Search results for: classical styles

Authors: Zyra Cheska Hidalgo, Joehiza Mae Renon, Kzarina Buen, Girlie Mitrado

Abstract:

ABSTRACT: The global coronavirus disease (COVID-19) has dramatically impacted the lives of many, including education and our economy. Thus, it presents a massive challenge for medical education as instructors are mandated to deliver their lectures virtually to ensure the continuity of the medical education process and ensure students' safety. The purpose of this research paper is to determine the lived experiences of paramedical students who are engaged in virtual hands-on learning and to determine the different coping strategies they used to deal with virtual hands-on learning. The researchers used the survey method of descriptive research design to determine the lived experiences and coping strategies of twenty (20) paramedical students from Lorma Colleges (particularly the College of Medicine Department). The data were collected through online questionnaires, particularly with the use of google forms. This study shows technical issues, difficulty in adapting styles, distractions and time management issues, mental and physical health issues, and lack of interest and motivation are the most common problems and challenges experienced by paramedical students. On the other hand, the coping strategies used by paramedical students to deal with those challenges include time management, engagement in leisure activities, acceptance of responsibilities, studying, and adapting. With the data gathered, the researchers concluded that virtual hands-on learning effectively increases the knowledge of paramedical students. However, teaching and learning barriers must have to be considered to implement virtual hands-on learning successfully.

Keywords: virtual hands-on learning, E-learning, paramedical students, medical education

Procedia PDF Downloads 131

Authors: Longqing Li

Abstract:

The paper addresses the inefficiency of the classical model in measuring the Value-at-Risk (VaR) using a normal distribution or a Student’s t distribution. Specifically, the paper focuses on the one day ahead Value-at-Risk (VaR) of major stock market’s daily returns in US, UK, China and Hong Kong in the most recent ten years under 95% confidence level. To improve the predictable power and search for the best performing model, the paper proposes using two leading alternatives, Extreme Value Theory (EVT) and a family of GARCH models, and compares the relative performance. The main contribution could be summarized in two aspects. First, the paper extends the GARCH family model by incorporating EGARCH and TGARCH to shed light on the difference between each in estimating one day ahead Value-at-Risk (VaR). Second, to account for the non-normality in the distribution of financial markets, the paper applies Generalized Error Distribution (GED), instead of the normal distribution, to govern the innovation term. A dynamic back-testing procedure is employed to assess the performance of each model, a family of GARCH and the conditional EVT. The conclusion is that Exponential GARCH yields the best estimate in out-of-sample one day ahead Value-at-Risk (VaR) forecasting. Moreover, the discrepancy of performance between the GARCH and the conditional EVT is indistinguishable.

Keywords: Value-at-Risk, Extreme Value Theory, conditional EVT, backtesting

Procedia PDF Downloads 321

Authors: Reem I. Al-Ya' Goub, Nasim Shatarat

Abstract:

This paper presents the results of analytical and comparative study among software programs' outputs in analysis of some two way solid slabs; flat plate, flat slab with beams and flat slab with drop panels problems that already been analyzed using Classical Equivalent Frame Method (CEFM) by several reinforced concrete book authors. The primary objective of this research is to determine the moment results using various software programs. Then, a summary of the results and differences percentages were obtained to show how analysis procedure effects the outputs of calculations that vary from software program to another when comparing them with the results of CEFM. Moment values were obtained using either the Equivalent Frame Method (EFM) or Finite Element Method (FEM) that's used among many software programs. The results of the analyses demonstrate that software programs vary markedly in terms of the information they provide to the structural designer regarding values of the model insertion, stiffness, effective moment of inertia used and specially the moment values.

Keywords: two-way solid slabs, flat plate, flat slab with beams, flat slab with drop panels, analysis, modeling, EFM, CEFM, FEM

Procedia PDF Downloads 411

Authors: Nugraheni Widianingtyas, Niko Albert Setiawan

Abstract:

For ELESP Teachers’ College, teaching learning strategies such as presentation and group discussion are classical ones to be implemented in the class. In order to create a breakthrough which can bring about more positive advancements in the learning process, a Focus Group Discussion (FGD) is being offered and implemented in certain classes. Interestingly, FGD is frequently used in the social-business inquiries such as for recruiting employees. It is then interesting to investigate FGD when it is implemented in the educational scope, especially in the Sociolinguistics class which regarded as one of the most arduous subjects in this study program. Thus, this study focused on how FGD enhances students Sociolinguistics mastery. In response to that, a quantitative survey research was conducted in which observation, questionnaire, and interview (triangulation method) became the instruments. The respondents of this study were 29 sixth-semester students who take Sociolinguistics of ELESP, Sanata Dharma University in 2017. The findings indicated that FGD could help students in enhancing Sociolinguistics mastery. In addition, it also revealed that FGD was exploring students’ logical thinking, English communication skill, and decision-making.

Keywords: focus group discussion, material mastery, sociolinguistics, teaching strategy

Procedia PDF Downloads 207

Authors: B. Karabuluter, O. Karaduman

Abstract:

Connected-Vehicles consists of intelligent vehicles, each of which can communicate with each other. Smart Cities are the most prominent application area of intelligent vehicles that can communicate with each other. The most important goal that is desired to be realized in Smart Cities planned for facilitating people's lives is to make transportation more comfortable and safe with intelligent/autonomous/driverless vehicles communicating with each other. In order to ensure these, the city must have communication infrastructure in the first place, and the vehicles must have the features to communicate with this infrastructure and with each other. In this context, intelligent transport studies to solve all transportation and traffic problems in classical cities continue to increase rapidly. In this study, current connected-vehicle applications developed for smart cities are considered in terms of communication techniques, vehicular networking, IoT, urban transportation implementations, intelligent traffic management, road safety, self driving. Taxonomies and assessments performed in the work show the trend of studies in inter-vehicle communication systems in smart cities and they are contributing to by ensuring that the requirements in this area are revealed.

Keywords: smart city, connected vehicles, infrastructures, VANET, wireless communication, intelligent traffic management

Procedia PDF Downloads 526

Authors: Tobias Horstmann, Thomas Le Garrec, Daniel-Ciprian Mincu, Emmanuel Lévêque

Abstract:

Despite the efficiency and low dissipation of the stream-collide formulation of the Lattice Boltzmann (LB) algorithm, which is nowadays implemented in many commercial LBM solvers, there are certain situations, e.g. mesh transition, in which a classical finite-volume or finite-difference formulation of the LB algorithm still bear advantages. In this paper, we present an algorithm that combines the node-based streaming of the distribution functions with a second-order finite volume discretization of the advection term of the BGK-LB equation on a uniform D2Q9 lattice. It is shown that such a coupling is possible for a multi-domain approach as long as the overlap, or buffer zone, between two domains, is achieved on at least 2Δx. This also implies that a direct coupling (without buffer zone) of a stream-collide and finite-volume LB algorithm on a single grid is not stable. The critical parameter in the coupling is the CFL number equal to 1 that is imposed by the stream-collide algorithm. Nevertheless, an explicit filtering step on the finite-volume domain can stabilize the solution. In a further investigation, we demonstrate how such a coupling can be used for mesh transition, resulting in an intrinsic conservation of mass over the interface.

Keywords: algorithm coupling, finite volume formulation, grid refinement, Lattice Boltzmann method

Procedia PDF Downloads 379

Authors: Albert Bou, Sebastian Dittert, Gianni de Fabritiis

Abstract:

Advancing reinforcement learning (RL) requires tools that are flexible enough to easily prototype new methods while avoiding impractically slow experimental turnaround times. To match the first requirement, the most popular RL libraries advocate for highly modular agent composability, which facilitates experimentation and development. To solve challenging environments within reasonable time frames, scaling RL to large sampling and computing resources has proved a successful strategy. However, this capability has been so far difficult to combine with modularity. In this work, we explore design choices to allow agent composability both at a local and distributed level of execution. We propose a versatile approach that allows the definition of RL agents at different scales through independent, reusable components. We demonstrate experimentally that our design choices allow us to reproduce classical benchmarks, explore multiple distributed architectures, and solve novel and complex environments while giving full control to the user in the agent definition and training scheme definition. We believe this work can provide useful insights to the next generation of RL libraries.

Keywords: deep reinforcement learning, Python, PyTorch, distributed training, modularity, library

Procedia PDF Downloads 83

Authors: E. Benga, T. Tengen, A. Alugongo

Abstract:

Periodic and continuous inventory models are the two classical management tools used to handle inventories. These models have advantages and disadvantages. The implementation of both continuous (r,Q) inventory and periodic (R, S) inventory models in most manufacturing plants comes with higher cost. Such high inventory costs are due to the fact that most manufacturing plants are not flexible enough. Since demand and lead-time are two important variables of every inventory models, their effect on the flexibility of the manufacturing plant matter most. Unfortunately, these effects are not clearly understood by managers. The reason is that the decision parameters of the continuous (r, Q) inventory and periodic (R, S) inventory models are not designed to effectively deal with the issues of uncertainties such as poor manufacturing performances, delivery performance supplies performances. There is, therefore, a need to come up with a predictive and hybrid inventory model that can combine in some sense the feature of the aforementioned inventory models. A linear combination technique is used to hybridize both continuous (r, Q) inventory and periodic (R, S) inventory models. The behavior of such hybrid inventory model is described by a differential equation and then optimized. From the results obtained after simulation, the continuous (r, Q) inventory model is more effective than the periodic (R, S) inventory models in the short run, but this difference changes as time goes by. Because the hybrid inventory model is more cost effective than the continuous (r,Q) inventory and periodic (R, S) inventory models in long run, it should be implemented for strategic decisions.

Keywords: periodic inventory, continuous inventory, hybrid inventory, optimization, manufacturing plant

Procedia PDF Downloads 382

Authors: Mehdi Nematimoez

Abstract:

Head posture is paramount to retaining gaze and balance in many activities; its control is thus important in many activities. However, little information is available about the effects of head movement restriction on other spine segment kinematics and movement patterns during lifting and lowering tasks. The aim of this study was to examine the effects of head movement restriction on relative angles and their derivatives using the stepwise segmentation approach during lifting and lowering tasks. Ten healthy men lifted and lowered a box using two styles (stoop and squat), with two loads (i.e., 10 and 20% of body weight); they performed these tasks with two instructed head postures (1. Flexing the neck to keep contact between chin and chest over the task cycle; 2. No instruction, free head posture). The spine was divided into five segments, tracked by six cluster markers (C7, T3, T6, T9, T12, and L5). Relative angles between spine segments and their derivatives (first and second) were analyzed by a stepwise segmentation approach to consider the effect of each segment on the whole spine. Accordingly, head posture significantly affected the derivatives of the relative angles and manifested latency in spine segments movement, i.e., cephalad-to-caudad or caudad-to-cephalad patterns. The relative angles for C7-T3 and T3-T6 increased over the cycle of all lifting and lowering tasks; nevertheless, in lower segments increased significantly when the spine moved into upright standing. However, these effects were clearer during lifting than lowering. Conclusively, the neck flexion can unevenly increase the flexion angles of spine segments from cervical to lumbar over lifting and lowering tasks; furthermore, stepwise segmentation reveals potential for assessing the segmental contribution in spine ROM and movement patterns.

Keywords: head movement restriction, spine kinematics, lifting, lowering, stepwise segmentation

Procedia PDF Downloads 244

Authors: Annabel Burnley, Michelle St. Clair, Charlotte Dack, Yvonne Wren

Abstract:

Children with Developmental Language Disorder (DLD) are well documented to experience social and emotional difficulties. Despite this, there is little consensus as to how these difficulties manifest, without which the ability to develop prevention initiatives is limited. An online survey was completed by 107 parents of either child with DLD (‘DLD sample’; n=57), or typically developing children (‘typical sample’; n=50), all aged 6-12 years old. Psychosocial symptom measures were used, alongside 11 psychosocial statements generated from previous qualitative work. Qualitative interviews were then held to understand the manifestation of key difficulties in more depth (n=4). The DLD sample scored significantly higher on all psychosocial statements than the typical sample. Experiencing anxiety (80.7%), requiring routine and sameness (75.4%) and struggling to regulate their emotions (75.4%) were the most common difficulties for a majority of children with DLD. For this DLD sample, family communication and coping styles were found not to contribute to the manifestation of these difficulties. Two separate mediation models were run to understand the role of other psychosocial difficulties in the manifestation of (1) anxiety and (2) social frustration. ‘Intolerance of uncertainty was found to strongly mediate the relationship between DLD diagnosis and symptoms of anxiety. Emotion regulation was found to moderately mediate the relationship between DLD diagnosis and social frustration. Parents appear to cope well with their children’s complex psychosocial needs, but further external intervention is needed. Intervention focussing on intolerance of uncertainty and emotion dysregulation may help the management of anxiety and social frustration. Further research is needed to understand the children’s routined behaviors.

Keywords: psychosocial difficulties, developmental language disorder, specific language impairment, parent, anxiety

Procedia PDF Downloads 112

Authors: Rosita Kanapeckaite

Abstract:

The modern operational military environment is a combination of factors such as change, uncertainty, complexity and ambiguity. Stiehm (2002) refers to such situations as VUCA situations. VUCA is an acronym commonly used to describe the volatility, uncertainty, complexity and ambiguity of various situations and conditions. Increasingly fast-paced military operations require military personnel to demonstrate readiness and resilience under stressful conditions in order to maintain the optimum cognitive and physical performance necessary to achieve success. Military resilience can be defined as the ability to cope with the negative effects of setbacks and associated stress on military performance and combat effectiveness. In the volatile, uncertain, complex and ambiguous modern operational environment, both current and future operations require and place a higher priority on enhancing and maintaining troop readiness and resilience to win decisively in multidimensional combat. This paper explores the phenomenon of soldiers' psychological resilience, theories of leadership, and commitment to the organisation. The aim of the study is to examine the relationship between soldiers' psychological resilience, leadership style and commitment to the organisation. The study involved 425 professional soldiers, the research method was a questionnaire survey. The instruments used were measures of psychological resilience, leadership styles and commitment to the organisation. Results: transformational leadership style predicts higher psychological resilience, and psychologically resilient professional servicemen are more committed to the organisation. The study confirms the importance of soldiers' psychological resilience for their commitment to the organisation. The paper also discusses practical applications.

Keywords: resilience, commitment, solders, leadership style

Procedia PDF Downloads 74

Authors: Raghavi Janaswamy, Saraswathi K. Vasudev

Abstract:

Music is one of the supreme arts of expressions, next to the speech itself. Its evolution over centuries has paved the way with a variety of training protocols and performing methods. Indian classical music is one of the most elaborate and refined systems with immense emphasis on the voice culture related to range, breath control, quality of the tone, flexibility and diction. Several exercises namely saraliswaram, jantaswaram, dhatuswaram, upper stayi swaram, alamkaras and varnams lay the required foundation to gain the voice culture and deeper understanding on the voice development and further on to the intricacies of the raga system. This article narrates a few of the Carnatic music training methods with an emphasis on the advanced practice methods for articulating the vocal skills, continuity in the voice, ability to produce gamakams, command in the multiple speeds of rendering with reasonable volume. The creativity on these exercises and their impact on the voice production are discussed. The articulation of the outlined conscious practice methods and vocal exercises bestow the optimum use of the natural human vocal system to not only enhance the signing quality but also to gain health benefits.

Keywords: Carnatic music, Saraliswaram, Varnam, vocal training

Procedia PDF Downloads 177

Authors: Ekrem Erdem, Can Tansel Tugcu

Abstract:

Improved resource efficiency of production is a key requirement for sustainable growth, worldwide. In this regards, by considering the energy and tourism as the extra inputs to the classical Coub-Douglas production function, this study aims at investigating the efficiency changes in the North African countries. To this end, the study uses panel data for the period 1995-2010 and adopts the Malmquist index based on the data envelopment analysis. Results show that tourism increases technical and scale efficiencies, while it decreases technological and total factor productivity changes. On the other hand, when the production function is augmented by the energy input, technical efficiency change decreases, while the technological change, scale efficiency change and total factor productivity change increase. Thus, in order to satisfy the needs for sustainable growth, North African governments should take some measures for increasing the contribution that the tourism makes to economic growth and some others for efficient use of resources in the energy sector.

Keywords: data envelopment analysis, economic efficiency, North African countries, sustainable growth

Procedia PDF Downloads 343

Authors: Ran Etgar, Sarit Freund

Abstract:

Agile project management (APM) has been developed originally for software development project. Construction projects seemed to be more apt to traditional water-fall approach than to APM. However, Construction project suffers from similar problems that necessitated the invention of APM, mainly the need to break down the project structure to small increments, thus minimizing the needed managerial planning and design. Since the classical structure of APM is not applicable the way it is to construction project, a modified version of APM was devised. This method, nicknamed 'The anchor method', exploits the fundamentals of APM (i.e., iterations, or sprints of short time frames or timeboxes, cross-functional teams, risk reduction and adaptation to changes) and adjust them to the construction world. The projects had to be structured appropriately to proactively and quickly adapt to change. The method aims to encompass human behavior and lean towards adaptivity rather than predictability. To enable smooth application of the method, a special project management software was developed, so as to provide solid administrational help and accurate data. The method is tested on a bunch of construction projects and some key performance indicators (KPIs) are collected. According to preliminary results the method is indeed very advantageous and with proper assimilation can radically change the construction project management paradigm.

Keywords: agile project management, construction, information systems, project management

Procedia PDF Downloads 130

Authors: Prathmesh Vikas Patil, Yashaswini Lomte Patil

Abstract:

Laminated composite materials have considerable attention in various engineering applications due to their exceptional strength-to-weight ratio and mechanical properties. The analysis of laminated composite plates in three-dimensional (3D) elasticity is a complex problem, as it requires accounting for the orthotropic anisotropic nature of the material and the interactions between multiple layers. Conventional approaches, such as the classical plate theory, provide simplified solutions but are limited in performing exact analysis of the plate. To address such a challenge, the state space method emerges as a powerful numerical technique for modeling the behavior of laminated composites in 3D. The state-space method involves transforming the governing equations of elasticity into a state-space representation, enabling the analysis of complex structural systems in a systematic manner. Here, an effort is made to perform a 3D elasticity analysis of plates with cross-ply and angle-ply laminates using the state space approach. The state space approach is used in this study as it is a mixed formulation technique that gives the displacements and stresses simultaneously with the same level of accuracy.

Keywords: cross ply laminates, angle ply laminates, state space method, three-dimensional elasticity analysis

Procedia PDF Downloads 111

Authors: Nan-Ting Yu, Boksun Kim, Long-Yuan Li

Abstract:

The cold-formed steel beams with web holes are widely used as the load-carrying members in structural engineering. The perforations can release the space of the building and let the pipes go through. However, the perforated cold-formed steel (PCFS) beams may fail by distortional buckling more easily than beams with plain web; this is because the rotational stiffness from the web decreases. It is well known that the distortional buckling can be described as the buckling of the compressed flange-lip system. In fact, near the ultimate failure, the flange/web corner would move laterally, which indicates the bending of the web should be taken account. The purpose of this study is to give a specific solution for the critical stress of flange/web distortional buckling of PCFS beams. The new model is deduced based on classical energy method, and the deflection of the web is represented by the shape function of the plane beam element. The finite element analyses have been performed to validate the accuracy of the proposed model. The comparison of the critical stress calculated from Hancock's model, FEA, and present model, shows that the present model can provide a splendid prediction for the flange/web distortional buckling of PCFS beams.

Keywords: cold-formed steel, beams, perforations, flange-web distortional buckling, finite element analysis

Procedia PDF Downloads 130

Authors: Marzieh Imani

Abstract:

Antoni Gaudi and Santiago Calatrava have reputation for designing bio-inspired creative and technical buildings. Even though they have followed different independent approaches towards design, the source of bio-inspiration seems to be common. Taking a closer look at their projects reveals that Calatrava has been influenced by Gaudi in terms of interpreting nature and applying natural principles into the design process. This research firstly discusses the dialogue between Biomimicry and architecture. This review also explores human/nature discourse during the history by focusing on how nature revealed itself to the fine arts. This is explained by introducing naturalism and romantic style in architecture as the outcome of designers’ inclination towards nature. Reviewing the literature, theoretical background and practical illustration of nature have been included. The most dominant practical aspects of imitating nature are form and function. Nature has been reflected in architectural science resulted in shaping different architectural styles such as organic, green, sustainable, bionic, and biomorphic. By defining a set of common aspects of Gaudi and Calatrava‘s design approach and by considering biomimetic design categories (organism, ecosystem, and behaviour as the main division and form, function, process, material, and construction as subdivisions), Gaudi’s and Calatrava’s project have been analysed. This analysis explores if their design approaches are equivalent or different. Based on this analysis, Gaudi’s architecture can be recognised as biomorphic while Calatrava’s projects are literally biomimetic. Referring to these architects, this review suggests a new set of principles by which a bio-inspired project can be determined either biomorphic or biomimetic.

Keywords: biomimicry, Calatrava, Gaudi, nature

Procedia PDF Downloads 288

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 PDF Downloads 387

Authors: Michael Shulman, Paige North, Benedikt Ahrens, Dmitris Tsementzis

Abstract:

The Univalence Principle is the statement that equivalent mathematical structures are indistinguishable. We prove a general version of this principle that applies to all set-based, categorical, and higher-categorical structures defined in a non-algebraic and space-based style, as well as models of higher-order theories such as topological spaces. In particular, we formulate a general definition of indiscernibility for objects of any such structure, and a corresponding univalence condition that generalizes Rezk’s completeness condition for Segal spaces and ensures that all equivalences of structures are levelwise equivalences. Our work builds on Makkai’s First-Order Logic with Dependent Sorts, but is expressed in Voevodsky’s Univalent Foundations (UF), extending previous work on the Structure Identity Principle and univalent categories in UF. This enables indistinguishability to be expressed simply as identification, and yields a formal theory that is interpretable in classical homotopy theory, but also in other higher topos models. It follows that Univalent Foundations is a fully equivalence-invariant foundation for higher-categorical mathematics, as intended by Voevodsky.

Keywords: category theory, higher structures, inverse category, univalence

Procedia PDF Downloads 151

Authors: D. M. Eric, D. Milosevic, F. D. Eric

Abstract:

Concurrent engineering technologies are a modern concept in manufacturing engineering. One of the key goals in designing modern technological processes is further reduction of production costs, both in the prototype and the preparatory part, as well as during the serial production. Thanks to many segments of concurrent engineering, these goals can be accomplished much more easily. In this paper, we give an overview of the advantages of using modern software simulations in relation to the classical aspects of designing technological processes of metal deformation. Significant savings are achieved thanks to the electronic simulation and software detection of all possible irregularities in the functional-working regime of the technological process. In order for the expected results to be optimal, it is necessary that the input parameters are very objective and that they reliably represent the values ​of these parameters in real conditions. Since it is a metal deformation treatment here, the particularly important parameters are the coefficient of internal friction between the working material and the tools, as well as the parameters related to the flow curve of the processing material. The paper will give a presentation for the experimental determination of some of these parameters.

Keywords: production technologies, metal processing, software simulations, effects of application

Procedia PDF Downloads 235

Authors: Sundaram Arulmozhiraja, Kanade Shimizu, Yuta Yamamoto, Satoshi Ichikawa, Maenaka Katsumi, Hiroaki Tokiwa

Abstract:

Drug discovery is shifting from small molecule based drugs targeting local active site to middle molecules (MM) targeting large, flat, and groove-shaped binding sites, for example, protein-protein interface because at least half of all targets assumed to be involved in human disease have been classified as “difficult to drug” with traditional small molecules. Hence, MMs such as peptides, natural products, glycans, nucleic acids with various high potent bioactivities become important targets for drug discovery programs in the recent years as they could be used for ‘undruggable” intracellular targets. Cell membrane permeability is one of the key properties of pharmacodynamically active MM drug compounds and so evaluating this property for the potential MMs is crucial. Computational prediction for cell membrane permeability of molecules is very challenging; however, recent advancement in the molecular dynamics simulations help to solve this issue partially. It is expected that MMs with high membrane permeability will enable drug discovery research to expand its borders towards intracellular targets. Further to understand the chemistry behind the permeability of MMs, it is necessary to investigate their conformational changes during the permeation through membrane and for that their interactions with the membrane field should be studied reliably because these interactions involve various non-bonding interactions such as hydrogen bonding, -stacking, charge-transfer, polarization dispersion, and non-classical weak hydrogen bonding. Therefore, parameters-based classical mechanics calculations are hardly sufficient to investigate these interactions rather, quantum mechanical (QM) calculations are essential. Fragment molecular orbital (FMO) method could be used for such purpose as it performs ab initio QM calculations by dividing the system into fragments. The present work is aimed to study the cell permeability of middle molecules using molecular dynamics simulations and FMO-QM calculations. For this purpose, a natural compound syringolin and its analogues were considered in this study. Molecular simulations were performed using NAMD and Gromacs programs with CHARMM force field. FMO calculations were performed using the PAICS program at the correlated Resolution-of-Identity second-order Moller Plesset (RI-MP2) level with the cc-pVDZ basis set. The simulations clearly show that while syringolin could not permeate the membrane, its selected analogues go through the medium in nano second scale. These correlates well with the existing experimental evidences that these syringolin analogues are membrane-permeable compounds. Further analyses indicate that intramolecular -stacking interactions in the syringolin analogues influenced their permeability positively. These intramolecular interactions reduce the polarity of these analogues so that they could permeate the lipophilic cell membrane. Conclusively, the cell membrane permeability of various middle molecules with potent bioactivities is efficiently studied using molecular dynamics simulations. Insight of this behavior is thoroughly investigated using FMO-QM calculations. Results obtained in the present study indicate that non-bonding intramolecular interactions such as hydrogen-bonding and -stacking along with the conformational flexibility of MMs are essential for amicable membrane permeation. These results are interesting and are nice example for this theoretical calculation approach that could be used to study the permeability of other middle molecules. This work was supported by Japan Agency for Medical Research and Development (AMED) under Grant Number 18ae0101047.

Keywords: fragment molecular orbital theory, membrane permeability, middle molecules, molecular dynamics simulation

Procedia PDF Downloads 189

Authors: Seyyed Feisal Asbaghian Namin, Reza Pilafkan, Mahmood Kaffash Irzarahimi

Abstract:

TThis paper considers vibration of single-layered graphene sheets using molecular dynamics (MD) and nonlocal elasticity theory. Based on the MD simulations, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS), an open source software, is used to obtain fundamental frequencies. On the other hand, governing equations are derived using nonlocal elasticity and first order shear deformation theory (FSDT) and solved using generalized differential quadrature method (GDQ). The small-scale effect is applied in governing equations of motion by nonlocal parameter. The effect of different side lengths, boundary conditions and nonlocal parameter are inspected for aforementioned methods. Results are obtained from MD simulations is compared with those of the nonlocal elasticity theory to calculate appropriate values for the nonlocal parameter. The nonlocal parameter value is suggested for graphene sheets with various boundary conditions. Furthermore, it is shown that the nonlocal elasticity approach using classical plate theory (CLPT) assumptions overestimates the natural frequencies.

Keywords: graphene sheets, molecular dynamics simulations, fundamental frequencies, nonlocal elasticity theory, nonlocal parameter

Procedia PDF Downloads 521

Authors: Yingjie Zhang, Ming Li, Ying Zhang, Jing Zhang, Zuolei Hu

Abstract:

In the actual start-up process of DC motors, the DC drive system often faces a conflict between energy consumption and acceleration performance. To resolve the conflict, this paper proposes a comprehensive performance index that energy consumption index is added on the basis of classical control performance index in the DC motor starting process. Taking the comprehensive performance index as the cost function, particle swarm optimization algorithm is designed to optimize the comprehensive performance. Then it conducts simulations on the optimization of the comprehensive performance of the DC motor on condition that the weight coefficient of the energy consumption index should be properly designed. The simulation results show that as the weight of energy consumption increased, the energy efficiency was significantly improved at the expense of a slight sacrifice of fastness indicators with the comprehensive performance index method. The energy efficiency was increased from 63.18% to 68.48% and the response time reduced from 0.2875s to 0.1736s simultaneously compared with traditional proportion integrals differential controller in energy saving.

Keywords: comprehensive performance index, energy consumption, acceleration performance, particle swarm optimal control

Procedia PDF Downloads 163

Authors: Alaa El-Din Rezk

Abstract:

For organic xenobiotics, sorption to Aldrich humic acid is a key process controlling their mobility, bioavailability, toxicity and fate in the soil. Hydrophobic organic compounds possessing either acid or basic groups can be partially ionized (deprotonated or protonated) within the range of natural soil pH. For neutral and ionogenicxenobiotics including (neutral, acids and bases) sorption coefficients normalized to organic carbon content, Koc, have measured at different pH values. To this end, the batch equilibrium technique has been used, employing SPME combined with GC-MSD as an analytical tool. For most ionogenic compounds, sorption has been affected by both pH and pKa and can be explained through Henderson-Hasselbalch equation. The results demonstrate that when assessing the environmental fate of ionogenic compounds, their pKa and speciation under natural conditions should be taken into account. A new model has developed to predict the relationship between log Koc and pH with full statistical evaluation against other existing predictive models. Neutral solutes have displayed a good fit with the classical model using log Kow as log Koc predictor, whereas acidic and basic compounds have displayed a good fit with the LSER approach and the new proposed model. Measurement limitations of the Batch technique and SPME-GC-MSD have been found with ionic compounds.

Keywords: humic acid, log Koc, pH, pKa, SPME-GCMSD

Procedia PDF Downloads 263

Authors: Asma Ben Yaghlane, Mohamed Naceur Azaiez

Abstract:

We consider the problem of attacks on networks. We define the concept of system survivability in networks in the presence of intelligent threats. Our setting of the problem assumes a flow to be sent from one source node to a destination node. The attacker attempts to disable the network by preventing the flow to reach its destination while the defender attempts to identify the best path-set to use to maximize the chance of arrival of the flow to the destination node. Our concept is shown to be different from the classical concept of network reliability. We distinguish two types of network survivability related to the defender and to the attacker of the network, respectively. We prove that the defender-based-network survivability plays the role of a lower bound while the attacker-based-network survivability plays the role of an upper bound of network reliability. We also prove that both concepts almost never agree nor coincide with network reliability. Moreover, we use the shortest-path problem to determine the defender-based-network survivability and the min-cut problem to determine the attacker-based-network survivability. We extend the problem to a variety of models including the minimum-spanning-tree problem and the multiple source-/destination-network problems.

Keywords: defense/attack strategies, information, networks, reliability, survivability

Procedia PDF Downloads 393

Authors: Basiliyos Tilahun Betru, Charles Awono Onana, Bernabe Batchakui

Abstract:

Recommender systems have become increasingly popular in recent years, and are utilized in numerous areas. Nowadays many web services provide several information for users and recommender systems have been developed as critical element of these web applications to predict choice of preference and provide significant recommendations. With the help of the advantage of deep learning in modeling different types of data and due to the dynamic change of user preference, building a deep model can better understand users demand and further improve quality of recommendation. In this paper, deep neural network models for recommender system are evaluated. Most of deep neural network models in recommender system focus on the classical collaborative filtering user-item setting. Deep learning models demonstrated high level features of complex data can be learned instead of using metadata which can significantly improve accuracy of recommendation. Even though deep learning poses a great impact in various areas, applying the model to a recommender system have not been fully exploited and still a lot of improvements can be done both in collaborative and content-based approach while considering different contextual factors.

Keywords: big data, decision making, deep learning, recommender system

Procedia PDF Downloads 478

Authors: Ugo Galvanetto, Pirto G. Pavan, Mirco Zaccariotto

Abstract:

The discipline of Computer-integrated surgery (CIS) will provide equipment able to improve the efficiency of healthcare systems and, which is more important, clinical results. Surgeons and machines will cooperate in new ways that will extend surgeons’ ability to train, plan and carry out surgery. Patient specific CIS of the brain requires several steps: 1 - Fast generation of brain models. Based on image recognition of MR images and equipped with artificial intelligence, image recognition techniques should differentiate among all brain tissues and segment them. After that, automatic mesh generation should create the mathematical model of the brain in which the various tissues (white matter, grey matter, cerebrospinal fluid …) are clearly located in the correct positions. 2 – Reliable and fast simulation of the surgical process. Computational mechanics will be the crucial aspect of the entire procedure. New algorithms will be used to simulate the mechanical behaviour of cutting through cerebral tissues. 3 – Real time provision of visual and haptic feedback A sophisticated human-machine interface based on ergonomics and psychology will provide the feedback to the surgeon. The present work will address in particular point 2. Modelling the cutting of soft tissue in a structure as complex as the human brain is an extremely challenging problem in computational mechanics. The finite element method (FEM), that accurately represents complex geometries and accounts for material and geometrical nonlinearities, is the most used computational tool to simulate the mechanical response of soft tissues. However, the main drawback of FEM lies in the mechanics theory on which it is based, classical continuum Mechanics, which assumes matter is a continuum with no discontinuity. FEM must resort to complex tools such as pre-defined cohesive zones, external phase-field variables, and demanding remeshing techniques to include discontinuities. However, all approaches to equip FEM computational methods with the capability to describe material separation, such as interface elements with cohesive zone models, X-FEM, element erosion, phase-field, have some drawbacks that make them unsuitable for surgery simulation. Interface elements require a-priori knowledge of crack paths. The use of XFEM in 3D is cumbersome. Element erosion does not conserve mass. The Phase Field approach adopts a diffusive crack model instead of describing true tissue separation typical of surgical procedures. Modelling discontinuities, so difficult when using computational approaches based on classical continuum Mechanics, is instead easy for novel computational methods based on Peridynamics (PD). PD is a non-local theory of mechanics formulated with no use of spatial derivatives. Its governing equations are valid at points or surfaces of discontinuity, and it is, therefore especially suited to describe crack propagation and fragmentation problems. Moreover, PD does not require any criterium to decide the direction of crack propagation or the conditions for crack branching or coalescence; in the PD-based computational methods, cracks develop spontaneously in the way which is the most convenient from an energy point of view. Therefore, in PD computational methods, crack propagation in 3D is as easy as it is in 2D, with a remarkable advantage with respect to all other computational techniques.

Keywords: computational mechanics, peridynamics, finite element, biomechanics

Procedia PDF Downloads 80

Authors: Harim Mohsin, Afshan Channa, Beena Saad

Abstract:

The Kocher Debre Semelaigne Syndrome (KDSS) is known as cretinism muscular hypertrophy. It is an unusual presentation in intellectually deficit children, commonly associated with congenital or iatrogenic hypothyroidism. The creatinine phosphokinase (CPK) is usually elevated and it’s commonly found in males, consanguineous marriage and ages 18 months to 10 years. It might be misdiagnosed without the classical features of hypothyroidism at first presentation. We present a case of 15 year old intellectually deficit female with epilepsy managed on phenytoin. She had rigidity, myxedema, calf muscle hypertrophy and agitation. The patient was managed as Neuroleptic Malignant Syndrome due to raised CPK of 40,680 IU/L and mixed presentation. Nevertheless, no improvement was noticed and thyroid profile was done to exclude alternative resources. Thyroid stimulating hormone (TSH) was 74.5 IU, Free T3 1.22 ng/dl, and Free T4 0.43 ng/dl. Thyroxine was started along with change in antiepileptic leading to recovery. This case report highlights the inconsistent finding of KDSS. The female gender, non-consanguineous marriage, delayed onset with primarily neuromuscular symptoms, and raised CPK is a rare demonstration in KDSS. Additionally, thyroid profile is not routinely done, which can lead to misdiagnosis and mismanagement.

Keywords: cretinism, hypothyroidism, intellectual deficit, KDSS

Procedia PDF Downloads 375

Authors: S. O. Okoro

Abstract:

Some words become the catch phrase of a particular decade. Globalization, Openness, and Privatization are certainly among the most frequently encapsulation of 1990’s; the market is ‘in’, ‘the state is out’. In the 1970’s, there were many political economists who spoke of autarky as one possible response to global economic forces. Be self-contained, go it alone, put up barriers to trans-nationalities, put in place import-substitution industrialization policy and grow domestic industries. In 1990’s, the emasculation of the state is by no means complete, but there is an acceptance that the state’s power is circumscribed by forces beyond its control and potential leverage. Autarky is no longer as a policy option. Nigeria, since its emergence as an independent nation, has evolved two macroeconomic management regimes of the interventionist and market friendly styles. This paper investigates Nigeria’s growth performance over the periods incorporating these two regimes and finds that there is no structural break in Total Factor Productivity, (TFP) growth and besides, the TFP growth over the entire period of study 1970-2012 is very negligible and hence growth can only be achieved by the unsustainable factor accumulation. Another important finding of this work is that the openness-human capital interaction term has a significant impact on the TFP growth, but the sign of the estimated coefficient does not meet it a theoretical expectation. This is because the negative coefficient on the human capital outweighs the positive openness effect. The poor quality of human capital is considered to have given rise to this. Given these results a massive investment in the education sector is required. The investment should be targeted at reforms that go beyond mere structural reforms to a reform agenda that will improve the quality of human capital in Nigeria.

Keywords: globalization, emasculation, openness and privatization, total factor productivity

Procedia PDF Downloads 242

Authors: Elizabeth Bourgeois

Abstract:

During social distancing, fashion and self-expression have been pushed further into virtual environments. In VR spaces, identities can be curated easily, untethered from the necessities of life and work. Personal styles reach a wider audience and follow new rules. Digital platforms leave some, but not all, 'real world' clothing constraints behind. Virtual aesthetics are set by the user and the software. Gen Z is a native user, applying face filters on Instagram and Snapchat and styling outfits and skins in apps like Gacha Life, Roblox, and Fortnite. These games cultivate space for community and personal style. Loosely tied to human forms, each app has physical aesthetics, with clear vernacular dress defining it. There are ecosystems of makers, consumers, and critics. Designer-modelers create original assets, brands, and luxury items. Fashion and beauty are ephemeral but always reflect the idealization of form and self. Online communities have already established new beauty ideals that impact live fashion trends. Fashion houses develop AR filters, gaming hairstyles challenge real-world colorists, and musicians perform virtual concerts in their avatar forms. In these times, social media and gaming communities promote the expression of public identity. The online dress is no longer tied to 'real' bodies or cloth. In virtual worlds, there are still tribes, status symbols, gender identities, and roles, but free of fabric, form, and static social structure, there is room for fantastic invention.

Keywords: virtual reality, fashion, Gen Z, social media, gaming

Procedia PDF Downloads 135