Search results for: smoothed dissipative particle dynamics
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 4481

Search results for: smoothed dissipative particle dynamics

1541 A Comprehensive Safety Analysis for a Pressurized Water Reactor Fueled with Mixed-Oxide Fuel as an Accident Tolerant Fuel

Authors: Mohamed Y. M. Mohsen

Abstract:

The viability of utilising mixed-oxide fuel (MOX) ((U₀.₉, rgPu₀.₁) O₂) as an accident-tolerant fuel (ATF) has been thoroughly investigated. MOX fuel provides the best example of a nuclear waste recycling process. The MCNPX 2.7 code was used to determine the main neutronic features, especially the radial power distribution, to identify the hot channel on which the thermal-hydraulic (TH) study was performed. Based on the computational fluid dynamics technique, the simulation of the rod-centered thermal-hydraulic subchannel model was implemented using COMSOL Multiphysics. TH analysis was utilised to determine the axially and radially distributed temperatures of the fuel and cladding materials, as well as the departure from the nucleate boiling ratio (DNBR) along the coolant channel. COMSOL Multiphysics can simulate reality by coupling multiphysics, such as coupling between heat transfer and solid mechanics. The main solid structure parameters, such as the von Mises stress, volumetric strain, and displacement, were simulated using this coupling. When the neutronic, TH, and solid structure performances of UO₂ and ((U₀.₉, rgPu₀.₁) O₂) were compared, the results showed considerable improvement and an increase in safety margins with the use of ((U₀.₉, rgPu₀.₁) O₂).

Keywords: mixed-oxide, MCNPX, neutronic analysis, COMSOL-multiphysics, thermal-hydraulic, solid structure

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1540 Investigating the Dynamics of Knowledge Acquisition in Learning Using Differential Equations

Authors: Gilbert Makanda, Roelf Sypkens

Abstract:

A mathematical model for knowledge acquisition in teaching and learning is proposed. In this study we adopt the mathematical model that is normally used for disease modelling into teaching and learning. We derive mathematical conditions which facilitate knowledge acquisition. This study compares the effects of dropping out of the course at early stages with later stages of learning. The study also investigates effect of individual interaction and learning from other sources to facilitate learning. The study fits actual data to a general mathematical model using Matlab ODE45 and lsqnonlin to obtain a unique mathematical model that can be used to predict knowledge acquisition. The data used in this study was obtained from the tutorial test results for mathematics 2 students from the Central University of Technology, Free State, South Africa in the department of Mathematical and Physical Sciences. The study confirms already known results that increasing dropout rates and forgetting taught concepts reduce the population of knowledgeable students. Increasing teaching contacts and access to other learning materials facilitate knowledge acquisition. The effect of increasing dropout rates is more enhanced in the later stages of learning than earlier stages. The study opens up a new direction in further investigations in teaching and learning using differential equations.

Keywords: differential equations, knowledge acquisition, least squares nonlinear, dynamical systems

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1539 Viscous Flow Computations for the Diffuser Section of a Large Cavitation Tunnel

Authors: Ahmet Y. Gurkan, Cagatay S. Koksal, Cagri Aydin, U. Oral Unal

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The present paper covers the viscous flow computations for the asymmetric diffuser section of a large, high-speed cavitation tunnel which will be constructed in Istanbul Technical University. The analyses were carried out by using the incompressible Reynold-Averaged-Navier-Stokes equations. While determining the diffuser geometry, a high quality, separation-free flow field with minimum energy loses was particularly aimed. The expansion angle has a critical role on the diffuser hydrodynamic performance. In order obtain a relatively short diffuser length, due to the constructive limitations, and hydrodynamic energy effectiveness, three diffuser sections with varying expansion angles for side and bottom walls were considered. A systematic study was performed to determine the most effective diffuser configuration. The results revealed that the inlet condition of the diffuser greatly affects its flow field. The inclusion of the contraction section in the computations substantially modified the flow topology in the diffuser. The effect of the diffuser flow on the test section flow characteristics was clearly observed. The influence of the introduction of small chamfers at the corners of the diffuser geometry is also presented.

Keywords: asymmetric diffuser, diffuser design, cavitation tunnel, viscous flow, computational fluid dynamics (CFD), rans

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1538 Reduction of Aerodynamic Drag Using Vortex Generators

Authors: Siddharth Ojha, Varun Dua

Abstract:

Classified as one of the most important reasons of aerodynamic drag in the sedan automobiles is the fluid flow separation near the vehicle’s rear end. To retard the separation of flow, bump-shaped vortex generators are being tested for its implementation to the roof end of a sedan vehicle. Frequently used in the aircrafts to prevent the separation of fluid flow, vortex generators themselves produce drag, but they also substantially reduce drag by preventing flow separation at the downstream. The net effects of vortex generators can be calculated by summing the positive and negative impacts and effects. Since this effect depends on dimensions and geometry of vortex generators, those present on the vehicle roof are optimized for maximum efficiency and performance. The model was tested through ANSYS CFD analysis and modeling. The model was tested in the wind tunnel for observing it’s properties such as aerodynamic drag and flow separation and a major time lag was gained by employing vortex generators in the scaled model. Major conclusions which were recorded during the analysis were a substantial 24% reduction in the aerodynamic drag and 14% increase in the efficiency of the sedan automobile as the flow separation from the surface is delayed. This paper presents the results of optimization, the effect of vortex generators in the flow field and the mechanism by which these effects occur and are regulated.

Keywords: aerodynamics, aerodynamic devices, body, computational fluid dynamics (CFD), flow visualization

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1537 Empirical Investigation of Bullwhip Effect with Sensitivity Analysis in Supply Chain

Authors: Shoaib Yousaf

Abstract:

The main purpose of this research is to the empirical investigation of the bullwhip effect under sensitivity analysis in the two-tier supply chain. The simulation modeling technique has been applied in this research as a research methodology to see the sensitivity analysis of the bullwhip effect in the rice industry of Pakistan. The research comprises two case studies that have been chosen as a sample. The results of this research have confirmed that reduction in production delay reduces the bullwhip effect, which conforms to the time compressing paradigm and the significance of the reduction in production delay to lessen demand amplification. The result of this research also indicates that by increasing the value of time to adjust inventory decreases the bullwhip effect. Furthermore, by decreasing the value of alpha increases the damping effect of the exponential smoother, it is not surprising that it also reduces the bullwhip effect. Moreover, by reducing the value of time to work in progress also reduces the bullwhip effect. This research will help practitioners and operation managers to reduces the major costs of their products in three ways. They can reduce their i) inventory levels, ii) better utilize their capacity and iii) improve their forecasting techniques. However, this study is based on two tier supply chain, while in reality the supply chain has got many tiers. Hence, future work will be extended across more than two-tier supply chains.

Keywords: bullwhip effect, rice industry, supply chain dynamics, simulation, sensitivity analysis

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1536 Electrochemical Study of Prepared Cubic Fluorite Structured Titanium Doped Lanthanum Gallium Cerate Electrolyte for Low Temperature Solid Oxide Fuel Cell

Authors: Rida Batool, Faizah Altaf, Saba Nadeem, Afifa Aslam, Faisal Alamgir, Ghazanfar Abbas

Abstract:

Today, the need of the hour is to find out alternative renewable energy resources in order to reduce the burden on fossil fuels and prevent alarming environmental degradation. Solid oxide fuel cell (SOFC) is considered a good alternative energy conversion device because it is environmentally benign and supplies energy on demand. The only drawback associated with SOFC is its high operating temperature. In order to reduce operating temperature, different types of composite material are prepared. In this work, titanium doped lanthanum gallium cerate (LGCT) composite is prepared through the co-precipitation method as electrolyte and examined for low temperature SOFCs (LTSOFCs). The structural properties are analyzed by X-Ray Diffractometry (XRD) and Fourier Transform Infrared (FTIR) Spectrometry. The surface properties are investigated by Scanning Electron Microscopy (SEM). The electrolyte LGCT has the formula LGCTO₃ because it showed two phases La.GaO and Ti.CeO₂. The average particle size is found to be (32 ± 0.9311) nm. The ionic conductivity is achieved to be 0.073S/cm at 650°C. Arrhenius plots are drawn to calculate activation energy and found 2.96 eV. The maximum power density and current density are achieved at 68.25mW/cm² and 357mA/cm², respectively, at 650°C with hydrogen. The prepared material shows excellent ionic conductivity at comparatively low temperature, that makes it a potentially good candidate for LTSOFCs.

Keywords: solid oxide fuel cell, LGCTO₃, cerium composite oxide, ionic conductivity, low temperature electrolyte

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1535 Dynamics of Marital Status and Information Search through Consumer Generated Media: An Exploratory Study

Authors: Shivkumar Krishnamurti, Ruchi Agarwal

Abstract:

The study examines the influence of marital status on consumers of products and services using blogs as a source of information. A pre-designed questionnaire was used to collect the primary data from the respondents (experiences). Data were collected from one hundred and eighty seven respondents residing in and around the Emirates of Sharjah and Dubai of the United Arab Emirates. The collected data was analyzed with the help of statistical tools such as averages, percentages, factor analysis, student’s t-test and structural equation modeling technique. Objectives of the study are to know the reasons how married and unmarried or single consumers of products and services are motivated to use blogs as a source of information, to know whether the consumers of products and services irrespective of their marital status share their views and experiences with other bloggers and to know the respondents’ future intentions towards blogging. The study revealed the following: Majority of the respondents have the motivation to blog because they are willing to receive comments on what they post about services, convenience of blogs to search for information about services and products, by blogging respondents share information on the symptoms of a disease/ disorder that may be experienced by someone, helps to share information about ready to cook mix products and are keen to spend more time blogging in the future.

Keywords: blog, consumer, information, marital status

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1534 Optimization of Sodium Lauryl Surfactant Concentration for Nanoparticle Production

Authors: Oluwatoyin Joseph Gbadeyan, Sarp Adali, Bright Glen, Bruce Sithole

Abstract:

Sodium lauryl surfactant concentration optimization, for nanoparticle production, provided the platform for advanced research studies. Different concentrations (0.05 %, 0.1 %, and 0.2 %) of sodium lauryl surfactant was added to snail shells powder during milling processes for producing CaCO3 at smaller particle size. Epoxy nanocomposites prepared at filler content 2 wt.% synthesized with different volumes of sodium lauryl surfactant were fabricated using a conventional resin casting method. Mechanical properties such as tensile strength, stiffness, and hardness of prepared nanocomposites was investigated to determine the effect of sodium lauryl surfactant concentration on nanocomposite properties. It was observed that the loading of the synthesized nano-calcium carbonate improved the mechanical properties of neat epoxy at lower concentrations of sodium lauryl surfactant 0.05 %. Meaningfully, loading of achatina fulica snail shell nanoparticles manufactures, with small concentrations of sodium lauryl surfactant 0.05 %, increased the neat epoxy tensile strength by 26%, stiffness by 55%, and hardness by 38%. Homogeneous dispersion facilitated, by the addition of sodium lauryl surfactant during milling processes, improved mechanical properties. Research evidence suggests that nano-CaCO3, synthesized from achatina fulica snail shell, possesses suitable reinforcement properties that can be used for nanocomposite fabrication. The evidence showed that adding small concentrations of sodium lauryl surfactant 0.05 %, improved dispersion of nanoparticles in polymetrix material that provided mechanical properties improvement.

Keywords: sodium lauryl surfactant, mechanical properties , achatina fulica snail shel, calcium carbonate nanopowder

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1533 Challenging Human Trade in Sub-Saharan Africa and Beyond: A Foresight Approach to Contextualizing and Understanding the Consequences of Sub-Saharan Africa’s Demographic Emergence

Authors: Ricardo Schnug

Abstract:

This paper puts the transnational crime of human trafficking in the context of Sub-Saharan Africa and its quickly growing youth bulge. By mapping recent and concurrent trends and emerging issues, it explores the implications that it has not only for the region itself but also for the greater global dynamics of the issue. Through the application of Causal Layered Analysis to various alternative future scenarios as well as the identification of the core narrative surrounding the international discourse, it is possible to understand more deeply the forces that underlie future trafficking and what change becomes possible. With the provision of a reconstructed narrative that avoids the current blind spots, this research points out the need for a new and organic leadership paradigm that allows for a more holistic and future-oriented inquiry about socio-economic and political change and what it entails for a transnational crime such as human trafficking. 'Ubuntu' as a social and leadership philosophy then, provides the principles needed for creating this path towards a truly preferred future. Furthermore, this paper inspires follow-up research and the continuous monitoring and transdisciplinary research of this region’s demographic emergence as well as its possible consequences that have been explored in this inquiry.

Keywords: causal layered analysis, emerging issues, human trafficking, scenarios, sub-Saharan Africa

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1532 An Analysis of the Temporal Aspects of Visual Attention Processing Using Rapid Series Visual Processing (RSVP) Data

Authors: Shreya Borthakur, Aastha Vartak

Abstract:

This Electroencephalogram (EEG) project on Rapid Visual Serial Processing (RSVP) paradigm explores the temporal dynamics of visual attention processing in response to rapidly presented visual stimuli. The study builds upon previous research that used real-world images in RSVP tasks to understand the emergence of object representations in the human brain. The objectives of the research include investigating the differences in accuracy and reaction times between 5 Hz and 20 Hz presentation rates, as well as examining the prominent brain waves, particularly alpha and beta waves, associated with the attention task. The pre-processing and data analysis involves filtering EEG data, creating epochs for target stimuli, and conducting statistical tests using MATLAB, EEGLAB, Chronux toolboxes, and R. The results support the hypotheses, revealing higher accuracy at a slower presentation rate, faster reaction times for less complex targets, and the involvement of alpha and beta waves in attention and cognitive processing. This research sheds light on how short-term memory and cognitive control affect visual processing and could have practical implications in fields like education.

Keywords: RSVP, attention, visual processing, attentional blink, EEG

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1531 Reconfigurable Consensus Achievement of Multi Agent Systems Subject to Actuator Faults in a Leaderless Architecture

Authors: F. Amirarfaei, K. Khorasani

Abstract:

In this paper, reconfigurable consensus achievement of a team of agents with marginally stable linear dynamics and single input channel has been considered. The control algorithm is based on a first order linear protocol. After occurrence of a LOE fault in one of the actuators, using the imperfect information of the effectiveness of the actuators from fault detection and identification module, the control gain is redesigned in a way to still reach consensus. The idea is based on the modeling of change in effectiveness as change of Laplacian matrix. Then as special cases of this class of systems, a team of single integrators as well as double integrators are considered and their behavior subject to a LOE fault is considered. The well-known relative measurements consensus protocol is applied to a leaderless team of single integrator as well as double integrator systems, and Gersgorin disk theorem is employed to determine whether fault occurrence has an effect on system stability and team consensus achievement or not. The analyses show that loss of effectiveness fault in actuator(s) of integrator systems affects neither system stability nor consensus achievement.

Keywords: multi-agent system, actuator fault, stability analysis, consensus achievement

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1530 Contested Visions of Exploration in IR: Theoretical Engagements, Reflections and New Agendas on the Dynamics of Global Order

Authors: Ananya Sharma

Abstract:

International Relations is a discipline of paradoxes. The State is the dominant political institution, with mainstream analysis theorizing the State, but theory remains at best a reactionary monolith. Critical Theorists have been pushing the envelope and to that extent, there has been a clear shift in the dominant discourse away from State-centrism to individuals and group-level behaviour. This paradigm shift has been accompanied with more nuanced conceptualizations of other variables at play–power, security, and trust, to name a few. Yet, the ambit of “what is discussed” remains primarily embedded in realist conceptualizations. With this background in mind, this paper will attempt to understand, juxtapose and evaluate how “order” has been conceptualized in International Relations theory. This paper is a tentative attempt to present a “state of the art” and in the process, set the stage for a deeper study to draw attention to what the author feels is a gaping lacuna in IR theory. The paper looks at how different branches of international relations theory envisage world order and the silences embedded therein. Further, by locating order and disorder inhabiting the same reality along a continuum, alternative readings of world orders are drawn from the critical theoretical traditions, in which various articulations of justice impart the key normative pillar to the world order.

Keywords: global justice, international relations theory, legitimacy, world order

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1529 Two Dimensional Finite Element Model to Study Calcium Dynamics in Fibroblast Cell with Excess Buffer Approximation Involving ER Flux and SERCA Pump

Authors: Mansha Kotwani

Abstract:

The specific spatio-temporal calcium concentration patterns are required by the fibroblasts to maintain its structure and functions. Thus, calcium concentration is regulated in cell at different levels in various activities of the cell. The variations in cytosolic calcium concentration largely depend on the buffers present in cytosol and influx of calcium into cytosol from ER through IP3Rs or Raynodine receptors followed by reuptake of calcium into ER through sarcoplasmic/endoplasmic reticulum ATPs (SERCA) pump. In order to understand the mechanisms of wound repair, tissue remodeling and growth performed by fibroblasts, it is of crucial importance to understand the mechanisms of calcium concentration regulation in fibroblasts. In this paper, a model has been developed to study calcium distribution in NRK fibroblast in the presence of buffers and ER flux with SERCA pump. The model has been developed for two dimensional unsteady state case. Appropriate initial and boundary conditions have been framed along with physiology of the cell. Finite element technique has been employed to obtain the solution. The numerical results have been used to study the effect of buffers, ER flux and source amplitude on calcium distribution in fibroblast cell.

Keywords: buffers, IP3R, ER flux, SERCA pump, source amplitude

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1528 The Interplay between Technology and Culture in Inbound Call Center Industry

Authors: Joseph Reylan Viray, Kriztine R. Viray

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Call center conversations, more than the business dimensions that they normally manifest, are interactions between human beings. These are communication exchanges that are packed with psychological, cultural and social dimensions that affect the specific experience of the parties. The increasing development of information and communication technology over the past decades brought about important advantages and corresponding disadvantages in the process of communicational transactions in call center industry. It has been established that the technology is so powerful that it strongly affects, among others, call center business. In the present study, the author explores the interplay between the technology being utilized by the industry and the cultural orientations of both the call center agents and their customers in the process of communication exchanges. Specifically, the paper seeks to (1) describe the interplay between culture and technology in inbound call center industry as it affects the communication exchange of the agents and customers; (2) understand the nature and the dynamics of the call center industry as regards the cultural dimensions of Hofstede; and (3) come up with a simple study where the cross-cultural aspect of the call center industry could be highlighted and could provide necessary knowledge to the stakeholders. Cognizant of the complexity of the topic, the researchers employed Hofstede's cultural dimensions. Likewise, another theory that was used in this study is the Computer Mediated Communication Theory.

Keywords: call center industry, culture, Hofstede, CMT, technology

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1527 Bodies in Transit: The African Woman and Migration Ordeals

Authors: Okikiola Olusanu

Abstract:

The us/other relationship between the colonizer and the colonized, which continues to inform the oppression of Africans and highlights the intersectional oppression of postcolonial African women because of the colonialization of the identity of African women, inspired this poem. It reflects 'the body' and the 'embodied' as it journeys through the constructed distance between the white feminine body and colonized bodies in the context of travel. Through vivid imagery, repetition, and powerful language, this poem analyzes the effect of otherness on African women as they struggle with their internalized otherness and a poor sense of belonging, which hinges on the politics of difference which makes it impossible to complement the sameness of another within the liminal space of transition. This poem examines the discourse on the complexities of migration for the African woman by critically examining bodies, space, mobility, and how they interact. Our focus is on their relationship and how it affects African women's place and pace when moving to and through the First World. Through literary and feminist perspectives, this study aims to represent the portrait of the African woman and to decolonize the concept of border. It seeks to address the uniqueness of the African woman’s body, not as the same or different, but as distinct and wholesome to foster fairness, friendship, belonging, and equity in travel. To develop our argument and to establish our findings, we look at the dynamics of the oppression of the postcolonial African woman's body and her resistance.

Keywords: body, identity, African woman, decolonization

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1526 Electric Vehicle Market Penetration Impact on Greenhouse Gas Emissions for Policy-Making: A Case Study of United Arab Emirates

Authors: Ahmed Kiani

Abstract:

The United Arab Emirates is clearly facing a multitude of challenges in curbing its greenhouse gas emissions to meet its pre-allotted framework of Kyoto protocol and COP21 targets due to its hunger for modernization, industrialization, infrastructure growth, soaring population and oil and gas activity. In this work, we focus on the bonafide zero emission electric vehicles market penetration in the country’s transport industry for emission reduction. We study the global electric vehicle market trends, the complementary battery technologies and the trends by manufacturers, emission standards across borders and prioritized advancements which will ultimately dictate the terms of future conditions for the United Arab Emirate transport industry. Based on our findings and analysis at every stage of current viability and state-of-transport-affairs, we postulate policy recommendations to local governmental entities from a supply and demand perspective covering aspects of technology, infrastructure requirements, change in power dynamics, end user incentives program, market regulators behavior and communications amongst key stakeholders. 

Keywords: electric vehicles, greenhouse gas emission reductions, market analysis, policy recommendations

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1525 Robustness Conditions for the Establishment of Stationary Patterns of Drosophila Segmentation Gene Expression

Authors: Ekaterina M. Myasnikova, Andrey A. Makashov, Alexander V. Spirov

Abstract:

First manifestation of a segmentation pattern in the early Drosophila development is the formation of expression domains (along with the main embryo axis) of genes belonging to the trunk gene class. Highly variable expression of genes from gap family in early Drosophila embryo is strongly reduced by the start of gastrulation due to the gene cross-regulation. The dynamics of gene expression is described by a gene circuit model for a system of four gap genes. It is shown that for the formation of a steep and stationary border by the model it is necessary that there existed a nucleus (modeling point) in which the gene expression level is constant in time and hence is described by a stationary equation. All the rest genes expressed in this nucleus are in a dynamic equilibrium. The mechanism of border formation associated with the existence of a stationary nucleus is also confirmed by the experiment. An important advantage of this approach is that properties of the system in a stationary nucleus are described by algebraic equations and can be easily handled analytically. Thus we explicitly characterize the cross-regulation properties necessary for the robustness and formulate the conditions providing this effect through the properties of the initial input data. It is shown that our formally derived conditions are satisfied for the previously published model solutions.

Keywords: drosophila, gap genes, reaction-diffusion model, robustness

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1524 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study

Authors: Ankur Chaudhuri, Sibani Sen Chakraborty

Abstract:

In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.

Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation

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1523 Liquid-Liquid Plug Flow Characteristics in Microchannel with T-Junction

Authors: Anna Yagodnitsyna, Alexander Kovalev, Artur Bilsky

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The efficiency of certain technological processes in two-phase microfluidics such as emulsion production, nanomaterial synthesis, nitration, extraction processes etc. depends on two-phase flow regimes in microchannels. For practical application in chemistry and biochemistry it is very important to predict the expected flow pattern for a large variety of fluids and channel geometries. In the case of immiscible liquids, the plug flow is a typical and optimal regime for chemical reactions and needs to be predicted by empirical data or correlations. In this work flow patterns of immiscible liquid-liquid flow in a rectangular microchannel with T-junction are investigated. Three liquid-liquid flow systems are considered, viz. kerosene – water, paraffin oil – water and castor oil – paraffin oil. Different flow patterns such as parallel flow, slug flow, plug flow, dispersed (droplet) flow, and rivulet flow are observed for different velocity ratios. New flow pattern of the parallel flow with steady wavy interface (serpentine flow) has been found. It is shown that flow pattern maps based on Weber numbers for different liquid-liquid systems do not match well. Weber number multiplied by Ohnesorge number is proposed as a parameter to generalize flow maps. Flow maps based on this parameter are superposed well for all liquid-liquid systems of this work and other experiments. Plug length and velocity are measured for the plug flow regime. When dispersed liquid wets channel walls plug length cannot be predicted by known empirical correlations. By means of particle tracking velocimetry technique instantaneous velocity fields in a plug flow regime were measured. Flow circulation inside plug was calculated using velocity data that can be useful for mass flux prediction in chemical reactions.

Keywords: flow patterns, hydrodynamics, liquid-liquid flow, microchannel

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1522 Demographic Characteristics as a Determinant of the use of Health Care Services: Case of Nsukka, Southwest Nigeria

Authors: Beatrice Adeoye

Abstract:

Studies have associated social and demographic characteristics as strong determinants of utilization of health care services; however, not much has been done to explore the dynamics of these variables in Nigeria. This empirical study explores the link between demographic factors and the future use of health care services in Nsukka, southeast Nigeria. A total of 543 respondents were selected using multi-stage sampling technique. The findings of the study showed that majority (56.9%) of the respondents were female while 43.1% were male. More of the respondents were married (50.3%) while 41.80/0 of the respondents were between ages 26-35. Testing the demographic characteristics regarding where people will prefer to go first for treatment with multiple regression, It is only Sex as a demographic variable that indicates positive association for future occurrence to where people will prefer to go first for treatment with 0.08 significance. Age and education indicates no association considering their level of significance. This result shows that sex is one of the determinant factors of where and when people will go for treatment. This is pointing out the realities regarding African society where in the family setting, it is the father that dictates the cause of action. Also to buttress these findings, cross tabulating age with who determines where and when to go for treatment, findings show that majority (58.9%) within age 26-35 said their spouses decide on where and when to go for treatment. Findings showed that patriarchy still plays an important role in the utilization of health care delivery among the people studied.

Keywords: Demographic characters, Determinant, Health Care, treatment, self-medication, symptom,

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1521 Dynamical Relation of Poisson Spike Trains in Hodkin-Huxley Neural Ion Current Model and Formation of Non-Canonical Bases, Islands, and Analog Bases in DNA, mRNA, and RNA at or near the Transcription

Authors: Michael Fundator

Abstract:

Groundbreaking application of biomathematical and biochemical research in neural networks processes to formation of non-canonical bases, islands, and analog bases in DNA and mRNA at or near the transcription that contradicts the long anticipated statistical assumptions for the distribution of bases and analog bases compounds is implemented through statistical and stochastic methods apparatus with addition of quantum principles, where the usual transience of Poisson spike train becomes very instrumental tool for finding even almost periodical type of solutions to Fokker-Plank stochastic differential equation. Present article develops new multidimensional methods of finding solutions to stochastic differential equations based on more rigorous approach to mathematical apparatus through Kolmogorov-Chentsov continuity theorem that allows the stochastic processes with jumps under certain conditions to have γ-Holder continuous modification that is used as basis for finding analogous parallels in dynamics of neutral networks and formation of analog bases and transcription in DNA.

Keywords: Fokker-Plank stochastic differential equation, Kolmogorov-Chentsov continuity theorem, neural networks, translation and transcription

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1520 A Sustainable Approach for Waste Management: Automotive Waste Transformation into High Value Titanium Nitride Ceramic

Authors: Mohannad Mayyas, Farshid Pahlevani, Veena Sahajwalla

Abstract:

Automotive shredder residue (ASR) is an industrial waste, generated during the recycling process of End-of-life vehicles. The large increasing production volumes of ASR and its hazardous content have raised concerns worldwide, leading some countries to impose more restrictions on ASR waste disposal and encouraging researchers to find efficient solutions for ASR processing. Although a great deal of research work has been carried out, all proposed solutions, to our knowledge, remain commercially and technically unproven. While the volume of waste materials continues to increase, the production of materials from new sustainable sources has become of great importance. Advanced ceramic materials such as nitrides, carbides and borides are widely used in a variety of applications. Among these ceramics, a great deal of attention has been recently paid to Titanium nitride (TiN) owing to its unique characteristics. In our study, we propose a new sustainable approach for ASR management where TiN nanoparticles with ideal particle size ranging from 200 to 315 nm can be synthesized as a by-product. In this approach, TiN is thermally synthesized by nitriding pressed mixture of automotive shredder residue (ASR) incorporated with titanium oxide (TiO2). Results indicated that TiO2 influences and catalyses degradation reactions of ASR and helps to achieve fast and full decomposition. In addition, the process resulted in titanium nitride (TiN) ceramic with several unique structures (porous nanostructured, polycrystalline, micro-spherical and nano-sized structures) that were simply obtained by tuning the ratio of TiO2 to ASR, and a product with appreciable TiN content of around 85% was achieved after only one hour nitridation at 1550 °C.

Keywords: automotive shredder residue, nano-ceramics, waste treatment, titanium nitride, thermal conversion

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1519 Web Quest as the Tool for Business Writing Skills Enhancement at Technical University EFL Classes

Authors: Nadezda Kobzeva

Abstract:

Under the current trend of globalization, economic and technological dynamics information and the means by which it is delivered and renewed becomes out-of-date rapidly. Thus, educational systems as well as higher education are being seriously tested. New strategies’ developing that is supported by Information and Communication Technology is urgently required. The essential educators’ mission is to meet the demands of the future by preparing our young learners with proper knowledge, skills and innovation capabilities necessary to advance our competitiveness globally. In response to the modern society and future demands, the oldest Siberian Tomsk Polytechnic University has wisely proposed several initiatives to promote the integration of Information and Communication Technology (ICT) in education, and increase the competitiveness of graduates by emphasizing inquiry-based learning, higher order thinking and problem solving. This paper gives a brief overview of how Web Quest as ICT device is being used for language teaching and describes its use advantages for teaching English as a Foreign Language (EFL), in particular business writing skills. This study proposes to use Web Quest to promote higher order thinking and ICT integration in the process of engineers training in Tomsk Polytechnic University, Russia.

Keywords: web quest, web quest in pedagogy, resume (CVs) and cover letter writing skills, ICT integration

Procedia PDF Downloads 379
1518 Online Battery Equivalent Circuit Model Estimation on Continuous-Time Domain Using Linear Integral Filter Method

Authors: Cheng Zhang, James Marco, Walid Allafi, Truong Q. Dinh, W. D. Widanage

Abstract:

Equivalent circuit models (ECMs) are widely used in battery management systems in electric vehicles and other battery energy storage systems. The battery dynamics and the model parameters vary under different working conditions, such as different temperature and state of charge (SOC) levels, and therefore online parameter identification can improve the modelling accuracy. This paper presents a way of online ECM parameter identification using a continuous time (CT) estimation method. The CT estimation method has several advantages over discrete time (DT) estimation methods for ECM parameter identification due to the widely separated battery dynamic modes and fast sampling. The presented method can be used for online SOC estimation. Test data are collected using a lithium ion cell, and the experimental results show that the presented CT method achieves better modelling accuracy compared with the conventional DT recursive least square method. The effectiveness of the presented method for online SOC estimation is also verified on test data.

Keywords: electric circuit model, continuous time domain estimation, linear integral filter method, parameter and SOC estimation, recursive least square

Procedia PDF Downloads 381
1517 The Effect of the Combination of Methotrexate Nanoparticles and TiO2 on Breast Cancer

Authors: Nusaiba Al-Nemrawi, Belal Al-Husein

Abstract:

Methotrexate (MTX) is a stoichiometric inhibitor of dihydrofolate reductase, which is essential for DNA synthesis. MTX is a chemotherapeutic agent used for treating many types of cancer cells. However, cells’ resistant to MTX is very common and its pharmacokinetic behavior is highly problematic. of MTX within tumor cells, we propose encapsulation of antitumor drugs in nanoparticulated systems. Chitosan (CS) is a naturally occurring polymer that is biocompatibe, biodegradable, non-toxic, cationic and bioadhesive. CS nanoparticles (CS-NPs) have been used as drug carrier for targeted delivery. Titanium dioxide (TiO2), a natural mineral oxide, which is used in biomaterials due to its high stability and antimicrobial and anticorrosive properties. TiO2 showed a potential as a tumor suppressor. In this study a new formulation of MTX loaded in CS NPs (CS-MTX NPs) and coated with Titanium oxide (TiO2) was prepared. The mean particle size, zeta potential, polydispersity index were measured. The interaction between CS NPs and TiO2 NPs was confirmed using FTIR and XRD. CS-MTX NPs was studied in vitro using the tumor cell line MCF-7 (human breast cancer). The results showed that CS-MTX has a size around 169 nm and as they were coated with TiO2, the size ranged between and depending on the ratio of CS-MTX to TiO2 ratio used in the preparation. All NPs (uncoated and coated carried positive charges and were monodispersed. The entrapment efficacy was around 65%. Both FTIR and XRD proved that TiO2 interacted with CS-MTX NPs. The drug invitro release was controlled and sustained over days. Finally, the studied in vitro using the tumor cell line MCF-7 suggested that combining nanomaterials with anticancer drugs CS-MTX NPs may be more effective than free MTX for cancer treatment. In conclusion, the combination of CS-MTX NPs and TiO2 NPs showed excellent time-dependent in vitro antitumor behavior, therefore, can be employed as a promising anticancer agent to attain efficient results towards MCF-7 cells.

Keywords: Methotrexate, Titanium dioxide, Chitosan nanoparticles, cancer

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1516 Electrical Interactions and Patterning of Bio-Polymers and Nanoparticles in Water Suspensions

Authors: N. V. Klassen, A. A. Vasin, A. M. Likhter, K. A. Voronin, A. V. Mariasevskaya, I. M. Shmit’ko

Abstract:

Regular patterning in mixtures of bio-polymers (chitosan and collagen) and nanoparticles in water suspensions has been found by means of optical microscopy. The patterning was created either by external electrical field of moderate amplitude (200–1000 v/cm) or spontaneously. Simultaneously with the patterning pushing out of water drops mixed with nanoparticles to the external regions was observed. These phenomena are explained by interactions of charged bio-polymers and nanoparticles with external and internal electrical fields as well as with the regions of decreased dielectrical permittivity surrounding nano-objects in water which possesses anomalously high dielectrical permittivity. Electrical charges of opposite signs of the nano-objects induce their mutual attraction whereas dipole moments created around these nano-objects by the electrical fields are pushing these particles to the regions with lower fields. Due to this reason, non-homogeneities of dielectrical permittivity around nano-objects immersed into water suspension induces mutual repulsion of the objects. This spatial decrease of this repulsion with the inter-particle distances is more sharp than that of the Coulomb attraction. So, at longer distances, the attractions are stronger whereas at shorter distances the repulsion prevails. At a certain distance these two forces compensate each other creating the equilibrium state of the mixture of nano-objects with opposite charges. When the groups of positive and negative nano-objects consist from identical particles, quasi-periodical pattern of the suspension is observed like mesoscopic two-dimensional super-crystal. These results can clarify the mechanisms of healing of internal organs with direct or alternative electrical fields.

Keywords: bio-polymers, chitosan, collagen, nanoparticles, Coulomb attraction, polarization repulsion, periodical patterning, electrical low frequency resonances

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1515 Geospatial and Statistical Evidences of Non-Engineered Landfill Leachate Effects on Groundwater Quality in a Highly Urbanised Area of Nigeria

Authors: David A. Olasehinde, Peter I. Olasehinde, Segun M. A. Adelana, Dapo O. Olasehinde

Abstract:

An investigation was carried out on underground water system dynamics within Ilorin metropolis to monitor the subsurface flow and its corresponding pollution. Africa population growth rate is the highest among the regions of the world, especially in urban areas. A corresponding increase in waste generation and a change in waste composition from predominantly organic to non-organic waste has also been observed. Percolation of leachate from non-engineered landfills, the chief means of waste disposal in many of its cities, constitutes a threat to the underground water bodies. Ilorin city, a transboundary town in southwestern Nigeria, is a ready microcosm of Africa’s unique challenge. In spite of the fact that groundwater is naturally protected from common contaminants such as bacteria as the subsurface provides natural attenuation process, groundwater samples have been noted to however possesses relatively higher dissolved chemical contaminants such as bicarbonate, sodium, and chloride which poses a great threat to environmental receptors and human consumption. The Geographic Information System (GIS) was used as a tool to illustrate, subsurface dynamics and the corresponding pollutant indicators. Forty-four sampling points were selected around known groundwater pollutant, major old dumpsites without landfill liners. The results of the groundwater flow directions and the corresponding contaminant transport were presented using expert geospatial software. The experimental results were subjected to four descriptive statistical analyses, namely: principal component analysis, Pearson correlation analysis, scree plot analysis, and Ward cluster analysis. Regression model was also developed aimed at finding functional relationships that can adequately relate or describe the behaviour of water qualities and the hypothetical factors landfill characteristics that may influence them namely; distance of source of water body from dumpsites, static water level of groundwater, subsurface permeability (inferred from hydraulic gradient), and soil infiltration. The regression equations developed were validated using the graphical approach. Underground water seems to flow from the northern portion of Ilorin metropolis down southwards transporting contaminants. Pollution pattern in the study area generally assumed a bimodal pattern with the major concentration of the chemical pollutants in the underground watershed and the recharge. The correlation between contaminant concentrations and the spread of pollution indicates that areas of lower subsurface permeability display a higher concentration of dissolved chemical content. The principal component analysis showed that conductivity, suspended solids, calcium hardness, total dissolved solids, total coliforms, and coliforms were the chief contaminant indicators in the underground water system in the study area. Pearson correlation revealed a high correlation of electrical conductivity for many parameters analyzed. In the same vein, the regression models suggest that the heavier the molecular weight of a chemical contaminant of a pollutant from a point source, the greater the pollution of the underground water system at a short distance. The study concludes that the associative properties of landfill have a significant effect on groundwater quality in the study area.

Keywords: dumpsite, leachate, groundwater pollution, linear regression, principal component

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1514 Preparation, Characterisation, and Measurement of the in vitro Cytotoxicity of Mesoporous Silica Nanoparticles Loaded with Cytotoxic Pt(II) Oxadiazoline Complexes

Authors: G. Wagner, R. Herrmann

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Cytotoxic platinum compounds play a major role in the chemotherapy of a large number of human cancers. However, due to the severe side effects for the patient and other problems associated with their use, there is a need for the development of more efficient drugs and new methods for their selective delivery to the tumours. One way to achieve the latter could be in the use of nanoparticular substrates that can adsorb or chemically bind the drug. In the cell, the drug is supposed to be slowly released, either by physical desorption or by dissolution of the particle framework. Ideally, the cytotoxic properties of the platinum drug unfold only then, in the cancer cell and over a longer period of time due to the gradual release. In this paper, we report on our first steps in this direction. The binding properties of a series of cytotoxic Pt(II) oxadiazoline compounds to mesoporous silica particles has been studied by NMR and UV/vis spectroscopy. High loadings were achieved when the Pt(II) compound was relatively polar, and has been dissolved in a relatively nonpolar solvent before the silica was added. Typically, 6-10 hours were required for complete equilibration, suggesting the adsorption did not only occur to the outer surface but also to the interior of the pores. The untreated and Pt(II) loaded particles were characterised by C, H, N combustion analysis, BET/BJH nitrogen sorption, electron microscopy (REM and TEM) and EDX. With the latter methods we were able to demonstrate the homogenous distribution of the Pt(II) compound on and in the silica particles, and no Pt(II) bulk precipitate had formed. The in vitro cytotoxicity in a human cancer cell line (HeLa) has been determined for one of the new platinum compounds adsorbed to mesoporous silica particles of different size, and compared with the corresponding compound in solution. The IC50 data are similar in all cases, suggesting that the release of the Pt(II) compound was relatively fast and possibly occurred before the particles reached the cells. Overall, the platinum drug is chemically stable on silica and retained its activity upon prolonged storage.

Keywords: cytotoxicity, mesoporous silica, nanoparticles, platinum compounds

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1513 Reconstruction of Holographic Dark Energy in Chameleon Brans-Dicke Cosmology

Authors: Surajit Chattopadhyay

Abstract:

Accelerated expansion of the current universe is well-established in the literature. Dark energy and modified gravity are two approaches to account for this accelerated expansion. In the present work, we consider scalar field models of dark energy, namely, tachyon and DBI essence in the framework of chameleon Brans-Dicke cosmology. The equation of state parameter is reconstructed and the subsequent cosmological implications are studied. We examined the stability for the obtained solutions of the crossing of the phantom divide under a quantum correction of massless conformally invariant fields and we have seen that quantum correction could be small when the phantom crossing occurs and the obtained solutions of the phantom crossing could be stable under the quantum correction. In the subsequent phase, we have established a correspondence between the NHDE model and the quintessence, the DBI-essence and the tachyon scalar field models in the framework of chameleon Brans–Dicke cosmology. We reconstruct the potentials and the dynamics for these three scalar field models we have considered. The reconstructed potentials are found to increase with the evolution of the universe and in a very late stage they are observed to decay.

Keywords: dark energy, holographic principle, modified gravity, reconstruction

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1512 Dynamic Mode Decomposition and Wake Flow Modelling of a Wind Turbine

Authors: Nor Mazlin Zahari, Lian Gan, Xuerui Mao

Abstract:

The power production in wind farms and the mechanical loads on the turbines are strongly impacted by the wake of the wind turbine. Thus, there is a need for understanding and modelling the turbine wake dynamic in the wind farm and the layout optimization. Having a good wake model is important in predicting plant performance and understanding fatigue loads. In this paper, the Dynamic Mode Decomposition (DMD) was applied to the simulation data generated by a Direct Numerical Simulation (DNS) of flow around a turbine, perturbed by upstream inflow noise. This technique is useful in analyzing the wake flow, to predict its future states and to reflect flow dynamics associated with the coherent structures behind wind turbine wake flow. DMD was employed to describe the dynamic of the flow around turbine from the DNS data. Since the DNS data comes with the unstructured meshes and non-uniform grid, the interpolation of each occurring within each element in the data to obtain an evenly spaced mesh was performed before the DMD was applied. DMD analyses were able to tell us characteristics of the travelling waves behind the turbine, e.g. the dominant helical flow structures and the corresponding frequencies. As the result, the dominant frequency will be detected, and the associated spatial structure will be identified. The dynamic mode which represented the coherent structure will be presented.

Keywords: coherent structure, Direct Numerical Simulation (DNS), dominant frequency, Dynamic Mode Decomposition (DMD)

Procedia PDF Downloads 342