Search results for: Molecular dynamics simulation

Authors: D. Triantakonstantis, D. Stathakis

Abstract:

Urban areas have been expanded throughout the globe. Monitoring and modelling urban growth have become a necessity for a sustainable urban planning and decision making. Urban prediction models are important tools for analyzing the causes and consequences of urban land use dynamics. The objective of this research paper is to analyze and model the urban change, which has been occurred from 1990 to 2000 using CORINE land cover maps. The model was developed using drivers of urban changes (such as road distance, slope, etc.) under an Artificial Neural Network modelling approach. Validation was achieved using a prediction map for 2006 which was compared with a real map of Urban Atlas of 2006. The accuracy produced a Kappa index of agreement of 0,639 and a value of Cramer's V of 0,648. These encouraging results indicate the importance of the developed urban growth prediction model which using a set of available common biophysical drivers could serve as a management tool for the assessment of urban change.

Keywords: Artificial Neural Networks, CORINE, Urban Atlas, Urban Growth Prediction.

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Authors: Sergio Pissanetzky

Abstract:

The ability of the brain to organize information and generate the functional structures we use to act, think and communicate, is a common and easily observable natural phenomenon. In object-oriented analysis, these structures are represented by objects. Objects have been extensively studied and documented, but the process that creates them is not understood. In this work, a new class of discrete, deterministic, dissipative, host-guest dynamical systems is introduced. The new systems have extraordinary self-organizing properties. They can host information representing other physical systems and generate the same functional structures as the brain does. A simple mathematical model is proposed. The new systems are easy to simulate by computer, and measurements needed to confirm the assumptions are abundant and readily available. Experimental results presented here confirm the findings. Applications are many, but among the most immediate are object-oriented engineering, image and voice recognition, search engines, and Neuroscience.

Keywords: AI, artificial intelligence, complex system, object oriented, OO, refactoring.

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Authors: Sri Raman A., A.K.Ghosh

Abstract:

At very high speeds, bubbles form in the underwater vehicles because of sharp trailing edges or of places where the local pressure is lower than the vapor pressure. These bubbles are called cavities and the size of the cavities grows as the velocity increases. A properly designed cavitator can induce the formation of a single big cavity all over the vehicle. Such a vehicle travelling in the vaporous cavity is called a supercavitating vehicle and the present research work mainly focuses on the dynamic modeling of such vehicles. Cavitation of the fins is also accounted and the effect of the same on trajectory is well explained. The entire dynamics has been developed using the state space approach and emphasis is given on the effect of size and angle of attack of the cavitator. Control law has been established for the motion of the vehicle using Non-linear Dynamic Inverse (NDI) with cavitator as the control surface.

Keywords: High speed underwater vehicle, Non-Linear Dynamic Inverse (NDI), six-dof modeling, Supercavitation, Torpedo.

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Authors: Toshihiko Matsuka

Abstract:

One problem in evaluating recent computational models of human category learning is that there is no standardized method for systematically comparing the models' assumptions or hypotheses. In the present study, a flexible general model (called GECLE) is introduced that can be used as a framework to systematically manipulate and compare the effects and descriptive validities of a limited number of assumptions at a time. Two example simulation studies are presented to show how the GECLE framework can be useful in the field of human high-order cognition research.

Keywords: artificial intelligence, category learning, cognitive modeling, radial basis functions.

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Authors: A. Douara, N. Kermas, B. Djellouli

Abstract:

In this study, we report calculations of gate capacitance of AlGaN/GaN HEMTs with nextnano device simulation software. We have used a physical gate capacitance model for III-V FETs that incorporates quantum capacitance and centroid capacitance in the channel. These simulations explore various device structures with different values of barrier thickness and channel thickness. A detailed understanding of the impact of gate capacitance in HEMTs will allow us to determine their role in future 10 nm physical gate length node.

Keywords: AlGaN/GaN, centroid capacitance, gate capacitance, HEMT, quantum capacitance.

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Authors: M. Alauddin, T. Tsujimoto

Abstract:

Dynamicity of stream channels along with environmental concern is the key issue to address in lowland rivers like Jamuna in Bangladesh. The groins are important structures in attaining the improved river environment, but their effective functioning is not evident yet with the present design. Considering the present demands, an approach through modification of groin configurations is planned to function more natural way in dynamic lowland rivers. Four different configurations including the conventional one are considered in the study, and the changes in hydro- and morpho-dynamics affected by various structures are investigated in the laboratory. Results show that the modified combined groin favors gradual deceleration of flow towards the channel side and minimizes local scour noticeably. This favors stable regular channel and improve environmental functions.

Keywords: Lowland river, dynamicity, river environment, groin configuration, local scour.

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Authors: Ahmad Ghayoumi, Mehdi Ghayoumi

Abstract:

Intelligent schools are those which use IT devices and technologies as media software, hardware and networks to improve learning process. On the other hand management improvement is best described as the process from which managers learn and improve their skills not only to benefit themselves but also their employing organizations Here, we present a model Management improvement System that has been applied on some schools and have made strict improvement.

Keywords: Intelligent school, Management development system, Learning station, Teaching station

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Authors: Jin Xu, Albert Y.S. Lam, Victor O.K. Li

Abstract:

Stock portfolio selection is a classic problem in finance, and it involves deciding how to allocate an institution-s or an individual-s wealth to a number of stocks, with certain investment objectives (return and risk). In this paper, we adopt the classical Markowitz mean-variance model and consider an additional common realistic constraint, namely, the cardinality constraint. Thus, stock portfolio optimization becomes a mixed-integer quadratic programming problem and it is difficult to be solved by exact optimization algorithms. Chemical Reaction Optimization (CRO), which mimics the molecular interactions in a chemical reaction process, is a population-based metaheuristic method. Two different types of CRO, named canonical CRO and Super Molecule-based CRO (S-CRO), are proposed to solve the stock portfolio selection problem. We test both canonical CRO and S-CRO on a benchmark and compare their performance under two criteria: Markowitz efficient frontier (Pareto frontier) and Sharpe ratio. Computational experiments suggest that S-CRO is promising in handling the stock portfolio optimization problem.

Keywords: Stock portfolio selection, Markowitz model, Chemical Reaction Optimization, Sharpe ratio

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Authors: Grigorios N. Beligiannis, Georgios A. Tsirogiannis, Panayotis E. Pintelas

Abstract:

In this contribution, the use of a new genetic operator is proposed. The main advantage of using this operator is that it is able to assist the evolution procedure to converge faster towards the optimal solution of a problem. This new genetic operator is called ''intuition'' operator. Generally speaking, one can claim that this operator is a way to include any heuristic or any other local knowledge, concerning the problem, that cannot be embedded in the fitness function. Simulation results show that the use of this operator increases significantly the performance of the classic Genetic Algorithm by increasing the convergence speed of its population.

Keywords: Genetic algorithms, intuition operator, reasonable genomes, complex search space, nonlinear fitness functions

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Authors: Tainchi Lu, Chochih Lin

Abstract:

With a rapid growth in 3D graphics technology over the last few years, people are desired to see more flexible reacting motions of a biped in animations. In particular, it is impossible to anticipate all reacting motions of a biped while facing a perturbation. In this paper, we propose a three-level tracking method for animating a 3D humanoid character. First, we take the laws of physics into account to attach physical attributes, such as mass, gravity, friction, collision, contact, and torque, to bones and joints of a character. The next step is to employ PD controller to follow a reference motion as closely as possible. Once the character cannot tolerate a strong perturbation to prevent itself from falling down, we are capable of tracking a desirable falling-down action to avoid any falling condition inaccuracy. From the experimental results, we demonstrate the effectiveness and flexibility of the proposed method in comparison with conventional data-driven approaches.

Keywords: Character Animation, Forward Dynamics, Motion Tracking, PD Control.

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Authors: Sayani Sil, Sukanta Das

Abstract:

This paper reports a distributed mutual exclusion algorithm for mobile Ad-hoc networks. The network is clustered hierarchically. The proposed algorithm considers the clustered network as a logical tree and develops a token passing scheme to get the mutual exclusion. The performance analysis and simulation results show that its message requirement is optimal, and thus the algorithm is energy efficient.

Keywords: Critical section, Distributed mutual exclusion, MobileAd-hoc network, Token-based algorithms.

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Authors: José Carlos Rodríguez, Mario Gómez

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The aim of this paper is to get insight on the nature of university-industry technology transfer (UITT) and technology transfer offices (TTOs) activity at universities in the case of emerging economies. In relation to the process of transferring knowledge/technology in the case of emerging economies, knowledge/technology transfer in these economies are more reactive than in developed economies due to differences in maturity of technologies. It is assumed in this paper that knowledge/technology transfer is a complex phenomenon, and thus the paper contributes to get insight on the nature of UITT and TTOs creation in the case of emerging economies by using a system dynamics model of knowledge/technology transfer in these countries. The paper recognizes the differences between industrialized countries and emerging economies on these phenomena.

Keywords: University-industry technology transfer, technology transfer offices, technology transfer models, emerging economies.

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Authors: Halil Fidan

Abstract:

In this work, the autoregressive vectors are used to know dynamics of the Agricultural export and import, and the real effective exchange rate (REER). In order to analyze the interactions, the impulse- response function is used in decomposition of variance, causality of Granger as well as the methodology of Johansen to know the relations co integration. The REER causes agricultural export and import in the sense of Granger. The influence displays the innovations of the REER on the agricultural export and import is not very great and the duration of the effects is short. It displays that REER has an immediate positive effect, after the tenth year it displays smooth results on the agricultural export. Evidence of a vector exists co integration, In short run, REER has smaller effects on export and import, compared to the long-run effects.

Keywords: Agricultural import, agricultural export, autoregressive causality of granger, impulse-response function, long run, short run.

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Authors: Anant Oonsivilai, Kenedy A. Greyson

Abstract:

The demand of the energy management systems (EMS) set forth by modern power systems requires fast energy management systems. Contingency analysis is among the functions in EMS which is time consuming. In order to handle this limitation, this paper introduces agent based technology in the contingency analysis. The main function of agents is to speed up the performance. Negotiations process in decision making is explained and the issue set forth is the minimization of the operating costs. The IEEE 14 bus system and its line outage have been used in the research and simulation results are presented.

Keywords: Agents, model, negotiation, optimal dispatch, powersystems.

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Authors: P. Georgieva, S. Feyo de Azevedo

Abstract:

This paper is focused on issues of process modeling and two model based control strategies of a fed-batch sugar crystallization process applying the concept of artificial neural networks (ANNs). The control objective is to force the operation into following optimal supersaturation trajectory. It is achieved by manipulating the feed flow rate of sugar liquor/syrup, considered as the control input. The control task is rather challenging due to the strong nonlinearity of the process dynamics and variations in the crystallization kinetics. Two control alternatives are considered – model predictive control (MPC) and feedback linearizing control (FLC). Adequate ANN process models are first built as part of the controller structures. MPC algorithm outperforms the FLC approach with respect to satisfactory reference tracking and smooth control action. However, the MPC is computationally much more involved since it requires an online numerical optimization, while for the FLC an analytical control solution was determined.

Keywords: artificial neural networks, nonlinear model control, process identification, crystallization process

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Authors: George N. Prodromidis, Frank A. Coutelieris

Abstract:

Biogas can be currently considered as an alternative option for electricity production, mainly due to its high energy content (hydrocarbon-rich source), its renewable status and its relatively low utilization cost. Solid Oxide Fuel Cell (SOFC) stacks convert fuel’s chemical energy to electricity with high efficiencies and reveal significant advantages on fuel flexibility combined with lower emissions rate, especially when utilize biogas. Electricity production by biogas constitutes a composite problem which incorporates an extensive parametric analysis on numerous dynamic variables. The main scope of the presented study is to propose a detailed thermodynamic model on the optimization of SOFC-based power plants’ operation based on fundamental thermodynamics, energy and exergy balances. This model named THERMAS (THERmodynamic MAthematical Simulation model) incorporates each individual process, during electricity production, mathematically simulated for different case studies that represent real life operational conditions. Also, THERMAS offers the opportunity to choose a great variety of different values for each operational parameter individually, thus allowing for studies within unexplored and experimentally impossible operational ranges. Finally, THERMAS innovatively incorporates a specific criterion concluded by the extensive energy analysis to identify the most optimal scenario per simulated system in exergy terms. Therefore, several dynamical parameters as well as several biogas mixture compositions have been taken into account, to cover all the possible incidents. Towards the optimization process in terms of an innovative OPF (OPtimization Factor), presented here, this research study reveals that systems supplied by low methane fuels can be comparable to these supplied by pure methane. To conclude, such an innovative simulation model indicates a perspective on the optimal design of a SOFC stack based system, in the direction of the commercialization of systems utilizing biogas.

Keywords: Biogas, Exergy, Optimization, SOFC.

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Authors: Yanling Zhu

Abstract:

In this paper, a predator-prey model with Holling III type functional response is studied. It is interesting that the system is always uniformly persistent, which yields the existence of at least one positive periodic solutions for the corresponding periodic system. The result improves the corresponding ones in [11]. Moreover, an example is illustrated to verify the results by simulation.

Keywords: Predator-prey model, Uniformly persistence, Comparisontheorem, Holling III type functional response.

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Authors: Alla V. Goncharova, Tatyana A. Karpenyuk, Yana S. Tsurkan, Rosa U. Beisembaeva, Togzhan D. Mukasheva, Ludmila V. Ignatova, Ramza Z. Berzhanova

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In this work the effect of culturing conditions of filamentous fungi Penicillium raistrickii, Penicillium anatolicum, Fusarium sp. on biomass yield, the content of total lipids and fatty acids was studied. It has been established that in time the process of lipids accumulation correlated with biomass growth of cultures, reaching maximum values in stationary growth phase.

Biomass yield and accumulation of general lipids was increased by adding zinc to the culture medium. The more intensive accumulation of biomass and general lipids was observed at temperature 18°C. Lowering the temperature of culturing has changed the ratio of saturated: Unsaturated fatty acids in the direction of increasing the latter.

Keywords: Biomass, culturing conditions, fungi, fatty acids (FA), growth dynamics, lipids.

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Authors: Soichi Ogishima, Takeshi Hase, So Nakagawa, Yasuhiro Suzuki, Hiroshi Tanaka

Abstract:

To understand life as biological system, evolutionary understanding is indispensable. Protein interactions data are rapidly accumulating and are suitable for system-level evolutionary analysis. We have analyzed yeast protein interaction network by both mathematical and biological approaches. In this poster presentation, we inferred the evolutionary birth periods of yeast proteins by reconstructing phylogenetic profile. It has been thought that hub proteins that have high connection degree are evolutionary old. But our analysis showed that hub proteins are entirely evolutionary new. We also examined evolutionary processes of protein complexes. It showed that member proteins of complexes were tend to have appeared in the same evolutionary period. Our results suggested that protein interaction network evolved by modules that form the functional unit. We also reconstructed standardized phylogenetic trees and calculated evolutionary rates of yeast proteins. It showed that there is no obvious correlation between evolutionary rates and connection degrees of yeast proteins.

Keywords: Protein interaction network, evolution, modularity, evolutionary rate, connection degrees.

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Authors: Imane Khalil, Quinn Pratt

Abstract:

In a nuclear reactor, an array of fuel rods containing stacked uranium dioxide pellets clad with zircalloy is the heat source for a thermodynamic cycle of energy conversion from heat to electricity. After fuel is used in a nuclear reactor, the assemblies are stored underwater in a spent nuclear fuel pool at the nuclear power plant while heat generation and radioactive decay rates decrease before it is placed in packages for dry storage or transportation. A computational model of a Boiling Water Reactor spent fuel assembly is modeled using FLUENT, the computational fluid dynamics package. Heat transfer simulations were performed on the two-dimensional 9x9 spent fuel assembly to predict the maximum cladding temperature for different input to the FLUENT model. Uncertainty quantification is used to predict the heat transfer and the maximum temperature profile inside the assembly.

Keywords: Spent nuclear fuel, conduction, heat transfer, uncertainty quantification.

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Authors: Mohsen Bagheri, Ahmad Afifi

Abstract:

This paper presents a new method for read out of the piezoresistive accelerometer sensors. The circuit works based on Instrumentation amplifier and it is useful for reducing offset In Wheatstone Bridge. The obtained gain is 645 with 1μv/°c Equivalent drift and 1.58mw power consumption. A Schmitt trigger and multiplexer circuit control output node. a high speed counter is designed in this work .the proposed circuit is designed and simulated In 0.18μm CMOS technology with 1.8v power supply.

Keywords: Piezoresistive accelerometer, zero offset, Schmitt trigger, bidirectional reversible counter

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Authors: O. P. Misra, Preety Kalra

Abstract:

It is well recognized that the green house gases such as Chlorofluoro Carbon (CFC), CH4, CO2 etc. are responsible directly or indirectly for the increase in the average global temperature of the Earth. The presence of CFC is responsible for the depletion of ozone concentration in the atmosphere due to which the heat accompanied with the sun rays are less absorbed causing increase in the atmospheric temperature of the Earth. The gases like CH4 and CO2 are also responsible for the increase in the atmospheric temperature. The increase in the temperature level directly or indirectly affects the dynamics of interacting species systems. Therefore, in this paper a mathematical model is proposed and analysed using stability theory to asses the effects of increasing temperature due to greenhouse gases on the survival or extinction of populations in a prey-predator system. A threshold value in terms of a stress parameter is obtained which determines the extinction or existence of populations in the underlying system.

Keywords: Equilibria, Green house gases, Model, Populations, Stability.

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Authors: Frank Emmert Streib, Matthias Dehmer, Gökhan H. Bakır, Max Mühlhauser

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In this paper we investigate the influence of external noise on the inference of network structures. The purpose of our simulations is to gain insights in the experimental design of microarray experiments to infer, e.g., transcription regulatory networks from microarray experiments. Here external noise means, that the dynamics of the system under investigation, e.g., temporal changes of mRNA concentration, is affected by measurement errors. Additionally to external noise another problem occurs in the context of microarray experiments. Practically, it is not possible to monitor the mRNA concentration over an arbitrary long time period as demanded by the statistical methods used to learn the underlying network structure. For this reason, we use only short time series to make our simulations more biologically plausible.

Keywords: Dynamic Bayesian networks, structure learning, gene networks, Markov chain Monte Carlo, microarray data.

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Authors: Jenn-Yih Chen, Bean-Yin Lee, Yuan-Chuan Hsu, Jui-Cheng Lin, Kuang-Chyi Lee

Abstract:

In this paper, a sliding mode control method based on the passivity approach is proposed to control the position of surface-mounted permanent magnet synchronous motors (PMSMs). Firstly, the dynamics of a PMSM was proved to be strictly passive. The position controller with an adaptive law was used to estimate the load torque to eliminate the chattering effects associated with the conventional sliding mode controller. The stability analysis of the overall position control system was carried out by adopting the passivity theorem instead of Lyapunov-type arguments. Finally, experimental results were provided to show that the good position tracking can be obtained, and exhibit robustness in the variations of the motor parameters and load torque disturbances.

Keywords: Adaptive law, passivity theorem, permanent magnet synchronous motor, sliding mode control.

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Authors: H. Kiani, S. Moradi, B. Soltani Soulgani, S. Mousavian

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Desalting/dehydration plants (DDP) are often installed in crude oil production units in order to remove water-soluble salts from an oil stream. In order to optimize this process, desalting unit should be modeled. In this research, artificial neural network is used to model efficiency of desalting unit as a function of input parameter. The result of this research shows that the mentioned model has good agreement with experimental data.

Keywords: Desalting unit, Crude oil, Neural Networks, Simulation, Recovery, Separation.

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Authors: Raed H. Allawi

Abstract:

Fracture pressure is the main parameter applied in wells design and used to avoid drilling problems like lost circulation. Thus, this study aims to predict the fracture pressure of oil reservoirs in the southern Iraq Oilfield. The data required to implement this study included bulk density, compression wave velocity, gamma-ray, and leak-off test. In addition, this model is based on the pore pressure which is measured based on the Modular Formation Dynamics Tester (MDT). Many measured values of pore pressure were used to validate the accurate model. Using sonic velocity approaches, the mean absolute percentage error (MAPE) was about 4%. The fracture pressure results were consistent with the measurement data, actual drilling report, and events. The model's results will be a guide for successful drilling in future wells in the same oilfield.

Keywords: Pore pressure, fracture pressure, overburden pressure, effective stress, drilling events.

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Authors: Kalindi Kokal

Abstract:

India recognizes the personal laws of the various religious communities that reside in the country. At the same time all the institutions of the state in India are committed to the value of secularism. This paper has been developed on the basis of a case study that indicates the dynamics of religion in the working of the lower judiciary in India. Majority of the commentary on religion and the judiciary has focused on debates surrounding the existence and application of personal laws. This paper, through a case study in the lower judiciary, makes an attempt to examine whether the interface between religion and the judiciary goes beyond personal laws. The first part of this paper explains the history and application of personal laws in social, political and legal contexts in India. The second part examines the case study located in two courts of first instance, following into the third part which provides an analysis of the empirical evidence. The fourth part focuses on preliminary observations about why there is a hesitancy to speak about religion in relation to the working of the judicial system.

Keywords: Lower Courts, India, Legal Pluralism, Personal Law.

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Authors: Nichole Haag, Kimberly Velk, Tyler McCune, Chun Wu

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Methicillin/multiple-resistant Staphylococcus aureus (MRSA) are infectious bacteria that are resistant to common antibiotics. A previous in silico study in our group has identified a hypothetical protein SAV1226 as one of the potential drug targets. In this study, we reported the bioinformatics characterization, as well as cloning, expression, purification and kinetic assays of hypothetical protein SAV1226 from methicillin/vancomycin-resistant Staphylococcus aureus Mu50 strain. MALDI-TOF/MS analysis revealed a low degree of structural similarity with known proteins. Kinetic assays demonstrated that hypothetical protein SAV1226 is neither a domain of an ATP dependent dihydroxyacetone kinase nor of a phosphotransferase system (PTS) dihydroxyacetone kinase, suggesting that the function of hypothetical protein SAV1226 might be misannotated on public databases such as UniProt and InterProScan 5.

Keywords: Dihydroxyacetone kinase, essential genes, Methicillin-resistant Staphylococcus aureus, drug target.

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Authors: Krishna S. Raghuwaiya, Shonal Singh, Jito Vanualailai

Abstract:

In this paper, the trajectory tracking problem for carlike mobile robots have been studied. The system comprises of a leader and a follower robot. The purpose is to control the follower so that the leader-s trajectory is tracked with arbitrary desired clearance to avoid inter-robot collision while navigating in a terrain with obstacles. A set of artificial potential field functions is proposed using the Direct Method of Lyapunov for the avoidance of obstacles and attraction to their designated targets. Simulation results prove the efficiency of our control technique.

Keywords: Control, Trajectory Tracking, Lyapunov.

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Authors: Ibrahim Abdul Razak, Suhana Arshad, Nur Rafikah Razali, Azhar Abdul Rahman, Mohd Sukeri Mohd Yusof

Abstract:

Theoretical investigations are performed by DFT method of B3LYP/6-31G+(2d,p) and B3LYP/6-311G+(2d,p) basis sets for three carbonyl thiourea compounds, namely N-[(2,6-Diethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound I), N-[(3-Ethylphenyl)carbamothioyl]-2,2-diphenylacetamide (Compound II) and 2,2-Diphenyl-N-{[2-(trifluoromethyl)phenyl]carbamothioyl}acetamide (Compound III). Theoretical calculations for bond parameters, harmonic vibration frequencies and isotropic chemical shifts are in good agreement with the experimental results. The calculated molecular vibrations show good correlation values, which are 0.998 and 0.999 with the experimental data. The energy gap for compounds I, II and III calculated at B3LYP/6-31G+(2d,p) basis set are 4.455866117, 4.297495791 and 4.313550514 eV respectively, while for B3LYP/6-311G+(2d,p) basis set the energy gap obtained are 4.453689205 (Compound I), 4.311373603 (Compound II) and 4.315727426 (Compound III) eV.

Keywords: Crystallization, DFT studies, Spectroscopic Analysis, Thiourea.

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