Search results for: turbulent and molecular diffusion

Authors: Prakash G L, Thejaswini M, S H Manjula, K R Venugopal, L M Patnaik

Abstract:

The Sensor Network consists of densely deployed sensor nodes. Energy optimization is one of the most important aspects of sensor application design. Data acquisition and aggregation techniques for processing data in-network should be energy efficient. Due to the cross-layer design, resource-limited and noisy nature of Wireless Sensor Networks(WSNs), it is challenging to study the performance of these systems in a realistic setting. In this paper, we propose optimizing queries by aggregation of data and data redundancy to reduce energy consumption without requiring all sensed data and directed diffusion communication paradigm to achieve power savings, robust communication and processing data in-network. To estimate the per-node power consumption POWERTossim mica2 energy model is used, which provides scalable and accurate results. The performance analysis shows that the proposed methods overcomes the existing methods in the aspects of energy consumption in wireless sensor networks.

Keywords: Data Aggregation, Directed Diffusion, Partial Aggregation, Packet Merging, Query Plan.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1790

Authors: Z. Pavlík, J. Žumár, M. Pavlíková, J. Kočí, R. Černý

Abstract:

Water vapour transport properties of gypsum block are studied in dependence on relative humidity using inverse analysis based on genetic algorithm. The computational inverse analysis is performed for the relative humidity profiles measured along the longitudinal axis of a rod sample. Within the performed transient experiment, the studied sample is exposed to two environments with different relative humidity, whereas the temperature is kept constant. For the basic gypsum characterisation and for the assessment of input material parameters necessary for computational application of genetic algorithm, the basic material properties of gypsum are measured as well as its thermal and water vapour storage parameters. On the basis of application of genetic algorithm, the relative humidity dependent water vapour diffusion coefficient and water vapour diffusion resistance factor are calculated.

Keywords: Water vapour transport, gypsum block, transient experiment, genetic algorithm.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1619

Authors: Jonathan H. Perez, Fumihiko Tanaka, Daisuke Hamanaka, Toshitaka Uchino

Abstract:

A finite element analysis was conducted to determine the effect of moisture diffusion and hygroscopic swelling in rice. A parallel simple stochastic modeling was performed to predict the number of grains cracked as a result of moisture absorption and hygroscopic swelling. Rice grains were soaked in thermally (25 oC) controlled water and then tested for compressive stress. The destructive compressive stress tests revealed through compressive stress calculation that the peak force required to cause cracking in grains soaked in water reduced with time as soaking duration was extended. Results of the experiment showed that several grains had their value of the predicted compressive stress below the von Mises stress and were interpreted as grains which become cracked and/or broke during soaking. The technique developed in this experiment will facilitate the approximation of the number of grains which will crack during soaking.

Keywords: Cracking, Finite element analysis, hygroscopic swelling, moisture diffusion, von Mises stress.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1879

Authors: Chanin Park, Sundarapandian Thangapandian, Yuno Lee, Minky Son, Shalini John, Young-sik Sohn, Keun Woo Lee

Abstract:

Hypertension is characterized with stress on the heart and blood vessels thus increasing the risk of heart attack and renal diseases. The Renin angiotensin system (RAS) plays a major role in blood pressure control. Renin is the enzyme that controls the RAS at the rate-limiting step. Our aim is to develop new drug-like leads which can inhibit renin and thereby emerge as therapeutics for hypertension. To achieve this, molecular dynamics (MD) simulation and receptor-based pharmacophore modeling were implemented, and three rennin-inhibitor complex structures were selected based on IC50 value and scaffolds of inhibitors. Three pharmacophore models were generated considering conformations induced by inhibitor. The compounds mapped to these models were selected and subjected to drug-like screening. The identified hits were docked into the active site of renin. Finally, hit1 satisfying the binding mode and interaction energy was selected as possible lead candidate to be used in novel renin inhibitors.

Keywords: Renin inhibitor, Molecular dynamics simulation, Structure-based pharmacophore modeling

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1931

Authors: Khalid Alammar

Abstract:

Aim of this study is to evaluate a new three-equation turbulence model applied to flow and heat transfer through a pipe. Uncertainty is approximated by comparing with published direct numerical simulation results for fully-developed flow. Error in the mean axial velocity, temperature, friction, and heat transfer is found to be negligible.

Keywords: Heat Transfer, Nusselt number, Skin friction, Turbulence.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2404

Authors: J. Luebkemann, P. Nyhuis

Abstract:

Nowadays companies are facing an increasing turbulent environment. It is more and more important to react fast on changes to stay competitive. But not only the technology has to be adaptable; also the frame conditions for the production have to adapt as fast as the other elements of a manufacturing company. Therefore, the Institute of Production Systems and Logistics of the Leibniz University of Hanover has implemented a research project to describe and develop changeable organizational structures. The results of the analysis, which design principles can be used to evolve an organizational structure of a factory regarding their changeability will be presented in this paper.

Keywords: Changeability, factory, organization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1975

Authors: Åmo, B.W.

Abstract:

This paper contributes to the analysis of the design of regional development programs. This is a case study the birth, life, death and afterlife of a stately development program in Norway, supporting diffusion of innovations by promoting e-business in SMEs (small and medium sized enterprises).

The study shows that joint projects like regional development programs have to be designed such that the present value of the future benefits always exceeds the present value of the future effort for all stakeholders vital for the survival of the project. The study also indicate that a development program not always have one common goal which all the stakeholders agree upon. There are several stakeholders who may have different goals by playing a part in the realization of the program.

Even if some parties evaluate the results of a development program as a failure, other may have attained their goals. The lessons learned from this study may advise the designers of development programs involving many independent stakeholders. There is a lack of research examining failing development programs, investigating the reasons for it to be considered a failure. This paper shows why a development program was terminated and gives hint to how joint programs could be designed in order for the program to deliver the wanted results to all the key stakeholders.

Keywords: Regional development initiatives, development program, stakeholders, diffusion of innovations, goal fulfillment, design of development programs.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1677

Authors: Jeong-Won Kang

Abstract:

Graphene, a single-atom sheet, has been considered as the most promising material for making future nanoelectromechanical systems as well as purely electrical switching with graphene transistors. Graphene-based devices have advantages in scaled-up device fabrication due to the recent progress in large area graphene growth and lithographic patterning of graphene nanostructures. Here we investigated its mechanical responses of circular graphene nanoflake under the nanoindentation using classical molecular dynamics simulations. A correlation between the load and the indentation depth was constructed. The nanoindented force in this work was applied to the center point of the circular graphene nanoflake and then, the resonance frequency could be tuned by a nanoindented depth. We found the hardening or the softening of the graphene nanoflake during its nanoindented-deflections, and such properties were recognized by the shift of the resonance frequency. The calculated mechanical parameters in the force-vs-deflection plot were in good agreement with previous experimental and theoretical works. This proposed schematics can detect the pressure via the deflection change or/and the resonance frequency shift, and also have great potential for versatile applications in nanoelectromechanical systems.

Keywords: Graphene, pressure sensor, circular graphene nanoflake, molecular dynamics.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1676

Authors: Raju Bhukya, DVLN Somayajulu

Abstract:

Pattern matching is one of the fundamental applications in molecular biology. Searching DNA related data is a common activity for molecular biologists. In this paper we explore the applicability of a new pattern matching technique called Index based Forward Backward Multiple Pattern Matching algorithm(IFBMPM), for DNA Sequences. Our approach avoids unnecessary comparisons in the DNA Sequence due to this; the number of comparisons of the proposed algorithm is very less compared to other existing popular methods. The number of comparisons rapidly decreases and execution time decreases accordingly and shows better performance.

Keywords: Comparisons, DNA Sequence, Index.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2331

Authors: Jianwei Zhang, Dazhi Jiang, Huaxin Peng, Chunqi Wang

Abstract:

Stress-strain curve of inter-tube connected carbon nanotube (CNT) reinforced polymer composite under axial loading generated from molecular dynamics simulation is presented. Comparison of the response to axial mechanical loading between this composite system with composite systems reinforced by long, continuous CNTs (replicated via periodic boundary conditions) and short, discontinuous CNTs has been made. Simulation results showed that the inter-tube connection improved the mechanical properties of short discontinuous CNTs dramatically. Though still weaker than long CNT/polymer composite, more remarkable increase in the stiffness relative to the polymer was observed in the inter-tube connected CNT/polymer composite than in the discontinuous CNT/polymer composite. The manually introduced bridge break process resulted in a stress-strain curve of ductile fracture mode, which is consistent with the experimental result.

Keywords: Carbon nanotube, inter-tube connection, molecular dynamics, stress-strain curve

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1724

Authors: K. Westmoreland Bowers, Matthew W. Ragas, Jeffrey C. Neely

Abstract:

The purpose of this study was to assess the value of Second Life among post-secondary instructors with experience using Second Life as an educational tool. Using Everett Rogers-s diffusion of innovations theory, survey respondents (N = 162), were divided into three adopter categories: innovators, early adopters and the early majority. Respondents were from 15 countries and 25 academic disciplines, indicating the considerable potential this innovation has to be adopted across many different borders and in many areas of academe. Nearly 94% of respondents said they plan to use Second Life again as an educational tool. However, no significant differences were found in instructors- levels of satisfaction with Second Life as an educational tool or their perceived effect on student learning across adopter categories. On the other hand, instructors who conducted class fully in Second Life were significantly more satisfied than those who used Second Life as only a small supplement to a real-world class. Overall, personal interest factors, rather than interpersonal communication factors, most influenced respondents- decision to adopt Second Life as an educational tool. In light of these findings, theoretical implications are discussed and practical suggestions are provided.

Keywords: Second Life, Virtual Worlds, Educational Technology, Diffusion of Innovations

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2013

Authors: Nurul Bahiyah Ahmad Khairudin, Habibah A Wahab

Abstract:

A new approach to predict the 3D structures of proteins by combining the knowledge-based method and Molecular Dynamics Simulation is presented on the chicken villin headpiece subdomain (HP-36). Comparative modeling is employed as the knowledge-based method to predict the core region (Ala9-Asn28) of the protein while the remaining residues are built as extended regions (Met1-Lys8; Leu29-Phe36) which then further refined using Molecular Dynamics Simulation for 120 ns. Since the core region is built based on a high sequence identity to the template (65%) resulting in RMSD of 1.39 Å from the native, it is believed that this well-developed core region can act as a 'nucleation center' for subsequent rapid downhill folding. Results also demonstrate that the formation of the non-native contact which tends to hamper folding rate can be avoided. The best 3D model that exhibits most of the native characteristics is identified using clustering method which then further ranked based on the conformational free energies. It is found that the backbone RMSD of the best model compared to the NMR-MDavg is 1.01 Å and 3.53 Å, for the core region and the complete protein, respectively. In addition to this, the conformational free energy of the best model is lower by 5.85 kcal/mol as compared to the NMR-MDavg. This structure prediction protocol is shown to be effective in predicting the 3D structure of small globular protein with a considerable accuracy in much shorter time compared to the conventional Molecular Dynamics simulation alone.

Keywords: 3D model, Chicken villin headpiece subdomain, Molecular dynamic simulation NMR-MDavg, RMSD.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1507

Authors: N. Santatriniaina, J. Deseure, T.Q. Nguyen, H. Fontaine, C. Beitia, L. Rakotomanana

Abstract:

Nowadays, with the increasing of the wafer's size and the decreasing of critical size of integrated circuit manufacturing in modern high-tech, microelectronics industry needs a maximum attention to challenge the contamination control. The move to 300 [mm] is accompanied by the use of Front Opening Unified Pods for wafer and his storage. In these pods an airborne cross contamination may occur between wafers and the pods. A predictive approach using modeling and computational methods is very powerful method to understand and qualify the AMCs cross contamination processes. This work investigates the required numerical tools which are employed in order to study the AMCs cross-contamination transfer phenomena between wafers and FOUPs. Numerical optimization and finite element formulation in transient analysis were established. Analytical solution of one dimensional problem was developed and the calibration process of physical constants was performed. The least square distance between the model (analytical 1D solution) and the experimental data are minimized. The behavior of the AMCs intransient analysis was determined. The model framework preserves the classical forms of the diffusion and convection-diffusion equations and yields to consistent form of the Fick's law. The adsorption process and the surface roughness effect were also traduced as a boundary condition using the switch condition Dirichlet to Neumann and the interface condition. The methodology is applied, first using the optimization methods with analytical solution to define physical constants, and second using finite element method including adsorption kinetic and the switch of Dirichlet to Neumann condition.

Keywords: AMCs, FOUP, cross-contamination, adsorption, diffusion, numerical analysis, wafers, Dirichlet to Neumann, finite elements methods, Fick’s law, optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3080

Authors: S. Desouky, A. Al sabagh , M. Betiha, A. Badawi, A. Ghanem, S. Khalil

Abstract:

Two Amphiphilic catalysts, iron (III) dodecylbenzene sulfonate and nickel (II) dodecylbenzene sulfonate, were synthesized and used in the catalytic aquathermolysis of heavy crude oil to reduce its viscosity. The prepared catalysts exhibited good performance in the aquathermolysis and the viscosity is reduced by ~ 78.9 % for Egyptian heavy crude oil. The chemical and physical properties of heavy oil both before and after reaction were investigated by FT-IR, dynamic viscosity, molecular weight and SARA analysis. The results indicated that the content of resin, asphaltene, average molecular weight and sulfur content of heavy oil is reduced after the catalytic aquathermolysis.

Keywords: Amphiphilic catalyst, Aquathermolysis, Heavy oil, Viscosity reduction.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 4437

Authors: Chyi Jaw

Abstract:

Prior literature on innovation diffusion or acceptance has almost exclusively concentrated on consumers’ positive attitudes and behaviors for new products/services. Consumers’ negative attitudes or behaviors to innovations have received relatively little marketing attention, but it happens frequently in practice. This study discusses consumer psychological factors when they try to learn or use new technologies. According to recent research, technological innovation acceptance has been considered as a dynamic or mediated process. This research argues that consumers can experience inertia and emotions in the initial use of new technologies. However, given such consumer psychology, the argument can be made as to whether the inclusion of consumer inertia (routine seeking and cognitive rigidity) and emotions increases the predictive power of new technology acceptance model. As data from the empirical study find, the process is potentially consumer emotion changing (independent of performance benefits) because of technology complexity and consumer inertia, and impact innovative technology use significantly. Finally, the study presents the superior predictability of the hypothesized model, which let managers can better predict and influence the successful diffusion of complex technological innovations.

Keywords: Cognitive rigidity, consumer emotions, new technology acceptance, routine seeking, technology complexity.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2751

Authors: Sacide Güzin Mazman, Yasemin Koçak Usluel

Abstract:

Possible advantages of technology in educational context required the defining boundaries of formal and informal learning. Increasing opportunity to ubiquitous learning by technological support has revealed a question of how to discover the potential of individuals in the spontaneous environments such as social networks. This seems to be related with the question of what purposes in social networks have been being used? Social networks provide various advantages in educational context as collaboration, knowledge sharing, common interests, active participation and reflective thinking. As a consequence of these, the purpose of this study is composed of proposing a new model that could determine factors which effect adoption of social network applications for usage in educational context. While developing a model proposal, the existing adoption and diffusion models have been reviewed and they are thought to be suitable on handling an original perspective instead of using completely other diffusion or acceptance models because of different natures of education from other organizations. In the proposed model; social factors, perceived ease of use, perceived usefulness and innovativeness are determined four direct constructs that effect adoption process. Facilitating conditions, image, subjective norms and community identity are incorporated to model as antecedents of these direct four constructs.

Keywords: Adoption of innovation, educational context, social networks.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3825

Authors: Isaac Kofi Mensah, Jianing Mi, Feng Cheng

Abstract:

This research paper seeks to investigate the factors determining the continuance usage of online mobile payment applications among WECHAT users in China. Technology Acceptance Model (TAM) and the Diffusion of Innovation (DOI) theory would both be applied as the theoretical foundation for this study. A developed instrument would be administered to the targeted sample of 1000 WECHAT Users in the City of Harbin, China, through an online questionnaire administration platform. Factors such as perceived usefulness, perceived ease of use, perceived service quality, social influence, trust in the internet, internet self-efficacy, relative advantage, compatibility, and complexity would be explored to determine its significant impact on the continuance intention to use mobile payment apps. This study is at the development and implementation stage. The successful completion of this research article would not only provide an insightful understanding of the factors influencing the decision of WECHAT users in China to use mobile payment applications but also enrich the e-commerce adoption literature.

Keywords: Diffusion of innovation (DOI), e-commerce, mobile payment, technology acceptance model (TAM), WECHAT.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1567

Authors: Safaa Al-Ali, Ahmad Shahin, Fadi Chakik

Abstract:

Image coding based on clustering provides immediate access to targeted features of interest in a high quality decoded image. This approach is useful for intelligent devices, as well as for multimedia content-based description standards. The result of image clustering cannot be precise in some positions especially on pixels with edge information which produce ambiguity among the clusters. Even with a good enhancement operator based on PDE, the quality of the decoded image will highly depend on the clustering process. In this paper, we introduce an ambiguity cluster in image coding to represent pixels with vagueness properties. The presence of such cluster allows preserving some details inherent to edges as well for uncertain pixels. It will also be very useful during the decoding phase in which an anisotropic diffusion operator, such as Perona-Malik, enhances the quality of the restored image. This work also offers a comparative study to demonstrate the effectiveness of a fuzzy clustering technique in detecting the ambiguity cluster without losing lot of the essential image information. Several experiments have been carried out to demonstrate the usefulness of ambiguity concept in image compression. The coding results and the performance of the proposed algorithms are discussed in terms of the peak signal-tonoise ratio and the quantity of ambiguous pixels.

Keywords: Ambiguity Cluster, Anisotropic Diffusion, Fuzzy Clustering, Image Compression.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1526

Authors: Zone-Ching Lin, Meng-Hua Lin, Ying-Chih Hsu

Abstract:

This paper uses quasi-steady molecular statics model and diamond tool to carry out simulation temperature rise of nanoscale orthogonal cutting single-crystal silicon. It further qualitatively analyzes temperature field of silicon workpiece without considering heat transfer and considering heat transfer. This paper supposes that the temperature rise of workpiece is mainly caused by two heat sources: plastic deformation heat and friction heat. Then, this paper develops a theoretical model about production of the plastic deformation heat and friction heat during nanoscale orthogonal cutting. After the increased temperature produced by these two heat sources are added up, the acquired total temperature rise at each atom of the workpiece is substituted in heat transfer finite difference equation to carry out heat transfer and calculates the temperature field in each step and makes related analysis.

Keywords: Quasi-steady molecular statics, Nanoscale orthogonal cutting, Finite difference, Temperature.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1895

Authors: A. R. Shahani, E. Mahdavi, M. Amidpour

Abstract:

Environment-assisted cracking (EAC) is one of the most serious causes of structural failure over a broad range of industrial applications including offshore structures. In EAC condition there is not a definite relation such as Paris equation in Linear Elastic Fracture Mechanics (LEFM). According to studying and searching a lot what the researchers said either a material has contact with hydrogen or any other corrosive environment, phenomenon of electrical and chemical reactions of material with its environment will be happened. In the literature, there are many different works to consider fatigue crack growing and solve it but they are experimental works. Thus, in this paper, authors have an aim to evaluate mathematically the pervious works in LEFM. Obviously, if an environment is more sour and corrosive, the changes of stress intensity factor is more and the calculation of stress intensity factor is difficult. A mathematical relation to deal with the stress intensity factor during the diffusion of sour environment especially hydrogen in a marine pipeline is presented. By using this relation having and some experimental relation an analytical formulation will be presented which enables the fatigue crack growth and critical crack length under cyclic loading to be predicted. In addition, we can calculate KSCC and stress intensity factor in the pipeline caused by EAC.

Keywords: Embrittlement, Fracture mechanics, Hydrogen diffusion, Stress intensity factor.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2295

Authors: Juraj Belan, Lenka Hurtalová, Eva Tillová, Alan Vaško, Milan Uhríčik

Abstract:

High pressure turbine (HPT) blades of DV – 2 jet engines are made from Ni – based superalloy. This alloy was originally manufactured in the Soviet Union and referred as ŽS6K. For improving alloy’s high temperature resistance are blades coated with Al – Si diffusion layer. A regular operation temperature of HPT blades vary from 705°C to 750°C depending on jet engine regime. An overcrossing working temperature range causes degradation of the protective coating as well as base material which microstructure is formed by the gamma matrix and strengthening phase gamma prime (forming small particles in the microstructure). Diffusion processes inside the material during exposition of the material to high temperatures causes mainly coarsening of the gamma prime particles, thus decreasing its strengthening effect. Degradation of the Al – Si coating caused its thickness growth. All the microstructure changes and coating layer thickness growth results in decreasing of the turbine blade operation lifetime.

Keywords: Alitize coating layer, gamma prime phase, high temperature degradation, Ni – base superalloy ŽS6K, turbine blade.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2135

Authors: Sarkar M. A. Kawsar, Sarkar M. A. Mamun, Md S. Rahman, Hidetaro Yasumitsu, Yasuhiro Ozeki

Abstract:

The present study has been taken to explore the screening of in vitro antimicrobial activities of D-galactose-binding sponge lectin (HOL-30). HOL-30 was purified from the marine demosponge Halichondria okadai by affinity chromatography. The molecular mass of the lectin was determined to be 30 kDa with a single polypeptide by SDS-PAGE under non-reducing and reducing conditions. HOL-30 agglutinated trypsinized and glutaraldehydefixed rabbit and human erythrocytes with preference for type O erythrocytes. The lectin was subjected to evaluation for inhibition of microbial growth by the disc diffusion method against eleven human pathogenic gram-positive and gram-negative bacteria. The lectin exhibited strong antibacterial activity against gram-positive bacteria, such as Bacillus megaterium and Bacillus subtilis. However, it did not affect against gram-negative bacteria such as Salmonella typhi and Escherichia coli. The largest zone of inhibition was recorded of Bacillus megaterium (12 in diameter) and Bacillus subtilis (10 mm in diameter) at a concentration of the lectin (250 μg/disc). On the other hand, the antifungal activity of the lectin was investigated against six phytopathogenic fungi based on food poisoning technique. The lectin has shown maximum inhibition (22.83%) of mycelial growth of Botrydiplodia theobromae at a concentration of 100 μg/mL media. These findings indicate that the lectin may be of importance to clinical microbiology and have therapeutic applications.

Keywords: Antibacterial, Halichondria okadai, Inhibition zone, Lectin.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2239

Authors: Tudor Petreuş, Andrei Neamţu, Cristina Dascălu, Paul Dan Sîrbu, Carmen E. Cotrutz

Abstract:

Matrix metalloproteinases (MMP) are a class of structural and functional related enzymes involved in altering the natural elements of the extracellular matrix. Most of the MMP structures are cristalographycally determined and published in WorldWide ProteinDataBank, isolated, in full structure or bound to natural or synthetic inhibitors. This study proposes an algorithm to replace missing crystallographic structures in PDB database. We have compared the results of a chosen docking algorithm with a known crystallographic structure in order to validate enzyme sites reconstruction there where crystallographic data are missing.

Keywords: matrix metalloproteinases, molecular docking, structure superposition, surface complementarity.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1566

Authors: R. Deju, M. Mincu, D. Gurau

Abstract:

During the interim storage or final disposal of low level waste, migration/diffusion of radionuclides can occur when the waste comes in contact with water. The long-term leaching behaviour into surrounding fluid (demineralized water) of ¹³⁷Cs, ⁶⁰Co and ¹⁵²Eu radionuclides, artificially incorporated in mortar matrices made from natural aggregates (river sand) and recycled radioactive concrete was studied. Results presented in this work are obtained in two years of mortar testing and will be used for the safety increasing in the storage of low level radioactive waste. The study involved the influence of curing time, type and size distribution of the aggregates on leaching behaviour. The mortar samples were immersed in distilled water for 30 days. The leached activity of the mortar samples was measured on samples from the immersing water and analyzed through a gamma-ray spectrometry method using an HPGe detector with a GESPECOR code for efficiency evaluation. The long-term leaching behaviour of the radionuclides was evaluated from the leaching data calculating the apparent diffusion coefficient.

Keywords: Leaching behaviour, recycling of radioactive concrete, waste management, gamma-ray spectrometry.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1048

Authors: A. A. Amer, H. M. Gad, I. A. Ibrahim, S. I. Abdel-Mageed, T. M. Farag

Abstract:

This paper represents an experimental study of LPG diffusion flame at elevated preheated air temperatures. The flame is stabilized in a vertical water-cooled combustor by using air swirler. An experimental test rig was designed to investigate the different operating conditions. The burner head is designed so that the LPG fuel issued centrally and surrounded by the swirling air issues from an air swirler. There are three air swirlers having the same dimensions but having different blade angles to give different swirl numbers of 0.5, 0.87 and 1.5. The combustion air was heated electrically before entering the combustor up to a temperature about 500 K. Five air to fuel mass ratios of 15, 20, 30, 40 and 50 were also studied. The effect of preheated air temperature, swirl number and air to fuel mass ratios on the temperature maps, visible flame length, high temperature region (size) and exhaust species concentrations are studied. Some results show that as the preheated air temperature increases, the volume of high temperature region also increased but the flame length decreased. Increasing the preheated air temperature, EINOx, EICO2 and EIO2 increased, while EICO decreased. Increasing the preheated air temperature from 300 to 500 K, for all air swirl numbers used, the highest increase in EINOx, EICO2 and EIO2 are 141, 4 and 65%, respectively.

Keywords: Preheated air temperature, air swirler, flame length, emission index.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1984

Authors: Permphan Dharmasaroja

Abstract:

Acute disseminated encephalomyelitis (ADEM) has been reported to develop after a hymenoptera sting, but its pathogenesis is not known in detail. Myelin basic protein (MBP)- specific T cells have been detected in the blood of patients with ADEM, and a proportion of these patients develop multiple sclerosis (MS). In an attempt to understand the mechanisms underlying ADEM, molecular mimicry between hymenoptera venom peptides and the human immunodominant MBP peptide was scrutinized, based on the sequence and structural similarities, whether it was the root of the disease. The results suggest that the three wasp venom peptides have low sequence homology with the human immunodominant MBP residues 85-99. Structural similarity analysis among the three venom peptides and the MS-related HLA-DR2b (DRA, DRB1*1501)-associated immunodominant MHC binding/TCR contact residues 88-93, VVHFFK showed that hyaluronidase residues 7-12, phospholipase A1 residues 98-103, and antigen 5 residues 109-114 showed a high degree of similarity 83.3%, 100%, and 83.3% respectively. In conclusion, some wasp venom peptides, particularly phospholipase A1, may potentially act as the molecular motifs of the human 3HLA-DR2b-associated immunodominant MBP88-93, and possibly present a mechanism for induction of wasp sting-associated ADEM.

Keywords: central nervous system, Hymenoptera, myelin basicprotein, molecular mimicry.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1577

Authors: Babak Safaei, A. M. Fattahi

Abstract:

In the present study we have investigated axial buckling characteristics of nanocomposite beams reinforced by single-walled carbon nanotubes (SWCNTs). Various types of beam theories including Euler-Bernoulli beam theory, Timoshenko beam theory and Reddy beam theory were used to analyze the buckling behavior of carbon nanotube-reinforced composite beams. Generalized differential quadrature (GDQ) method was utilized to discretize the governing differential equations along with four commonly used boundary conditions. The material properties of the nanocomposite beams were obtained using molecular dynamic (MD) simulation corresponding to both short-(10,10) SWCNT and long- (10,10) SWCNT composites which were embedded by amorphous polyethylene matrix. Then the results obtained directly from MD simulations were matched with those calculated by the mixture rule to extract appropriate values of carbon nanotube efficiency parameters accounting for the scale-dependent material properties. The selected numerical results were presented to indicate the influences of nanotube volume fractions and end supports on the critical axial buckling loads of nanocomposite beams relevant to long- and short-nanotube composites.

Keywords: Nanocomposites, molecular dynamics simulation, axial buckling, generalized differential quadrature (GDQ).

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1864

Authors: Malika.D Kedir-Talha, Mohamed Mehenni

Abstract:

In order to be able to automatically differentiate between two modes of permanent flow of a liquid simulating blood, it was imperative to put together a data bank. Thus, the acquisition of the various amplitude spectra of the Doppler signal of this liquid in laminar flow and other spectra in turbulent flow enabled us to establish an automatic difference between the two modes. According to the number of parameters and their nature, a comparative study allowed us to choose the best classifier.

Keywords: Doppler spectrum, flow mode, pattern recognition, permanent flow.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1162

Authors: G. V. Novikov, V. S. Sivozhelezov, S. S. Kolesnikov, K. V. Shaitan

Abstract:

The study reports about the influence of binding of orthosteric ligands as well as point mutations on the conformational dynamics of β-2-adrenoreceptor. Using molecular dynamics simulation we found that there was a little fraction of active states of the receptor in its apo (ligand free) ensemble corresponded to its constitutive activity. Analysis of MD trajectories indicated that such spontaneous activation of the receptor is accompanied by the motion in intracellular part of its alpha-helices. Thus receptor’s constitutive activity directly results from its conformational dynamics. On the other hand the binding of a full agonist resulted in a significant shift of the initial equilibrium towards its active state. Finally, the binding of the inverse agonist stabilized the receptor in its inactive state. It is likely that the binding of inverse agonists might be a universal way of constitutive activity inhibition in vivo. Our results indicate that ligand binding redistribute pre-existing conformational degrees of freedom (in accordance to the Monod-Wyman-Changeux-Model) of the receptor rather than cause induced fit in it. Therefore, the ensemble of biologically relevant receptor conformations is encoded in its spatial structure, and individual conformations from that ensemble might be used by the cell in conformity with the physiological behavior.

Keywords: Seven-transmembrane receptors, constitutive activity, activation, x-ray crystallography, principal component analysis, molecular dynamics simulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3910

Authors: Amin Eisazadeh, Khairul Anuar Kassim, Hadi Nur

Abstract:

The expansive nature of soils containing high amounts of clay minerals can be altered through chemical stabilization, resulting in a material suitable for construction purposes. The primary objective of this investigation was to study the changes induced in the molecular structure of phosphoric acid stabilized bentonite and lateritic soil using Nuclear Magnetic Resonance (NMR) and Fourier Transform Infrared (FTIR) spectroscopy. Based on the obtained data, it was found that a surface alteration mechanism was the main reason responsible for the improvement of treated soils. Furthermore, the results indicated that the Al present in the octahedral layer of clay minerals were more amenable to chemical attacks and also partly responsible for the formation of new products.

Keywords: Bentonite, Laterite clay, Molecularcharacterization, Phosphoric acid, Stabilization

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2356