Search results for: peer interactions
365 Describing the Fine Electronic Structure and Predicting Properties of Materials with ATOMIC MATTERS Computation System
Authors: Rafal Michalski, Jakub Zygadlo
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We present the concept and scientific methods and algorithms of our computation system called ATOMIC MATTERS. This is the first presentation of the new computer package, that allows its user to describe physical properties of atomic localized electron systems subject to electromagnetic interactions. Our solution applies to situations where an unclosed electron 2p/3p/3d/4d/5d/4f/5f subshell interacts with an electrostatic potential of definable symmetry and external magnetic field. Our methods are based on Crystal Electric Field (CEF) approach, which takes into consideration the electrostatic ligands field as well as the magnetic Zeeman effect. The application allowed us to predict macroscopic properties of materials such as: Magnetic, spectral and calorimetric as a result of physical properties of their fine electronic structure. We emphasize the importance of symmetry of charge surroundings of atom/ion, spin-orbit interactions (spin-orbit coupling) and the use of complex number matrices in the definition of the Hamiltonian. Calculation methods, algorithms and convention recalculation tools collected in ATOMIC MATTERS were chosen to permit the prediction of magnetic and spectral properties of materials in isostructural series.Keywords: Atomic matters, crystal electric field, spin-orbit coupling, localized states, electron subshell, fine electronic structure.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1208364 Displacement Fields in Footing-Sand Interactions under Cyclic Loading
Authors: S. Joseph Antony, Z. K. Jahanger
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Soils are subjected to cyclic loading in situ in situations such as during earthquakes and in the compaction of pavements. Investigations on the local scale measurement of the displacements of the grain and failure patterns within the soil bed under the cyclic loading conditions are rather limited. In this paper, using the digital particle image velocimetry (DPIV), local scale displacement fields of a dense sand medium interacting with a rigid footing are measured under the plane-strain condition for two commonly used types of cyclic loading, and the quasi-static loading condition for the purposes of comparison. From the displacement measurements of the grains, the failure envelopes of the sand media are also presented. The results show that, the ultimate cyclic bearing capacity (qultcyc) occurred corresponding to a relatively higher settlement value when compared with that of under the quasi-static loading. For the sand media under the cyclic loading conditions considered here, the displacement fields in the soil media occurred more widely in the horizontal direction and less deeper along the vertical direction when compared with that of under the quasi-static loading. The 'dead zone' in the sand grains beneath the footing is identified for all types of the loading conditions studied here. These grain-scale characteristics have implications on the resulting bulk bearing capacity of the sand media in footing-sand interaction problems.
Keywords: Cyclic loading, DPIV, settlement, soil-structure interactions, strip footing.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 877363 How to Modernise the European Competition Network (ECN)
Authors: Dorota Galeza
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This paper argues that networks, such as the ECN and the American network, are affected by certain small events which are inherent to path dependence and preclude the full evolution towards efficiency. It is advocated that the American network is superior to the ECN in many respects due to its greater flexibility and longer history. This stems in particular from the creation of the American network, which was based on a small number of cases. Such a structure encourages further changes and modifications which are not necessarily radical. The ECN, by contrast, was established by legislative action, which explains its rigid structure and resistance to change. This paper is an attempt to transpose the superiority of the American network on to the ECN. It looks at concepts such as judicial cooperation, harmonisation of procedure, peer review and regulatory impact assessments (RIAs), and dispute resolution procedures.
Keywords: Antitrust, Competition, Networks, Path Dependence.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1612362 Selecting Negative Examples for Protein-Protein Interaction
Authors: Mohammad Shoyaib, M. Abdullah-Al-Wadud, Oksam Chae
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Proteomics is one of the largest areas of research for bioinformatics and medical science. An ambitious goal of proteomics is to elucidate the structure, interactions and functions of all proteins within cells and organisms. Predicting Protein-Protein Interaction (PPI) is one of the crucial and decisive problems in current research. Genomic data offer a great opportunity and at the same time a lot of challenges for the identification of these interactions. Many methods have already been proposed in this regard. In case of in-silico identification, most of the methods require both positive and negative examples of protein interaction and the perfection of these examples are very much crucial for the final prediction accuracy. Positive examples are relatively easy to obtain from well known databases. But the generation of negative examples is not a trivial task. Current PPI identification methods generate negative examples based on some assumptions, which are likely to affect their prediction accuracy. Hence, if more reliable negative examples are used, the PPI prediction methods may achieve even more accuracy. Focusing on this issue, a graph based negative example generation method is proposed, which is simple and more accurate than the existing approaches. An interaction graph of the protein sequences is created. The basic assumption is that the longer the shortest path between two protein-sequences in the interaction graph, the less is the possibility of their interaction. A well established PPI detection algorithm is employed with our negative examples and in most cases it increases the accuracy more than 10% in comparison with the negative pair selection method in that paper.Keywords: Interaction graph, Negative training data, Protein-Protein interaction, Support vector machine.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1701361 AniMoveMineR: Animal Behavior Exploratory Analysis Using Association Rules Mining
Authors: Suelane Garcia Fontes, Silvio Luiz Stanzani, Pedro L. Pizzigatti Corrła Ronaldo G. Morato
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Environmental changes and major natural disasters are most prevalent in the world due to the damage that humanity has caused to nature and these damages directly affect the lives of animals. Thus, the study of animal behavior and their interactions with the environment can provide knowledge that guides researchers and public agencies in preservation and conservation actions. Exploratory analysis of animal movement can determine the patterns of animal behavior and with technological advances the ability of animals to be tracked and, consequently, behavioral studies have been expanded. There is a lot of research on animal movement and behavior, but we note that a proposal that combines resources and allows for exploratory analysis of animal movement and provide statistical measures on individual animal behavior and its interaction with the environment is missing. The contribution of this paper is to present the framework AniMoveMineR, a unified solution that aggregates trajectory analysis and data mining techniques to explore animal movement data and provide a first step in responding questions about the animal individual behavior and their interactions with other animals over time and space. We evaluated the framework through the use of monitored jaguar data in the city of Miranda Pantanal, Brazil, in order to verify if the use of AniMoveMineR allows to identify the interaction level between these jaguars. The results were positive and provided indications about the individual behavior of jaguars and about which jaguars have the highest or lowest correlation.Keywords: Data mining, data science, trajectory, animal behavior.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 917360 The Application of Action Research to Integrate the Innovation in Learning Experience in a Design Course
Authors: Walaa Mohammed Metwally
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This case study used the action research concept as a tool to integrate the innovation in a learning experience on a design course. The action research was investigated at Prince Sultan University, College of Engineering in the Interior Design and Architecture Department in January 2015, through the Higher Education Academy program. The action research was presented first with the definition of the research, leading to how it was used and how solutions were found. It concluded by showing that once the action research application in interior design and architecture were studied it was an effective tool to improve student’s learning, develop their practice in design courses, and it discussed the negative and positive issues that were encountered.Keywords: Action research, innovation, intervention, learning experience, peer review.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1580359 Efficient Power-Delay Product Modulo 2n+1 Adder Design
Authors: Yavar Safaei Mehrabani, Mehdi Hosseinzadeh
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As embedded and portable systems were emerged power consumption of circuits had been major challenge. On the other hand latency as determines frequency of circuits is also vital task. Therefore, trade off between both of them will be desirable. Modulo 2n+1 adders are important part of the residue number system (RNS) based arithmetic units with the interesting moduli set (2n-1,2n, 2n+1). In this manuscript we have introduced novel binary representation to the design of modulo 2n+1 adder. VLSI realization of proposed architecture under 180 nm full static CMOS technology reveals its superiority in terms of area, power consumption and power-delay product (PDP) against several peer existing structures.
Keywords: Computer arithmetic, modulo 2n+1 adders, Residue Number System (RNS), VLSI.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1800358 Analyzing the Technology Affecting on the Social Integration of Students at University
Authors: Sujit K. Basak, Simon Collin
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The aim of this paper is to examine the technology access and use on the affecting social integration of local students at university. This aim is achieved by designing a structural equation modeling (SEM) in terms of integration with peers, integration with faculty, faculty support and on the other hand, examining the socio demographic impact on the technology access and use. The collected data were analyzed using the WarpPLS 5.0 software. This study was survey based and it was conducted at a public university in Canada. The results of the study indicated that technology has a strong impact on integration with faculty, faculty support, but technology does not have an impact on integration with peers. However, the social demographic has also an impact on the technology access and use.
Keywords: Faculty, integration, peer, technology access and use.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1557357 Social Aggravations during the Period of Medieval Wars in Europe
Authors: Nurmukhambetov Ardak
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This article makes and attempt to disclose the dynamics of development of social interactions in an aggravated environment in relation to the distinctive features of religious wars and their negative impact to the society. Crisis situations that took place in all spheres of social life are described, on the grounds of which the author comes to specific conclusions.Keywords: War, medieval period, social relations, nation, Europe.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1418356 Agent-Based Simulation and Analysis of Network-Centric Air Defense Missile Systems
Authors: Su-Yan Tang, Wei Zhang, Shan Mei, Yi-Fan Zhu
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Network-Centric Air Defense Missile Systems (NCADMS) represents the superior development of the air defense missile systems and has been regarded as one of the major research issues in military domain at present. Due to lack of knowledge and experience on NCADMS, modeling and simulation becomes an effective approach to perform operational analysis, compared with those equation based ones. However, the complex dynamic interactions among entities and flexible architectures of NCADMS put forward new requirements and challenges to the simulation framework and models. ABS (Agent-Based Simulations) explicitly addresses modeling behaviors of heterogeneous individuals. Agents have capability to sense and understand things, make decisions, and act on the environment. They can also cooperate with others dynamically to perform the tasks assigned to them. ABS proves an effective approach to explore the new operational characteristics emerging in NCADMS. In this paper, based on the analysis of network-centric architecture and new cooperative engagement strategies for NCADMS, an agent-based simulation framework by expanding the simulation framework in the so-called System Effectiveness Analysis Simulation (SEAS) was designed. The simulation framework specifies components, relationships and interactions between them, the structure and behavior rules of an agent in NCADMS. Based on scenario simulations, information and decision superiority and operational advantages in NCADMS were analyzed; meanwhile some suggestions were provided for its future development.Keywords: air defense missile systems, network-centric, agent-based simulation, simulation framework, information superiority, decision superiority, operational advantages
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2288355 An Empirical Dynamic Fuel Cell Model Used for Power System Verification in Aerospace
Authors: Giuliano Raimondo, Jörg Wangemann, Peer Drechsel
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In systems development involving Fuel Cells generators, it is important to have from an early stage of the project a dynamic model for the electrical behavior of the stack to be shared between involved development parties. It allows independent and early design and tests of fuel cell related power electronic. This paper presents an empirical Fuel Cell system model derived from characterization tests on a real system. Moreover, it is illustrated how the obtained model is used to build and validate a real-time Fuel Cell system emulator which is used for aerospace electrical integration testing activities.
Keywords: Fuel cell dynamics, real time simulation, fuel cell, modelling, testing.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1081354 Sun, Salon, and Cosmetic Tanning: Predictors and Motives
Authors: Andrew Reilly, Nancy A. Rudd
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The appearance management behavior of tanning by gay men is examined through the lens of Impression Formation. The study proposes that body image, self-esteem, and internalized homophobia are connected and affect the motives for engaging in sun, salon, and cosmetic tanning. Motives examined were: to look masculine, to look attractive to (potential) partners, to look attractive in general, to socialize, to meet a peer standard, and for personal satisfaction. Using regression analysis to examine data of 103 gay men who engage in at least one method of tanning, results reveal that components of body image and internalized homophobia–but not self-esteem–are linked to various motives and methods of tanning. These findings support and extend the literature of Impression Formation Theory and provide practitioners in the health and healthrelated fields new avenues to pursue when dealing with diseases related to tanning.
Keywords: Body image, gay men, tanning.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1548353 Modeling of Pulsatile Blood Flow in a Weak Magnetic Field
Authors: Chee Teck Phua, Gaëlle Lissorgues
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Blood pulse is an important human physiological signal commonly used for the understanding of the individual physical health. Current methods of non-invasive blood pulse sensing require direct contact or access to the human skin. As such, the performances of these devices tend to vary with time and are subjective to human body fluids (e.g. blood, perspiration and skin-oil) and environmental contaminants (e.g. mud, water, etc). This paper proposes a simulation model for the novel method of non-invasive acquisition of blood pulse using the disturbance created by blood flowing through a localized magnetic field. The simulation model geometry represents a blood vessel, a permanent magnet, a magnetic sensor, surrounding tissues and air in 2-dimensional. In this model, the velocity and pressure fields in the blood stream are described based on Navier-Stroke equations and the walls of the blood vessel are assumed to have no-slip condition. The blood assumes a parabolic profile considering a laminar flow for blood in major artery near the skin. And the inlet velocity follows a sinusoidal equation. This will allow the computational software to compute the interactions between the magnetic vector potential generated by the permanent magnet and the magnetic nanoparticles in the blood. These interactions are simulated based on Maxwell equations at the location where the magnetic sensor is placed. The simulated magnetic field at the sensor location is found to assume similar sinusoidal waveform characteristics as the inlet velocity of the blood. The amplitude of the simulated waveforms at the sensor location are compared with physical measurements on human subjects and found to be highly correlated.
Keywords: Blood pulse, magnetic sensing, non-invasive measurement, magnetic disturbance.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2614352 Analysis on Spatiotemporal Pattern of Land Surface Temperature in Kunming City, China
Authors: Jinrui Ren, Li Wu
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Anthropogenic activities and changes of underlying surface affect the temporal and spatial distribution of surface temperature in Kunming. Taking Kunming city as the research area, the surface temperature in 2000, 2010 and 2020 as the research object, using ENVI 5.3 and ArcGIS 10.8 as auxiliary tools, and based on the spatial autocorrelation method, this paper devoted to exploring the interactions among the changes of surface temperature, urban heat island effect and land use type, so as to provide theoretical basis and scientific basis for mitigating climate change. The results showed that: (1) The heat island effect was obvious in Kunming City, the high temperature area increased from 604 km2 in 2000 to 1269 km2 in 2020, and the sub-high temperature area reached 1099 km2 in 2020; (2) In terms of space, the spatial distribution of LST was significantly different with the change of underlying surface. The high temperature zone extended in three directions: south, north and east. The overall spatial distribution pattern of LST was high in the east and low in the west. (3) The inter-annual fluctuation of land surface temperature (LST) was large, and the growth rate was faster, from 2000 to 2010. The lowest temperature in 2000 was 13.45 ℃, which raised to 19.71 ℃ in 2010, and the temperature difference in 10 years was 6.26 ℃. (4) The land use/land cover type has a strong effect on the change of LST: the man-made land made a great contribution to the increase of LST, followed by grassland and farmland, while forest and water have a significant cooling effect on LST. To sum up, the variation of surface temperature in Kunming is the result of the interactions of human activities and climate change.
Keywords: Surface temperature, urban heat island effect, land use cover type, spatiotemporal variation.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 186351 Insertion of Thiazolidinediones into Carbon Nanotube
Authors: Behnoush Zare, Mojdeh Akhavan, Ahmad Reza Dehpour
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In this study we investigate the insertion of pioglitazone, a Thiazolidinedione, into the two different sizes of Carbon nanotub. It was shown that the insertion of pioglitazone into the carbon nanotube in a water solute environment could be related to the diameter of the nanotube and in the flow of the waters via hydrophilic interactions. This encapsulated drug-carbon nanotube molecule can be further applicable in other investigations in target therapy with these agents regarding to reduce their potential toxic effects.Keywords: Carbon Nanotube, MD Simulation, Thiazolidinedions
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1827350 Teachers’ Awareness of the Significance of Lifelong Learning: A Case Study of Secondary School Teachers of Batna – Algeria
Authors: Bahloul Amel
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This study is an attempt to raise the awareness of the stakeholders and the authorities on the sensitivity of Algerian secondary school teachers of English as a Foreign Language about the students’ loss of English language skills learned during formal schooling with effort and at expense and the supposed measures to arrest that loss. Data was collected from secondary school teachers of EFL and analyzed quantitatively using a questionnaire containing open-ended and close-ended questions. The results advocate a consensus about the need for actions to be adopted to make assessment techniques outcome-oriented. Most of the participants were in favor of including curricular activities involving contextualized learning, problem-solving learning critical selfawareness, self and peer-assisted learning, use of computers and internet so as to make learners autonomous.
Keywords: Contextualized learning, EFL, Lifelong learning.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2062349 A Framework for Ranking Quality of Information on Weblog
Authors: Mohammad Javad Kargar, Fatemeh Azimzadeh
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The vast amount of information on the World Wide Web is created and published by many different types of providers. Unlike books and journals, most of this information is not subject to editing or peer review by experts. This lack of quality control and the explosion of web sites make the task of finding quality information on the web especially critical. Meanwhile new facilities for producing web pages such as Blogs make this issue more significant because Blogs have simple content management tools enabling nonexperts to build easily updatable web diaries or online journals. On the other hand despite a decade of active research in information quality (IQ) there is no framework for measuring information quality on the Blogs yet. This paper presents a novel experimental framework for ranking quality of information on the Weblog. The results of data analysis revealed seven IQ dimensions for the Weblog. For each dimension, variables and related coefficients were calculated so that presented framework is able to assess IQ of Weblogs automatically.Keywords: Information Quality, Weblog, Web Ranking, Web- Quality.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1844348 Caught in the Tractor Beam of Larger Influences: The Filtration of Innovation in Education Technology Design
Authors: Justin D. Olmanson, Fitsum F. Abebe, Valerie Jones, Eric Kyle, Lyrica Lucas, Katherine Robbins, Guieswende Rouamba, Xianquan Liu
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While emerging technologies continue to emerge, research into their use in learning contexts often focuses on a subset of educational practices and ways of using technologies. In this study we begin to explore the extent to which educational designs are influenced by larger societal and education-related factors not usually explicitly considered when designing or identifying technology-supported education experiences for research study. We examine patterns within and between factors via a content analysis across ten years and 19 different journals of published peer-reviewed research on technology-supported writing. Our findings have implications for how researchers, designers, and educators approach technology-supported educational design within and beyond the field of writing and literacy.Keywords: Writing, emerging technology, learning, curriculum, pedagogy.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1834347 Open Science Philosophy and Paradigm of Scientific Research
Authors: C. Ardil
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This paper presents the open science philosophy and paradigm of scientific research on how to transform classical research and innovation approaches. Open science is the practice of providing free and unrestricted online access to the products of scholarly research. Open science advocates for the immediate and unrestricted online access to published, peer-reviewed research in digital format. Open science research is made available for free in perpetuity and includes guidelines and/or licenses that communicate how researchers and readers can share and re-use the digital content. The emergence of open science has changed the scholarly research and publishing landscape, making research more broadly accessible to academic and non-academic audiences alike. Consequently, open science philosophy and its practice are discussed to cover all aspects of cyberscience in the context of research and innovation excellence for the benefit of global society.Keywords: Open science, open data, open access, cyberscience , cybertechnology.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 679346 Predicting Foreign Direct Investment of IC Design Firms from Taiwan to East and South China Using Lotka-Volterra Model
Authors: Bi-Huei Tsai
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This work explores the inter-region investment behaviors of Integrated Circuit (IC) design industry from Taiwan to China using the amount of foreign direct investment (FDI). According to the mutual dependence among different IC design industrial locations, Lotka-Volterra model is utilized to explore the FDI interactions between South and East China. Effects of inter-regional collaborations on FDI flows into China are considered. The analysis results show that FDIs into South China for IC design industry significantly inspire the subsequent FDIs into East China, while FDIs into East China for Taiwan’s IC design industry significantly hinder the subsequent FDIs into South China. Because the supply chain along IC industry includes upstream IC design, midstream manufacturing, as well as downstream packing and testing enterprises, IC design industry has to cooperate with IC manufacturing, packaging and testing industries in the same area to form a strong IC industrial cluster. Taiwan’s IC design industry implement the largest FDI amount into East China and the second largest FDI amount into South China among the four regions: North, East, Mid-West and South China. If IC design houses undertake more FDIs in South China, those in East China are urged to incrementally implement more FDIs into East China to maintain the competitive advantages of the IC supply chain in East China. On the other hand, as the FDIs in East China rise, the FDIs in South China will successively decline since capitals have concentrated in East China. In addition, this investigation proves that the prediction of Lotka-Volterra model in FDI trends is accurate because the industrial interactions between the two regions are included. Finally, this work confirms that the FDI flows cannot reach a stable equilibrium point, so the FDI inflows into East and South China will expand in the future.Keywords: Lotka-Volterra model, Foreign direct investment, Competitive, Equilibrium analysis.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1472345 Energy Interaction among HVAC and Supermarket Environment
Authors: D. Woradechjumroen, H. Li, Y. Yu
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Supermarkets are the most electricity-intensive type of commercial buildings. The unsuitable indoor environment of a supermarket provided by abnormal HVAC operations incurs waste energy consumption in refrigeration systems. This current study briefly describes significantly solid backgrounds and proposes easyto- use analysis terminology for investigating the impact of HVAC operations on refrigeration power consumption using the field-test data obtained from building automation system (BAS). With solid backgrounds and prior knowledge, expected energy interactions between HVAC and refrigeration systems are proposed through Pearson’s correlation analysis (R value) by considering correlations between equipment power consumption and dominantly independent variables (driving force conditions).The R value can be conveniently utilized to evaluate how strong relations between equipment operations and driving force parameters are. The calculated R values obtained from field data are compared to expected ranges of R values computed by energy interaction methodology. The comparisons can separate the operational conditions of equipment into faulty and normal conditions. This analysis can simply investigate the condition of equipment operations or building sensors because equipment could be abnormal conditions due to routine operations or faulty commissioning processes in field tests. With systematically solid and easy-to-use backgrounds of interactions provided in the present article, the procedures can be utilized as a tool to evaluate the proper commissioning and routine operations of HVAC and refrigeration systems to detect simple faults (e.g. sensors and driving force environment of refrigeration systems and equipment set-point) and optimize power consumption in supermarket buildings. Moreover, the analysis will be used to further study the FDD research for supermarkets in future.
Keywords: Energy interaction, HVAC, R-value, Supermarket buildings.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3223344 Critical Assessment of Scoring Schemes for Protein-Protein Docking Predictions
Authors: Dhananjay C. Joshi, Jung-Hsin Lin
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Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.
Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1805343 Producing and Mechanical Testing of Urea-Formaldehyde Resin Foams Reinforced by Waste Phosphogypsum
Authors: Krasimira Georgieva, Yordan Denev
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Many of thermosetting resins have application only in filled state, reinforced with different mineral fillers. The co-filling of polymers with mineral filler and gases creates a possibility for production of polymer composites materials with low density. This processing leads to forming of new materials – gas-filled plastics (polymer foams). The properties of these materials are determined mainly by the shape and size of internal structural elements (pores). The interactions on the phase boundaries have influence on the materials properties too. In the present work, the gas-filled urea-formaldehyde resins were reinforced by waste phosphogypsum. The waste phosphogypsum (CaSO4.2H2O) is a solid by-product in wet phosphoric acid production processes. The values of the interactions polymer-filler were increased by using two modifying agents: polyvinyl acetate for polymer matrix and sodium metasilicate for filler. Technological methods for gas-filling and recipes of urea-formaldehyde based materials with apparent density 20-120 kg/m3 were developed. The heat conductivity of the samples is between 0.024 and 0.029 W/moK. Tensile analyses were carried out at 10 and 50% deformation and show values 0.01-0.14 MPa and 0.01-0.09 MPa, respectively. The apparent density of obtained materials is between 20 and 92 kg/m3. The changes in the tensile properties and density of these materials according to sodium metasilicate content were studied too. The mechanism of phosphogypsum adsorption modification was studied using methods of FT-IR spectroscopy. The structure of the gas-filled urea-formaldehyde resins was described by results of electron scanning microscopy at three different magnification ratios – x50, x150 and x 500. The aim of present work is to study the possibility of the usage of phosphogypsum as mineral filler for urea-formaldehyde resins and development of a technology for the production of gas-filled reinforced polymer composite materials. The structure and the properties of obtained composite materials are suitable for thermal and sound insulation applications.
Keywords: Gas-filled thermosets, mechanical properties, phosphogypsum, urea-formaldehyde resins.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 713342 Complex Network Approach to International Trade of Fossil Fuel
Authors: Semanur Soyyiğit Kaya, Ercan Eren
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Energy has a prominent role for development of nations. Countries which have energy resources also have strategic power in the international trade of energy since it is essential for all stages of production in the economy. Thus, it is important for countries to analyze the weaknesses and strength of the system. On the other side, international trade is one of the fields that are analyzed as a complex network via network analysis. Complex network is one of the tools to analyze complex systems with heterogeneous agents and interaction between them. A complex network consists of nodes and the interactions between these nodes. Total properties which emerge as a result of these interactions are distinct from the sum of small parts (more or less) in complex systems. Thus, standard approaches to international trade are superficial to analyze these systems. Network analysis provides a new approach to analyze international trade as a network. In this network, countries constitute nodes and trade relations (export or import) constitute edges. It becomes possible to analyze international trade network in terms of high degree indicators which are specific to complex networks such as connectivity, clustering, assortativity/disassortativity, centrality, etc. In this analysis, international trade of crude oil and coal which are types of fossil fuel has been analyzed from 2005 to 2014 via network analysis. First, it has been analyzed in terms of some topological parameters such as density, transitivity, clustering etc. Afterwards, fitness to Pareto distribution has been analyzed via Kolmogorov-Smirnov test. Finally, weighted HITS algorithm has been applied to the data as a centrality measure to determine the real prominence of countries in these trade networks. Weighted HITS algorithm is a strong tool to analyze the network by ranking countries with regards to prominence of their trade partners. We have calculated both an export centrality and an import centrality by applying w-HITS algorithm to the data. As a result, impacts of the trading countries have been presented in terms of high-degree indicators.Keywords: Complex network approach, fossil fuel, international trade, network theory.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2386341 Kinetics and Thermodynamics Adsorption of Phenolic Compounds on Organic-Inorganic Hybrid Mesoporous Material
Authors: Makhlouf Mourad, Messabih Sidi Mohamed, Bouchher Omar, Houali Farida, Benrachedi Khaled
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Mesoporous materials are very commonly used as adsorbent materials for removing phenolic compounds. However, the adsorption mechanism of these compounds is still poorly controlled. However, understanding the interactions mesoporous materials/adsorbed molecules is very important in order to optimize the processes of liquid phase adsorption. The difficulty of synthesis is to keep an orderly and cubic pore structure and achieve a homogeneous surface modification. The grafting of Si(CH3)3 was chosen, to transform hydrophilic surfaces hydrophobic surfaces. The aim of this work is to study the kinetics and thermodynamics of two volatile organic compounds VOC phenol (PhOH) and P hydroxy benzoic acid (4AHB) on a mesoporous material of type MCM-48 grafted with an organosilane of the Trimethylchlorosilane (TMCS) type, the material thus grafted or functionalized (hereinafter referred to as MCM-48-G). In a first step, the kinetic and thermodynamic study of the adsorption isotherms of each of the VOCs in mono-solution was carried out. In a second step, a similar study was carried out on a mixture of these two compounds. Kinetic models (pseudo-first order, pseudo-second order) were used to determine kinetic adsorption parameters. The thermodynamic parameters of the adsorption isotherms were determined by the adsorption models (Langmuir, Freundlich). The comparative study of adsorption of PhOH and 4AHB proved that MCM-48-G had a high adsorption capacity for PhOH and 4AHB; this may be related to the hydrophobicity created by the organic function of TMCS in MCM-48-G. The adsorption results for the two compounds using the Freundlich and Langmuir models show that the adsorption of 4AHB was higher than PhOH. The values obtained by the adsorption thermodynamics show that the adsorption interactions for our sample with the phenol and 4AHB are of a physical nature. The adsorption of our VOCs on the MCM-48 (G) is a spontaneous and exothermic process.
Keywords: Adsorption, kinetics, isotherm, mesoporous materials, TMCS, phenol, P-hydroxy benzoic acid.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 800340 A General Model for Amino Acid Interaction Networks
Authors: Omar Gaci, Stefan Balev
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In this paper we introduce the notion of protein interaction network. This is a graph whose vertices are the protein-s amino acids and whose edges are the interactions between them. Using a graph theory approach, we identify a number of properties of these networks. We compare them to the general small-world network model and we analyze their hierarchical structure.Keywords: interaction network, protein structure, small-world network.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1577339 Chilean Business Orientalism: The Role of Non-State Actors in the Frame of Asymmetric Bilateral Relations
Authors: Pablo Ampuero, Claudia Labarca
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The current research paper assesses how the narrative of Chilean businesspeople about China shapes a new Orientalism Analyses on the role of non-state actors in foreign policy that have hitherto theorized about Orientalism as a narrative of hegemonic power. Hence, it has been instrumental to the efforts of imperialist powers to justify their mission civilisatrice. However, such conceptualization can seldom explain new complexities of international interactions at the height of globalization. Hence, we assessed the case of Chile, a small Latin American country, and its relationship with China, its largest trading partner. Through a discourse analysis of interviews with Chilean businesspeople engaged in the Chinese market, we could determine that Chile is building an Orientalist image of China. This new business Orientalism reinforces a relation of alterity based on commercial opportunities, traditional values, and natural dispositions. Hence, the perception of the Chinese Other amongst Chilean business people frames a new set of representations as part of the essentially commercial nature of current bilateral relations. It differs from previous frames, such as the racial bias frame of the early 20th century, or the anti-communist frame in reaction to Mao’s leadership. As in every narrative of alterity, there is not only a construction of the Other but also a definition of the Self. Consequently, this analysis constitutes a relevant case of the role of non-state actors in asymmetrical bilateral relations, where the non-state actors of the minor power build and act upon an Orientalist frame, which is not representative of its national status in the relation. This study emerges as a contribution on the relation amongst non-state actors in asymmetrical relations, where the smaller power’s business class acts on a negative prejudice of its interactions with its counterpart. The research builds upon the constructivist approach to international relations, linking the idea of Nation Branding with Orientalism in the case of Chile-China relations.
Keywords: New business Orientalism, small power, framing, Chile-China relations.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1014338 Hybrid Prefix Adder Architecture for Minimizing the Power Delay Product
Authors: P.Ramanathan, P.T.Vanathi
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Parallel Prefix addition is a technique for improving the speed of binary addition. Due to continuing integrating intensity and the growing needs of portable devices, low-power and highperformance designs are of prime importance. The classical parallel prefix adder structures presented in the literature over the years optimize for logic depth, area, fan-out and interconnect count of logic circuits. In this paper, a new architecture for performing 8-bit, 16-bit and 32-bit Parallel Prefix addition is proposed. The proposed prefix adder structures is compared with several classical adders of same bit width in terms of power, delay and number of computational nodes. The results reveal that the proposed structures have the least power delay product when compared with its peer existing Prefix adder structures. Tanner EDA tool was used for simulating the adder designs in the TSMC 180 nm and TSMC 130 nm technologies.Keywords: Parallel Prefix Adder (PPA), Dot operator, Semi-Dotoperator, Complementary Metal Oxide Semiconductor (CMOS), Odd-dot operator, Even-dot operator, Odd-semi-dot operator andEven-semi-dot operator.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1725337 Modeling Stress-Induced Regulatory Cascades with Artificial Neural Networks
Authors: Maria E. Manioudaki, Panayiota Poirazi
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Yeast cells live in a constantly changing environment that requires the continuous adaptation of their genomic program in order to sustain their homeostasis, survive and proliferate. Due to the advancement of high throughput technologies, there is currently a large amount of data such as gene expression, gene deletion and protein-protein interactions for S. Cerevisiae under various environmental conditions. Mining these datasets requires efficient computational methods capable of integrating different types of data, identifying inter-relations between different components and inferring functional groups or 'modules' that shape intracellular processes. This study uses computational methods to delineate some of the mechanisms used by yeast cells to respond to environmental changes. The GRAM algorithm is first used to integrate gene expression data and ChIP-chip data in order to find modules of coexpressed and co-regulated genes as well as the transcription factors (TFs) that regulate these modules. Since transcription factors are themselves transcriptionally regulated, a three-layer regulatory cascade consisting of the TF-regulators, the TFs and the regulated modules is subsequently considered. This three-layer cascade is then modeled quantitatively using artificial neural networks (ANNs) where the input layer corresponds to the expression of the up-stream transcription factors (TF-regulators) and the output layer corresponds to the expression of genes within each module. This work shows that (a) the expression of at least 33 genes over time and for different stress conditions is well predicted by the expression of the top layer transcription factors, including cases in which the effect of up-stream regulators is shifted in time and (b) identifies at least 6 novel regulatory interactions that were not previously associated with stress-induced changes in gene expression. These findings suggest that the combination of gene expression and protein-DNA interaction data with artificial neural networks can successfully model biological pathways and capture quantitative dependencies between distant regulators and downstream genes.
Keywords: gene modules, artificial neural networks, yeast, stress
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1464336 Exploring Socio-Economic Barriers of Green Entrepreneurship in Iran and Their Interactions Using Interpretive Structural Modeling
Authors: Younis Jabarzadeh, Rahim Sarvari, Negar Ahmadi Alghalandis
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Entrepreneurship at both individual and organizational level is one of the most driving forces in economic development and leads to growth and competition, job generation and social development. Especially in developing countries, the role of entrepreneurship in economic and social prosperity is more emphasized. But the effect of global economic development on the environment is undeniable, especially in negative ways, and there is a need to rethink current business models and the way entrepreneurs act to introduce new businesses to address and embed environmental issues in order to achieve sustainable development. In this paper, green or sustainable entrepreneurship is addressed in Iran to identify challenges and barriers entrepreneurs in the economic and social sectors face in developing green business solutions. Sustainable or green entrepreneurship has been gaining interest among scholars in recent years and addressing its challenges and barriers need much more attention to fill the gap in the literature and facilitate the way those entrepreneurs are pursuing. This research comprised of two main phases: qualitative and quantitative. At qualitative phase, after a thorough literature review, fuzzy Delphi method is utilized to verify those challenges and barriers by gathering a panel of experts and surveying them. In this phase, several other contextually related factors were added to the list of identified barriers and challenges mentioned in the literature. Then, at the quantitative phase, Interpretive Structural Modeling is applied to construct a network of interactions among those barriers identified at the previous phase. Again, a panel of subject matter experts comprised of academic and industry experts was surveyed. The results of this study can be used by policymakers in both the public and industry sector, to introduce more systematic solutions to eliminate those barriers and help entrepreneurs overcome challenges of sustainable entrepreneurship. It also contributes to the literature as the first research in this type which deals with the barriers of sustainable entrepreneurship and explores their interaction.
Keywords: Green entrepreneurship, barriers, Fuzzy Delphi Method, interpretive structural modeling.
Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1408