Search results for: Protein-protein interactions
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 408

Search results for: Protein-protein interactions

378 TheAnalyzer: Clustering-Based System for Improving Business Productivity by Analyzing User Profiles to Enhance Human-Computer Interaction

Authors: D. S. A. Nanayakkara, K. J. P. G. Perera

Abstract:

E-commerce platforms have revolutionized the shopping experience, offering convenient ways for consumers to make purchases. To improve interactions with customers and optimize marketing strategies, it is essential for businesses to understand user behavior, preferences, and needs on these platforms. This paper focuses on recommending businesses to customize interactions with users based on their behavioral patterns, leveraging data-driven analysis and machine learning techniques. Businesses can improve engagement and boost the adoption of e-commerce platforms by aligning behavioral patterns with user goals of usability and satisfaction. We propose TheAnalyzer, a clustering-based system designed to enhance business productivity by analyzing user-profiles and improving human-computer interaction. TheAnalyzer seamlessly integrates with business applications, collecting relevant data points based on users' natural interactions without additional burdens such as questionnaires or surveys. It defines five key user analytics as features for its dataset, which are easily captured through users' interactions with e-commerce platforms. This research presents a study demonstrating the successful distinction of users into specific groups based on the five key analytics considered by TheAnalyzer. With the assistance of domain experts, customized business rules can be attached to each group, enabling TheAnalyzer to influence business applications and provide an enhanced personalized user experience. The outcomes are evaluated quantitatively and qualitatively, demonstrating that utilizing TheAnalyzer’s capabilities can optimize business outcomes, enhance customer satisfaction, and drive sustainable growth. The findings of this research contribute to the advancement of personalized interactions in e-commerce platforms. By leveraging user behavioral patterns and analyzing both new and existing users, businesses can effectively tailor their interactions to improve customer satisfaction, loyalty and ultimately drive sales.

Keywords: Data clustering, data standardization, dimensionality reduction, human-computer interaction, user profiling.

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377 Symmetry Breaking and the Emergence of Branching Structures in Morphogenesis: Minimal Conditions and Mechanical Interactions between Cells

Authors: M. Margarida Costa, Jorge Simão

Abstract:

The minimal condition for symmetry breaking in morphogenesis of cellular population was investigated using cellular automata based on reaction-diffusion dynamics. In particular, the study looked for the possibility of the emergence of branching structures due to mechanical interactions. The model used two types of cells an external gradient. The results showed that the external gradient influenced movement of cell type-I, also revealed that clusters formed by cells type-II worked as barrier to movement of cells type-I.

Keywords: Morphogenesis, branching structures, symmetrybreaking.

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376 The Investigations of Water-ethanol Mixture by Monte Carlo Method

Authors: Atamas N. A., Atamas A. A.

Abstract:

Energetic and structural results for ethanol-water mixtures as a function of the mole fraction were calculated using Monte Carlo methodology. Energy partitioning results obtained for equimolar water-ethanol mixture and ether organic liquids are compared. It has been shown that at xet=0.22 the RDFs for waterethanol and ethanol-ethanol interactions indicated strong hydrophobic interactions between ethanol molecules and the local structure of solution is less structured at this concentration as at ether ones. Results obtained for ethanol-water mixture as a function of concentration are in good agreement with the experimental data.

Keywords: Ethanol, molecular liquids, Monte Carlo, water, thermodynamics.

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375 A Safety Analysis Method for Multi-Agent Systems

Authors: Ching Louis Liu, Edmund Kazmierczak, Tim Miller

Abstract:

Safety analysis for multi-agent systems is complicated by the, potentially nonlinear, interactions between agents. This paper proposes a method for analyzing the safety of multi-agent systems by explicitly focusing on interactions and the accident data of systems that are similar in structure and function to the system being analyzed. The method creates a Bayesian network using the accident data from similar systems. A feature of our method is that the events in accident data are labeled with HAZOP guide words. Our method uses an Ontology to abstract away from the details of a multi-agent implementation. Using the ontology, our methods then constructs an “Interaction Map,” a graphical representation of the patterns of interactions between agents and other artifacts. Interaction maps combined with statistical data from accidents and the HAZOP classifications of events can be converted into a Bayesian Network. Bayesian networks allow designers to explore “what it” scenarios and make design trade-offs that maintain safety. We show how to use the Bayesian networks, and the interaction maps to improve multi-agent system designs.

Keywords: Multi-agent system, safety analysis, safety model.

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374 Detecting Interactions between Behavioral Requirements with OWL and SWRL

Authors: Haibo Hu, Dan Yang, Chunxiao Ye, Chunlei Fu, Ren Li

Abstract:

High quality requirements analysis is one of the most crucial activities to ensure the success of a software project, so that requirements verification for software system becomes more and more important in Requirements Engineering (RE) and it is one of the most helpful strategies for improving the quality of software system. Related works show that requirement elicitation and analysis can be facilitated by ontological approaches and semantic web technologies. In this paper, we proposed a hybrid method which aims to verify requirements with structural and formal semantics to detect interactions. The proposed method is twofold: one is for modeling requirements with the semantic web language OWL, to construct a semantic context; the other is a set of interaction detection rules which are derived from scenario-based analysis and represented with semantic web rule language (SWRL). SWRL based rules are working with rule engines like Jess to reason in semantic context for requirements thus to detect interactions. The benefits of the proposed method lie in three aspects: the method (i) provides systematic steps for modeling requirements with an ontological approach, (ii) offers synergy of requirements elicitation and domain engineering for knowledge sharing, and (3)the proposed rules can systematically assist in requirements interaction detection.

Keywords: Requirements Engineering, Semantic Web, OWL, Requirements Interaction Detection, SWRL.

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373 Connectivity Characteristic of Transcription Factor

Authors: T. Mahalakshmi, Aswathi B. L., Achuthsankar S. Nair

Abstract:

Transcription factors are a group of proteins that helps for interpreting the genetic information in DNA. Protein-protein interactions play a major role in the execution of key biological functions of a cell. These interactions are represented in the form of a graph with nodes and edges. Studies have showed that some nodes have high degree of connectivity and such nodes, known as hub nodes, are the inevitable parts of the network. In the present paper a method is proposed to identify hub transcription factor proteins using sequence information. On a complete data set of transcription factor proteins available from the APID database, the proposed method showed an accuracy of 77%, sensitivity of 79% and specificity of 76%.

Keywords: Transcription Factor Proteins, Hub Proteins, Shannon Index, Transfer Free Energy to Surface (TFES).

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372 The Effect of the Crystal Field Interaction on the Critical Temperatures and the Sublattice Magnetizations of a Mixed Spin-3/2 and Spin-5/2 Ferrimagnetic System

Authors: Fathi Abubrig, Mohamed Delfag, Suad M. Abuzariba

Abstract:

The influence of the crystal field interactions on the mixed spin-3/2 and spin-5/2 ferrimagnetic Ising system is considered by using the mean field theory based on Bogoliubov inequality for the Gibbs free energy. The ground-state phase diagram is constructed, the phase diagrams of the second-order critical temperatures are obtained, and the thermal variation of the sublattice magnetizations is investigated in detail. We find some interesting phenomena for the sublattice magnetizations at particular values of the crystal field interactions.

Keywords: Crystal field, Ising system, Ferrimagnetic, magnetization, phase diagrams.

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371 An Edit-Distance Algorithm to Detect Correlated Attacks in Distributed Systems

Authors: Sule Simsek

Abstract:

Intrusion detection systems (IDS)are crucial components of the security mechanisms of today-s computer systems. Existing research on intrusion detection has focused on sequential intrusions. However, intrusions can also be formed by concurrent interactions of multiple processes. Some of the intrusions caused by these interactions cannot be detected using sequential intrusion detection methods. Therefore, there is a need for a mechanism that views the distributed system as a whole. L-BIDS (Lattice-Based Intrusion Detection System) is proposed to address this problem. In the L-BIDS framework, a library of intrusions and distributed traces are represented as lattices. Then these lattices are compared in order to detect intrusions in the distributed traces.

Keywords: Attack graph, distributed, edit-distance, misuse detection.

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370 Network Analysis in a Natural Perturbed Ecosystem

Authors: Nelson F.F. Ebecken, Gilberto C. Pereira

Abstract:

The objective of this work is to explicit knowledge on the interactions between the chlorophyll-a and nine meroplankton larvae of epibenthonic fauna. The studied case is the Arraial do Cabo upwelling system, Southeastern of Brazil, which provides different environmental conditions. To assess this information a network approach based in probability estimative was used. Comparisons among the generated graphs are made in the light of different water masses, application of Shannon biodiversity index, and the closeness and betweenness centralities measurements. Our results show the main pattern among different water masses and how the core organisms belonging to the network skeleton are correlated to the main environmental variable. We conclude that the approach of complex networks is a promising tool for environmental diagnostic.

Keywords: Coastal upwelling, Ecological networks, Plankton - interactions, Environmental analysis.

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369 Full-genomic Network Inference for Non-model organisms: A Case Study for the Fungal Pathogen Candida albicans

Authors: Jörg Linde, Ekaterina Buyko, Robert Altwasser, Udo Hahn, Reinhard Guthke

Abstract:

Reverse engineering of full-genomic interaction networks based on compendia of expression data has been successfully applied for a number of model organisms. This study adapts these approaches for an important non-model organism: The major human fungal pathogen Candida albicans. During the infection process, the pathogen can adapt to a wide range of environmental niches and reversibly changes its growth form. Given the importance of these processes, it is important to know how they are regulated. This study presents a reverse engineering strategy able to infer fullgenomic interaction networks for C. albicans based on a linear regression, utilizing the sparseness criterion (LASSO). To overcome the limited amount of expression data and small number of known interactions, we utilize different prior-knowledge sources guiding the network inference to a knowledge driven solution. Since, no database of known interactions for C. albicans exists, we use a textmining system which utilizes full-text research papers to identify known regulatory interactions. By comparing with these known regulatory interactions, we find an optimal value for global modelling parameters weighting the influence of the sparseness criterion and the prior-knowledge. Furthermore, we show that soft integration of prior-knowledge additionally improves the performance. Finally, we compare the performance of our approach to state of the art network inference approaches.

Keywords: Pathogen, network inference, text-mining, Candida albicans, LASSO, mutual information, reverse engineering, linear regression, modelling.

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368 Study of Unsteady Behaviour of Dynamic Shock Systems in Supersonic Engine Intakes

Authors: Siddharth Ahuja, T. M. Muruganandam

Abstract:

An analytical investigation is performed to study the unsteady response of a one-dimensional, non-linear dynamic shock system to external downstream pressure perturbations in a supersonic flow in a varying area duct. For a given pressure ratio across a wind tunnel, the normal shock's location can be computed as per one-dimensional steady gas dynamics. Similarly, for some other pressure ratio, the location of the normal shock will change accordingly, again computed using one-dimensional gas dynamics. This investigation focuses on the small-time interval between the first steady shock location and the new steady shock location (corresponding to different pressure ratios). In essence, this study aims to shed light on the motion of the shock from one steady location to another steady location. Further, this study aims to create the foundation of the Unsteady Gas Dynamics field enabling further insight in future research work. According to the new pressure ratio, a pressure pulse, generated at the exit of the tunnel which travels and perturbs the shock from its original position, setting it into motion. During such activity, other numerous physical phenomena also happen at the same time. However, three broad phenomena have been focused on, in this study - Traversal of a Wave, Fluid Element Interactions and Wave Interactions. The above mentioned three phenomena create, alter and kill numerous waves for different conditions. The waves which are created by the above-mentioned phenomena eventually interact with the shock and set it into motion. Numerous such interactions with the shock will slowly make it settle into its final position owing to the new pressure ratio across the duct, as estimated by one-dimensional gas dynamics. This analysis will be extremely helpful in the prediction of inlet 'unstart' of the flow in a supersonic engine intake and its prominence with the incoming flow Mach number, incoming flow pressure and the external perturbation pressure is also studied to help design more efficient supersonic intakes for engines like ramjets and scramjets.

Keywords: Analytical investigation, compression and expansion waves, fluid element interactions, shock trajectory, supersonic flow, unsteady gas dynamics, varying area duct, wave interactions.

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367 Application of Motivational Factors for Uploading Films to Websites Ulozto.net and Piratebay.org

Authors: Pavel Janak

Abstract:

This paper studies, maps and explains the interactions between downloaders and uploaders pertaining to the Internet film piracy. This study also covers several motivational factors that influence users to upload or download movies, and thus to engage in film piracy over the Internet. The essay also proposes a model that describes user behavior including their relationships and influences. Moreover, proposed theoretical interactions and motivational factors are applied to the real world scenario, using examples of a data storage webpage server Ulozto.net and webpage Piratebay.org gathering information about downloadable BitTorrents. Moreover, the theory is further supported by description of behavior of real Internet uploaders.

Keywords: Download, film piracy, internet, motivational factors for uploading.

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366 European and International Bond Markets Integration

Authors: Dimitris Georgoutsos, Petros M. Migiakis

Abstract:

The concurrent era is characterised by strengthened interactions among financial markets and increased capital mobility globally. In this frames we examine the effects the international financial integration process has on the European bond markets. We perform a comparative study of the interactions of the European and international bond markets and exploit Cointegration analysis results on the elimination of stochastic trends and the decomposition of the underlying long run equilibria and short run causal relations. Our investigation provides evidence on the relation between the European integration process and that of globalisation, viewed through the bond markets- sector. Additionally the structural formulation applied, offers significant implications of the findings. All in all our analysis offers a number of answers on crucial queries towards the European bond markets integration process.

Keywords: financial integration, bond markets, cointegration

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365 Integrating Computer Games with Mathematics Instruction in Elementary School- An Analysis of Motivation, Achievement, and Pupil-Teacher Interactions

Authors: Kuo Hung Huang, Chong-Ji Ke

Abstract:

The purpose of this study is to explore the impacts of computer games on the mathematics instruction. First, the research designed and implemented the web-based games according to the content of existing textbook. And the researcher collected and analyzed the information related to the mathematics instruction integrating the computer games. In this study, the researcher focused on the learning motivation of mathematics, mathematics achievement, and pupil-teacher interactions in classroom. The results showed that students under instruction integrating computer games significantly improved in motivation and achievement. The teacher tended to use less direct teaching and provide more time for student-s active learning.

Keywords: computer games, mathematics instruction, pupil-teacher interaction, technology-enhanced learning

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364 A Laser Point Interaction System Integrating Mouse Functions

Authors: Ching-Sheng Wang, Lun-Ping Hung, Sheng-Yu Peng, Li-Chieh Cheng

Abstract:

The computer has become an essential tool in modern life, and the combined use of a computer with a projector is very common in teaching and presentations. However, as typical computer operating devices involve a mouse or keyboard, when making presentations, users often need to stay near the computer to execute functions such as changing pages, writing, and drawing, thus, making the operation time-consuming, and reducing interactions with the audience. This paper proposes a laser pointer interaction system able to simulate mouse functions in order that users need not remain near the computer, but can directly use laser pointer operations from at a distance. It can effectively reduce the users- time spent by the computer, allowing for greater interactions with the audience.

Keywords: laser pointer, presentation, interaction, mousefunction

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363 Convective Interactions and Heat Transfer in a Czochralski Melt with a Model Phase Boundary of Two Different Shapes

Authors: R. Faiez, M. Mashhoudi, F. Najafi

Abstract:

Implicit in most large-scale numerical analyses of the crystal growth from the melt is the assumption that the shape and position of the phase boundary are determined by the transport phenomena coupled strongly to the melt hydrodynamics. In the present numerical study, the interface shape-effect on the convective interactions in a Czochralski oxide melt is described. It was demonstrated that thermocapillary flow affects inversely the phase boundaries of distinct shapes. The inhomogenity of heat flux and the location of the stagnation point at the crystallization front were investigated. The forced convection effect on the point displacement at the boundary found to be much stronger for the flat plate interface compared to the cone-shaped one with and without the Marangoni flow.

Keywords: Computer simulation, fluid flow, interface shape, thermocapillary effect.

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362 Exploring Inter-Relationships between Events to Identify Strategic Technological Competencies: A Combined Approach

Authors: Cláudio Santos, Madalena Araújo, Nuno Correia

Abstract:

The inherent complexity in nowadays- business environments is forcing organizations to be attentive to the dynamics in several fronts. Therefore, the management of technological innovation is continually faced with uncertainty about the future. These issues lead to a need for a systemic perspective, able to analyze the consequences of interactions between different factors. The field of technology foresight has proposed methods and tools to deal with this broader perspective. In an attempt to provide a method to analyze the complex interactions between events in several areas, departing from the identification of the most strategic competencies, this paper presents a methodology based on the Delphi method and Quality Function Deployment. This methodology is applied in a sheet metal processing equipment manufacturer, as a case study.

Keywords: Competencies, Delphi Method, Quality Function Deployment, Technology Foresight.

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361 Improving Protein-Protein Interaction Prediction by Using Encoding Strategies and Random Indices

Authors: Essam Al-Daoud

Abstract:

A New features are extracted and compared to improve the prediction of protein-protein interactions. The basic idea is to select and use the best set of features from the Tensor matrices that are produced by the frequency vectors of the protein sequences. Three set of features are compared, the first set is based on the indices that are the most common in the interacting proteins, the second set is based on the indices that tend to be common in the interacting and non-interacting proteins, and the third set is constructed by using random indices. Moreover, three encoding strategies are compared; that are based on the amino asides polarity, structure, and chemical properties. The experimental results indicate that the highest accuracy can be obtained by using random indices with chemical properties encoding strategy and support vector machine.

Keywords: protein-protein interactions, random indices, encoding strategies, support vector machine.

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360 Fuel Reserve Tanks Dynamic Analysis Due to Earthquake Loading

Authors: F.Saadi, A.Aboudi Asl

Abstract:

In this paper, the dynamic analysis of fuel storage tanks has been studied and some equations are presented for the created fluid waves due to storage tank motions. Also, the equations for finite elements of fluid and structure interactions, and boundary conditions dominant on structure and fluid, were researched. In this paper, a numerical simulation is performed for the dynamic analysis of a storage tank contained a fluid. This simulation has carried out by ANSYS software, using FSI solver (Fluid and Structure Interaction solver), and by considering the simulated fluid dynamic motions due to earthquake loading, based on velocities and movements of structure and fluid according to all boundary conditions dominant on structure and fluid.

Keywords: fluid and structure interactions, finite elementmethod, ANSYS – FSI

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359 Presidential Interactions with Faculty Senates: Expectations and Practices

Authors: Michael T. Miller, G. David Gearhart

Abstract:

Shared governance is an important element in higher education decision making. Through the joint decision making process, faculty members are provided an opportunity to help shape the future of an institution while increasing support for decisions that are made. Presidents, those leaders who are legally bound to guide their institutions, must find ways to collaborate effectively with faculty members in making decisions, and the first step in this process is understanding when and how presidents and faculty leaders interact. In the current study, a national sample of college presidents reported their preparation for the presidency, their perceptions of the functions of a faculty senate, and ultimately, the locations for important interactions between presidents and faculty senates. Results indicated that presidents, regardless of their preparation, found official functions to be the most important for communicating, although, those presidents with academic backgrounds were more likely to perceive faculty senates as having a role in all aspects of an institutions management.

Keywords: College faculty, college president, faculty senate, leadership.

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358 Effect of Calcium Chloride on Rheological Properties and Structure of Inulin - Whey Protein Gels

Authors: Pawel Glibowski, Agnieszka Glibowska

Abstract:

The rheological properties, structure and potential synergistic interactions of whey proteins (1-6%) and inulin (20%) in mixed gels in the presence of CaCl2 was the aim of this study. Whey proteins have a strong influence on inulin gel formation. At low concentrations (2%) whey proteins did not impair in inulin gel formation. At higher concentration (4%) whey proteins impaired inulin gelation and inulin impaired the formation of a Ca2+-induced whey protein network. The presence of whey proteins at a level allowing for protein gel network formation (6%) significantly increased the rheological parameters values of the gels. SEM micrographs showed that whey protein structure was coated by inulin moieties which could make the mixed gels firmer. The protein surface hydrophobicity measurements did not exclude synergistic interactions between inulin and whey proteins, however. The use of an electrophoretic technique did not show any stable inulin-whey protein complexes.

Keywords: gels, hydrophobicity, inulin, SEM, whey proteins.

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357 Computational Identification of Bacterial Communities

Authors: Eleftheria Tzamali, Panayiota Poirazi, Ioannis G. Tollis, Martin Reczko

Abstract:

Stable bacterial polymorphism on a single limiting resource may appear if between the evolved strains metabolic interactions take place that allow the exchange of essential nutrients [8]. Towards an attempt to predict the possible outcome of longrunning evolution experiments, a network based on the metabolic capabilities of homogeneous populations of every single gene knockout strain (nodes) of the bacterium E. coli is reconstructed. Potential metabolic interactions (edges) are allowed only between strains of different metabolic capabilities. Bacterial communities are determined by finding cliques in this network. Growth of the emerged hypothetical bacterial communities is simulated by extending the metabolic flux balance analysis model of Varma et al [2] to embody heterogeneous cell population growth in a mutual environment. Results from aerobic growth on 10 different carbon sources are presented. The upper bounds of the diversity that can emerge from single-cloned populations of E. coli such as the number of strains that appears to metabolically differ from most strains (highly connected nodes), the maximum clique size as well as the number of all the possible communities are determined. Certain single gene deletions are identified to consistently participate in our hypothetical bacterial communities under most environmental conditions implying a pattern of growth-condition- invariant strains with similar metabolic effects. Moreover, evaluation of all the hypothetical bacterial communities under growth on pyruvate reveals heterogeneous populations that can exhibit superior growth performance when compared to the performance of the homogeneous wild-type population.

Keywords: Bacterial polymorphism, clique identification, dynamic FBA, evolution, metabolic interactions.

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356 Modeling Influence on Petty Corruption Attitudes

Authors: Nina Bijedic, Drazena Gaspar, Mirsad Hadzikadic

Abstract:

Corruption is an influential and widespread problem. One part of it is so-called petty corruption, related to large-scale bribe giving by ordinary citizens trying to influence the works of public administration or public services. As it is with all means of corruption, petty corruption is related to the level of democracy (or administration efficiency) in a society. The developed model captures some of the factors related to corruptive behavior, as well as people’s attitude towards petty corruption. It has four basic elements: user’s perception of corruption in the society of interest, the influence of social interactions, the influence of penalizing mechanism, and influence of campaigns against petty corruption. The model is agent-based, developed in NetLogo, with a lot of random settings that provide a wider scope of responses. Interactions of different settings for variables of elements provide insight into the influence of each element on attitude towards petty corruption, as well as petty corruptive behavior.

Keywords: Agent based model, attitude, influence, petty corruption, society.

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355 Molecular Dynamics Simulation of Liquid-Vapor Interface on the Solid Surface Using the GEAR-S Algorithm

Authors: D. Toghraie, A. R. Azimian

Abstract:

In this paper, the Lennard -Jones potential is applied to molecules of liquid argon as well as its vapor and platinum as solid surface in order to perform a non-equilibrium molecular dynamics simulation to study the microscopic aspects of liquid-vapor-solid interactions. The channel is periodic in x and y directions and along z direction it is bounded by atomic walls. It was found that density of the liquids near the solid walls fluctuated greatly and that the structure was more like a solid than a liquid. This indicates that the interactions of solid and liquid molecules are very strong. The resultant surface tension, liquid density and vapor density are found to be well predicted when compared with the experimental data for argon. Liquid and vapor densities were found to depend on the cutoff radius which induces the use of P3M (particle-particle particle-mesh) method which was implemented for evaluation of force and surface tension.

Keywords: Lennard-Jones Potential, Molecular DynamicsSimulation, Periodic Boundary Conditions (PBC), Non-EquilibriumMolecular Dynamics (NEMD).

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354 Comparison of Numerical and Laboratory Results of Pull-out Test on Soil–Geogrid Interactions

Authors: Parisa Ahmadi Oliaei, Seyed Abolhassan Naeini

Abstract:

The knowledge of soil–reinforcement interaction parameters is particularly important in the design of reinforced soil structures. The pull-out test is one of the most widely used tests in this regard. The results of tensile tests may be very sensitive to boundary conditions, and more research is needed for a better understanding of the pull-out response of reinforcement, so numerical analysis using the finite element method can be a useful tool for the understanding of the pull-out response of soil-geogrid interaction. The main objective of the present study is to compare the numerical and experimental results of a pull-out test on geogrid-reinforced sandy soils interactions. Plaxis 2D finite element software is used for simulation. In the present study, the pull-out test modeling has been done on sandy soil. The effect of geogrid hardness was also investigated by considering two different types of geogrids. The numerical results curve had a good agreement with the pull-out laboratory results.

Keywords: Plaxis, pull-out test, sand, soil-geogrid interaction.

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353 Identification and Analysis of Binding Site Residues in Protein-Protein Complexes

Authors: M. Michael Gromiha, Kiyonobu Yokota, Kazuhiko Fukui

Abstract:

We have developed an energy based approach for identifying the binding sites and important residues for binding in protein-protein complexes. We found that the residues and residuepairs with charged and aromatic side chains are important for binding. These residues influence to form cation-¤Ç, electrostatic and aromatic interactions. Our observation has been verified with the experimental binding specificity of protein-protein complexes and found good agreement with experiments. The analysis on surrounding hydrophobicity reveals that the binding residues are less hydrophobic than non-binding sites, which suggests that the hydrophobic core are important for folding and stability whereas the surface seeking residues play a critical role in binding. Further, the propensity of residues in the binding sites of receptors and ligands, number of medium and long-range contacts, and influence of neighboring residues will be discussed.

Keywords: Protein-protein interactions, energy based approach;binding sites, propensity, long-range contacts, hydrophobicity

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352 Influence of Sire Breed, Protein Supplementation and Gender on Wool Spinning Fineness in First-Cross Merino Lambs

Authors: A. E. O. Malau-Aduli, B. W. B. Holman, P. A. Lane

Abstract:

Our objectives were to evaluate the effects of sire breed, type of protein supplement, level of supplementation and sex on wool spinning fineness (SF), its correlations with other wool characteristics and prediction accuracy in F1 Merino crossbred lambs. Texel, Coopworth, White Suffolk, East Friesian and Dorset rams were mated with 500 purebred Merino dams at a ratio of 1:100 in separate paddocks within a single management system. The F1 progeny were raised on ryegrass pasture until weaning, before forty lambs were randomly allocated to treatments in a 5 x 2 x 2 x 2 factorial experimental design representing 5 sire breeds, 2 supplementary feeds (canola or lupins), 2 levels of supplementation (1% or 2% of liveweight) and sex (wethers or ewes). Lambs were supplemented for six weeks after an initial three weeks of adjustment, wool sampled at the commencement and conclusion of the feeding trial and analyzed for SF, mean fibre diameter (FD), coefficient of variation (CV), standard deviation, comfort factor (CF), fibre curvature (CURV), and clean fleece yield. Data were analyzed using mixed linear model procedures with sire fitted as a random effect, and sire breed, sex, supplementary feed type, level of supplementation and their second-order interactions as fixed effects. Sire breed (P<0.001), sex (P<0.004), sire breed x level of supplementation (P<0.004), and sire breed x sex (P<0.019) interactions significantly influenced SF. SF ranged from 22.7 ± 0.2μm in White Suffolk-sired lambs to 25.1 ± 0.2μm in East Friesian crossbred lambs. Ewes had higher SF than wethers. There were significant (P<0.001) correlations between SF and FD (0.93), CV (0.40), CF (-0.94) and CURV (-0.12). Its strong relationship with other wool quality traits enabled accurate predictions explaining up to about 93% of the observed variation. The interactions between sire breed genetics and nutrition will have an impact on the choices that dual-purpose sheep producers make when selecting sire breeds and protein supplementary feed levels to achieve optimal wool spinning fineness at the farmgate level. This will facilitate selective breeding programs being able to better account for SF and its interactions with other wool characteristics.

Keywords: Merino crossbred sheep, protein supplementation, sire breed, wool quality, wool spinning fineness

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351 Intermolecular Dynamics between Alcohols and Fatty Acid Ester Solvents

Authors: Jacques J. Scheepers, Edison Muzenda

Abstract:

This work focused on the interactions which occur between ester solvents and alcohol solutes. The alcohols selected ranged from the simplest alcohol (methanol) to C10-alcohols, and solubility predictions in the form of infinite dilution activity coefficients were made using the Modified UNIFAC Dortmund group contribution model. The model computation was set up on a Microsoft Excel spreadsheet specifically designed for this purpose. It was found that alcohol/ ester interactions yielded an increase in activity coefficients (i.e. became less soluble) with an increase in the size of the ester solvent molecule. Furthermore, activity coefficients decreased with an increase in the size of the alcohol solute. The activity coefficients also decreased with an increase in the degree of unsaturation of the ester hydrocarbon tail. Tertiary alcohols yielded lower activity coefficients than primary alcohols. Finally, cyclic alcohols yielded higher activity coefficients than straight-chain alcohols until a point is reached where the trend is reversed, referred to as the ‘crossover’ point.

Keywords: Activity coefficients, alcohols, esters, solubility, van der Waals, UNIFAC.

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350 Gene Network Analysis of PPAR-γ: A Bioinformatics Approach Using STRING

Authors: S. Bag, S. Ramaiah, P. Anitha, K. M. Kumar, P. Lavanya, V. Sivasakhthi, A. Anbarasu

Abstract:

Gene networks present a graphical view at the level of gene activities and genetic functions and help us to understand complex interactions in a meaningful manner. In the present study, we have analyzed the gene interaction of PPAR-γ (peroxisome proliferator-activated receptor gamma) by search tool for retrieval of interacting genes. We find PPAR-γ is highly networked by genetic interactions with 10 genes: RXRA (retinoid X receptor, alpha), PPARGC1A (peroxisome proliferator-activated receptor gamma, coactivator 1 alpha), NCOA1 (nuclear receptor coactivator 1), NR0B2 (nuclear receptor subfamily 0, group B, member 2), HDAC3 (histone deacetylase 3), MED1 (mediator complex subunit 1), INS (insulin), NCOR2 (nuclear receptor co-repressor 2), PAX8 (paired box 8), ADIPOQ (adiponectin) and it augurs well for the fact that obesity and several other metabolic disorders are inter related.

Keywords: Gene networks, NCOA1, PPARγ, PPARGC1A, RXRA.

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349 On the Learning of Causal Relationships between Banks in Saudi Equities Market Using Ensemble Feature Selection Methods

Authors: Adel Aloraini

Abstract:

Financial forecasting using machine learning techniques has received great efforts in the last decide . In this ongoing work, we show how machine learning of graphical models will be able to infer a visualized causal interactions between different banks in the Saudi equities market. One important discovery from such learned causal graphs is how companies influence each other and to what extend. In this work, a set of graphical models named Gaussian graphical models with developed ensemble penalized feature selection methods that combine ; filtering method, wrapper method and a regularizer will be shown. A comparison between these different developed ensemble combinations will also be shown. The best ensemble method will be used to infer the causal relationships between banks in Saudi equities market.

Keywords: Causal interactions , banks, feature selection, regularizere,

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