a set of concepts and tools that can be adapted and applied to the ecology, facilitating research in high dimensionality, heterogeneous systems in nature. Here, ecological multilayer networks are formally defined based on a review of prior and related approaches, illustrates their application and potential with existing data analyzes, and discusses limitations, challenges, and future applications. The integration of multilayer network theory into ecology offers a largely untapped potential to further address ecological complexity, to finally provide new theoretical and empirical insights into the architecture and dynamics of ecological systems.

Keywords: ecological networks, multilayered networks, sea ecology, Brazilian Coastal Area

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6587 Artificial Neural Networks in Environmental Psychology: Application in Architectural Projects

Authors: Diego De Almeida Pereira, Diana Borchenko

Abstract:

Artificial neural networks are used for many applications as they are able to learn complex nonlinear relationships between input and output data. As the number of neurons and layers in a neural network increases, it is possible to represent more complex behaviors. The present study proposes that artificial neural networks are a valuable tool for architecture and engineering professionals concerned with understanding how buildings influence human and social well-being based on theories of environmental psychology.

Keywords: environmental psychology, architecture, neural networks, human and social well-being

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6586 A Lifetime-Enhancing Monitoring Node Distribution Using Minimum Spanning Tree in Mobile Ad Hoc Networks

Authors: Sungchul Ha, Hyunwoo Kim

Abstract:

In mobile ad hoc networks, all nodes in a network only have limited resources and calculation ability. Therefore communication topology which have long lifetime is good for all nodes in mobile ad hoc networks. There are a variety of researches on security problems in wireless ad hoc networks. The existing many researches try to make efficient security schemes to reduce network power consumption and enhance network lifetime. Because a new node can join the network at any time, the wireless ad hoc networks are exposed to various threats and can be destroyed by attacks. Resource consumption is absolutely necessary to secure networks, but more resource consumption can be a critical problem to network lifetime. This paper focuses on efficient monitoring node distribution to enhance network lifetime in wireless ad hoc networks. Since the wireless ad hoc networks cannot use centralized infrastructure and security systems of wired networks, a new special IDS scheme is necessary. The scheme should not only cover all nodes in a network but also enhance the network lifetime. In this paper, we propose an efficient IDS node distribution scheme using minimum spanning tree (MST) method. The simulation results show that the proposed algorithm has superior performance in comparison with existing algorithms.

Keywords: MANETs, IDS, power control, minimum spanning tree

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6585 Enzyme Inhibition Activity of Schiff Bases Against Mycobacterium Tuberculosis Using Molecular Docking

Authors: Imran Muhammad

Abstract:

The main cause of infectious disease in the modern world is Mycobacterium Tuberculosis (MT). To combat tuberculosis, new and efficient drugs are an urgent need in the modern world. Schif bases are potent for their biological pharmacophore activity. Thus we selected different Vanillin-based Schiff bases for their binding activity against target enzymes of Mycobacterium tuberculosis that is (DprE1 (decaprenyl phosphoryl-β-D-ribose 2′-epimerase), and DNA gyrase subunit-A), using molecular docking. We evaluate the inhibition potential, interaction, and binding mode of these compounds with the target enzymes.

Keywords: schiff bases, tuberculosis, DNA gyrase, DprE1, docking

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6584 Non-Linear Assessment of Chromatographic Lipophilicity and Model Ranking of Newly Synthesized Steroid Derivatives

Authors: Milica Karadzic, Lidija Jevric, Sanja Podunavac-Kuzmanovic, Strahinja Kovacevic, Anamarija Mandic, Katarina Penov Gasi, Marija Sakac, Aleksandar Okljesa, Andrea Nikolic

Abstract:

The present paper deals with chromatographic lipophilicity prediction of newly synthesized steroid derivatives. The prediction was achieved using in silico generated molecular descriptors and quantitative structure-retention relationship (QSRR) methodology with the artificial neural networks (ANN) approach. Chromatographic lipophilicity of the investigated compounds was expressed as retention factor value logk. For QSRR modeling, a feedforward back-propagation ANN with gradient descent learning algorithm was applied. Using the novel sum of ranking differences (SRD) method generated ANN models were ranked. The aim was to distinguish the most consistent QSRR model that can be found, and similarity or dissimilarity between the models that could be noticed. In this study, SRD was performed with average values of retention factor value logk as reference values. An excellent correlation between experimentally observed retention factor value logk and values predicted by the ANN was obtained with a correlation coefficient higher than 0.9890. Statistical results show that the established ANN models can be applied for required purpose. This article is based upon work from COST Action (TD1305), supported by COST (European Cooperation in Science and Technology).

Keywords: artificial neural networks, liquid chromatography, molecular descriptors, steroids, sum of ranking differences

Procedia PDF Downloads 293
6583 Synchronization of Semiconductor Laser Networks

Authors: R. M. López-Gutiérrez, L. Cardoza-Avendaño, H. Cervantes-de Ávila, J. A. Michel-Macarty, C. Cruz-Hernández, A. Arellano-Delgado, R. Carmona-Rodríguez

Abstract:

In this paper, synchronization of multiple chaotic semiconductor lasers is achieved by appealing to complex system theory. In particular, we consider dynamical networks composed by semiconductor laser, as interconnected nodes, where the interaction in the networks are defined by coupling the first state of each node. An interesting case is synchronized with master-slave configuration in star topology. Nodes of these networks are modeled for the laser and simulated by Matlab. These results are applicable to private communication.

Keywords: chaotic laser, network, star topology, synchronization

Procedia PDF Downloads 539
6582 Microarray Data Visualization and Preprocessing Using R and Bioconductor

Authors: Ruchi Yadav, Shivani Pandey, Prachi Srivastava

Abstract:

Microarrays provide a rich source of data on the molecular working of cells. Each microarray reports on the abundance of tens of thousands of mRNAs. Virtually every human disease is being studied using microarrays with the hope of finding the molecular mechanisms of disease. Bioinformatics analysis plays an important part of processing the information embedded in large-scale expression profiling studies and for laying the foundation for biological interpretation. A basic, yet challenging task in the analysis of microarray gene expression data is the identification of changes in gene expression that are associated with particular biological conditions. Careful statistical design and analysis are essential to improve the efficiency and reliability of microarray experiments throughout the data acquisition and analysis process. One of the most popular platforms for microarray analysis is Bioconductor, an open source and open development software project based on the R programming language. This paper describes specific procedures for conducting quality assessment, visualization and preprocessing of Affymetrix Gene Chip and also details the different bioconductor packages used to analyze affymetrix microarray data and describe the analysis and outcome of each plots.

Keywords: microarray analysis, R language, affymetrix visualization, bioconductor

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6581 Synthesis, Molecular-Docking, and Biological Evaluation of Thiazolopyrimidine Carboxylates as Potential Antidiabetic and Antibacterial Agents

Authors: Iram Batool, Aamer Saeed, Irfan Zia Qureshi, Ayesha Razzaq, Saima Kalsoom

Abstract:

Heterocyclic compounds analogues and their derivatives have attracted strong interest in medicinal chemistry due to their biological and pharmacological properties. A series of new thiazolopyrimidine carboxylates were conveniently synthesized by one-pot three-component reaction of ethyl acetoacetate, 2-aminothiazole and benzaldehyde substituted with electron-donating and electron-withdrawing groups in order to find some more potent antidiabetic and antibacterial drugs. The structures of synthesized compounds were characterized by elemental analysis, IR, 1H NMR, 13C NMR spectroscopy. An in vitro antidiabetic effect was evaluated in adult male BALB/c mice and antibacterial activities were tested against Micrococcus luteus, Salmonella typhimurium, Bacillus subtilis, Bordetella bronchiseptica and Escherichia coli. Some of the tested compounds proved to possess good to excellent activities more than the reference drugs. An in silico molecular docking was also performed on synthesized compounds. The current study is expected to provide useful insights into the design of antidiabetic and antibacterial drugs and understanding the mechanism by which such drugs interact with RNA and diabetes target and exert their biochemical action.

Keywords: antidiabetic, antibacterial, MOE docking, thiazolopyrimidine

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6580 Chemometric Estimation of Inhibitory Activity of Benzimidazole Derivatives by Linear Least Squares and Artificial Neural Networks Modelling

Authors: Sanja O. Podunavac-Kuzmanović, Strahinja Z. Kovačević, Lidija R. Jevrić, Stela Jokić

Abstract:

The subject of this paper is to correlate antibacterial behavior of benzimidazole derivatives with their molecular characteristics using chemometric QSAR (Quantitative Structure–Activity Relationships) approach. QSAR analysis has been carried out on the inhibitory activity of benzimidazole derivatives against Staphylococcus aureus. The data were processed by linear least squares (LLS) and artificial neural network (ANN) procedures. The LLS mathematical models have been developed as a calibration models for prediction of the inhibitory activity. The quality of the models was validated by leave one out (LOO) technique and by using external data set. High agreement between experimental and predicted inhibitory acivities indicated the good quality of the derived models. These results are part of the CMST COST Action No. CM1306 "Understanding Movement and Mechanism in Molecular Machines".

Keywords: Antibacterial, benzimidazoles, chemometric, QSAR.

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6579 Proposing a Boundary Coverage Algorithm ‎for Underwater Sensor Network

Authors: Seyed Mohsen Jameii

Abstract:

Wireless underwater sensor networks are a type of sensor networks that are located in underwater environments and linked together by acoustic waves. The application of these kinds of network includes monitoring of pollutants (chemical, biological, and nuclear), oil fields detection, prediction of the likelihood of a tsunami in coastal areas, the use of wireless sensor nodes to monitor the passing submarines, and determination of appropriate locations for anchoring ships. This paper proposes a boundary coverage algorithm for intrusion detection in underwater sensor networks. In the first phase of the proposed algorithm, optimal deployment of nodes is done in the water. In the second phase, after the employment of nodes at the proper depth, clustering is executed to reduce the exchanges of messages between the sensors. In the third phase, the algorithm of "divide and conquer" is used to save energy and increase network efficiency. The simulation results demonstrate the efficiency of the proposed algorithm.

Keywords: boundary coverage, clustering, divide and ‎conquer, underwater sensor nodes

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6578 A Secure Routing Algorithm for ‎Underwater Wireless Sensor Networks

Authors: Seyed Mahdi Jameii

Abstract:

Underwater wireless sensor networks have been attracting the interest of many ‎researchers lately, and the past three decades have beheld the rapid progress of ‎underwater acoustic communication. One of the major problems in underwater wireless ‎sensor networks is how to transfer data from the moving node to the base stations and ‎choose the optimized route for data transmission. Secure routing in underwater ‎wireless sensor network (UWCNs) is necessary for packet delivery. Some routing ‎protocols are proposed for underwater wireless sensor networks. However, a few ‎researches have been done on secure routing in underwater sensor networks. In this ‎article, a secure routing protocol is provided to resist against wormhole and sybil ‎attacks. The results indicated acceptable performance in terms of increasing the packet ‎delivery ratio with regards to the attacks, increasing network lifetime by creating ‎balance in the network energy consumption, high detection rates against the attacks, ‎and low-end to end delay.‎

Keywords: attacks, routing, security, underwater wireless sensor networks

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6577 Effect of Different Parameters on the Swelling Behaviour of Thermo-Responsive Elastomers in a Nematogenic Solvent

Authors: Nouria Bouchikhi, Soufiane Bedjaoui, C. Tewfik Bouchaour, Lamia Alachaher Bedjaoui, Ulrich Maschke

Abstract:

Swelling properties and phase diagrams of binary systems composed of liquid crystalline networks and a low molecular mass liquid crystal (LMWLC) have been investigated. The networks were prepared by ultraviolet (UV) irradiation of reactive mixtures including a monomer, a cross-linking agent and a photo-initiator. These networks were prepared using two cross-linking agents: 1,6 hexanedioldiacrylate (HDDA) and a mesogenic acrylic acid 6-(4’-(6-acryloyloxy-hexyloxy) biphenyl-4-yl oxy) hexyl ester (AHBH). The obtained dry networks were characterized by differential scanning calorimetry, and immersed in an excess of a LMWLC solvent 4-cyano-4’-pentylbiphenyl (5CB), forming polymer gels. A detailed study by polarized optical microscopy allowed to determine the swelling degree of the gels and to follow the phase behavior of the solvent inside the polymer matrix in a wide range of temperature. It has been found that the gels undergo a sharp decrease of their swelling degree in response to an infinitesimal change of temperature. This finding adds new and interesting aspects on the actuators applications. We have subsequently explored the effect of different parameters on volume phase transition of these liquid crystalline materials. Such as the cross-linking density (CD), a nature of cross-linking agent and the photo initiator concentration.

Keywords: cross-linking density, liquid crystalline elastomers, phase diagrams, swelling

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6576 Ontology-Based Approach for Temporal Semantic Modeling of Social Networks

Authors: Souâad Boudebza, Omar Nouali, Faiçal Azouaou

Abstract:

Social networks have recently gained a growing interest on the web. Traditional formalisms for representing social networks are static and suffer from the lack of semantics. In this paper, we will show how semantic web technologies can be used to model social data. The SemTemp ontology aligns and extends existing ontologies such as FOAF, SIOC, SKOS and OWL-Time to provide a temporal and semantically rich description of social data. We also present a modeling scenario to illustrate how our ontology can be used to model social networks.

Keywords: ontology, semantic web, social network, temporal modeling

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6575 Routing Metrics and Protocols for Wireless Mesh Networks

Authors: Samira Kalantary, Zohre Saatzade

Abstract:

Wireless Mesh Networks (WMNs) are low-cost access networks built on cooperative routing over a backbone composed of stationary wireless routers. WMNs must deal with the highly unstable wireless medium. Thus, routing metrics and protocols are evolving by designing algorithms that consider link quality to choose the best routes. In this work, we analyse the state of the art in WMN metrics and propose taxonomy for WMN routing protocols. Performance measurements of a wireless mesh network deployed using various routing metrics are presented and corroborate our analysis.

Keywords: wireless mesh networks, routing protocols, routing metrics, bioinformatics

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