Search results for: molecular logic gates
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2780

Search results for: molecular logic gates

2630 Value Creation of My Health Bank of National Health Insurance: Service Dominant Logic Perspective

Authors: Yu Hua Yan

Abstract:

Background: This research attempts to extend and apply the concept of service dominant logic on My Health Bank platform, analyzed to find out are there any significant difference in wills to participate (potential factors for value) on the results of value co-creation? Methods: The questionnaires were delivered from August 2017 to October 2017 in hospitals. 167 valid ones were received, with an effective response rate of 98.2%. Results: This research employed the questionnaire method in collecting research data, with patients that have used My Health Bank as objects, to whom questionnaires were sent. Regarding the factors influencing therapeutic effects, in the statistics of capability and interaction, it reached a significant level (p <0.1). Regarding the factors influencing satisfaction on medical service, in the statistics of capability and interaction, it reached a significant level (p <0.001). Conclusion: Regarding the contributions of this research, it is possible to clarify its contents with the studies on value co-creation to enrich the literature of the studies of service dominant logic and value co-creation in Taiwan. Regarding its contribution in practice, the results of this research allows the value advocator – the government, to have a broader view in the consideration of making the policies on value co-creation.

Keywords: My Health Bank, interactive, participation, value creation

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2629 Double Negative Differential Resistance Features in Series AIN/GaN Double-Barrier Resonant Tunneling Diodes Vertically Integrated by Plasma-Assisted Molecular Beam Epitaxy

Authors: Jiajia Yao, Guanlin Wu, Fang Liu, Junshuai Xue, Yue Hao

Abstract:

This study reports on the epitaxial growth of a GaN-based resonant tunneling diode (RTD) structure with stable and repeatable double negative differential resistance (NDR) characteristics at room temperature on a c-plane GaN-on-sapphire template using plasma-assisted molecular beam epitaxy (PA-MBE) technology. In this structure, two independent AlN/GaN RTDs are epitaxially connected in series in the vertical growth direction through a silicon-doped GaN layer. As the collector electrode bias voltage increases, the two RTDs respectively align the ground state energy level in the quantum well with the 2DEG energy level in the emitter accumulation well to achieve quantum resonant tunneling and then reach the negative differential resistance (NDR) region. The two NDR regions exhibit similar peak current densities and peak-to-valley current ratios, which are 230 kA/cm² and 249 kA/cm², 1.33 and 1.38, respectively, for a device with a collector electrode mesa diameter of 1 µm. The consistency of the NDR is much higher than the results of on-chip discrete RTD device interconnection, resulting from the smaller chip area, fewer interconnect parasitic parameters, and less process complexity. The methods and results presented in this paper show the brilliant prospects of GaN RTDs in the development of multi-value logic digital circuits.

Keywords: MBE, AlN/GaN, RTDs, double NDR

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2628 Site Selection of CNG Station by Using FUZZY-AHP Model (Case Study: Gas Zone 4, Tehran City Iran)

Authors: Hamidrza Joodaki

Abstract:

The most complex issue in urban land use planning is site selection that needs to assess the verity of elements and factors. Multi Criteria Decision Making (MCDM) methods are the best approach to deal with complex problems. In this paper, combination of the analytical hierarchy process (AHP) model and FUZZY logic was used as MCDM methods to select the best site for gas station in the 4th gas zone of Tehran. The first and the most important step in FUZZY-AHP model is selection of criteria and sub-criteria. Population, accessibility, proximity and natural disasters were considered as the main criteria in this study. After choosing the criteria, they were weighted based on AHP by EXPERT CHOICE software, and FUZZY logic was used to enhance accuracy and to approach the reality. After these steps, criteria layers were produced and weighted based on FUZZY-AHP model in GIS. Finally, through ARC GIS software, the layers were integrated and the 4th gas zone in TEHRAN was selected as the best site to locate gas station.

Keywords: multiple criteria decision making (MCDM), analytic hierarchy process (AHP), FUZZY logic, geographic information system (GIS)

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2627 Molecular and Electronic Structure of Chromium (III) Cyclopentadienyl Complexes

Authors: Salem El-Tohami Ashoor

Abstract:

Here we show that the reduction of [Cr(ArN(CH2)3NAr)2Cl2] (1) where (Ar = 2,6-Pri2C6H3) and in presence of NaCp (2) (Cp= C5H5 = cyclopentadien), with a center coordination η5 interaction between Cp as co-ligand and chromium metal center, this was optimization by using density functional theory (DFT) and then was comparing with experimental data, also other possibility of Cp interacted with ion metal were tested like η1 ,η2 ,η3 and η4 under optimization system. These were carried out under investigation of density functional theory (DFT) calculation, and comparing together. Other methods, explicitly including electron correlation, are necessary for more accurate calculations; MB3LYP ( Becke)( Lee–Yang–Parr ) level of theory often being used to obtain more exact results. These complexes were estimated of electronic energy for molecular system, because it accounts for all electron correlation interactions. The optimised of [Cr(ArN(CH2)3NAr)2(η5-Cp)] (Ar = 2,6-Pri2C6H3 and Cp= C5H5) was found to be thermally more stable than others of chromium cyclopentadienyl. By using Dewar-Chatt-Duncanson model, as a basis of the molecular orbital (MO) analysis and showed the highest occupied molecular orbital (HOMO) and lowest occupied molecular orbital LUMO.

Keywords: Chromium(III) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO

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2626 MPPT Control with (P&O) and (FLC) Algorithms of Solar Electric Generator

Authors: Dib Djalel, Mordjaoui Mourad

Abstract:

The current trend towards the exploitation of various renewable energy resources has become indispensable, so it is important to improve the efficiency and reliability of the GPV photovoltaic systems. Maximum Power Point Tracking (MPPT) plays an important role in photovoltaic power systems because it maximize the power output from a PV system for a given set of conditions. This paper presents a new fuzzy logic control based MPPT algorithm for solar panel. The solar panel is modeled and analyzed in Matlab/Simulink. The Solar panel can produce maximum power at a particular operating point called Maximum Power Point(MPP). To produce maximum power and to get maximum efficiency, the entire photovoltaic panel must operate at this particular point. Maximum power point of PV panel keeps on changing with changing environmental conditions such as solar irradiance and cell temperature. Thus, to extract maximum available power from a PV module, MPPT algorithms are implemented and Perturb and Observe (P&O) MPPT and fuzzy logic control FLC, MPPT are developed and compared. Simulation results show the effectiveness of the fuzzy control technique to produce a more stable power.

Keywords: MPPT, photovoltaic panel, fuzzy logic control, modeling, solar power

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2625 A Different Approach to Optimize Fuzzy Membership Functions with Extended FIR Filter

Authors: Jun-Ho Chung, Sung-Hyun Yoo, In-Hwan Choi, Hyun-Kook Lee, Moon-Kyu Song, Choon-Ki Ahn

Abstract:

The extended finite impulse response (EFIR) filter is addressed to optimize membership functions (MFs) of the fuzzy model that has strong nonlinearity. MFs are important parts of the fuzzy logic system (FLS) and, thus optimizing MFs of FLS is one of approaches to improve the performance of output. We employ the EFIR as an alternative optimization option to nonlinear fuzzy model. The performance of EFIR is demonstrated on a fuzzy cruise control via a numerical example.

Keywords: fuzzy logic system, optimization, membership function, extended FIR filter

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2624 Iraqi Short Term Electrical Load Forecasting Based on Interval Type-2 Fuzzy Logic

Authors: Firas M. Tuaimah, Huda M. Abdul Abbas

Abstract:

Accurate Short Term Load Forecasting (STLF) is essential for a variety of decision making processes. However, forecasting accuracy can drop due to the presence of uncertainty in the operation of energy systems or unexpected behavior of exogenous variables. Interval Type 2 Fuzzy Logic System (IT2 FLS), with additional degrees of freedom, gives an excellent tool for handling uncertainties and it improved the prediction accuracy. The training data used in this study covers the period from January 1, 2012 to February 1, 2012 for winter season and the period from July 1, 2012 to August 1, 2012 for summer season. The actual load forecasting period starts from January 22, till 28, 2012 for winter model and from July 22 till 28, 2012 for summer model. The real data for Iraqi power system which belongs to the Ministry of Electricity.

Keywords: short term load forecasting, prediction interval, type 2 fuzzy logic systems, electric, computer systems engineering

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2623 Chassis Level Control Using Proportional Integrated Derivative Control, Fuzzy Logic and Deep Learning

Authors: Atakan Aral Ormancı, Tuğçe Arslantaş, Murat Özcü

Abstract:

This study presents the design and implementation of an experimental chassis-level system for various control applications. Specifically, the height level of the chassis is controlled using proportional integrated derivative, fuzzy logic, and deep learning control methods. Real-time data obtained from height and pressure sensors installed in a 6x2 truck chassis, in combination with pulse-width modulation signal values, are utilized during the tests. A prototype pneumatic system of a 6x2 truck is added to the setup, which enables the Smart Pneumatic Actuators to function as if they were in a real-world setting. To obtain real-time signal data from height sensors, an Arduino Nano is utilized, while a Raspberry Pi processes the data using Matlab/Simulink and provides the correct output signals to control the Smart Pneumatic Actuator in the truck chassis. The objective of this research is to optimize the time it takes for the chassis to level down and up under various loads. To achieve this, proportional integrated derivative control, fuzzy logic control, and deep learning techniques are applied to the system. The results show that the deep learning method is superior in optimizing time for a non-linear system. Fuzzy logic control with a triangular membership function as the rule base achieves better outcomes than proportional integrated derivative control. Traditional proportional integrated derivative control improves the time it takes to level the chassis down and up compared to an uncontrolled system. The findings highlight the superiority of deep learning techniques in optimizing the time for a non-linear system, and the potential of fuzzy logic control. The proposed approach and the experimental results provide a valuable contribution to the field of control, automation, and systems engineering.

Keywords: automotive, chassis level control, control systems, pneumatic system control

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2622 Two-Dimensional Material-Based Negative Differential Resistance Device with High Peak-to- Valley Current Ratio for Multi-Valued Logic Circuits

Authors: Kwan-Ho Kim, Jin-Hong Park

Abstract:

The multi-valued logic (MVL) circuits, which can handle more than two logic states, are one of the promising solutions to overcome the bit density limitations of conventional binary logic systems. Recently, tunneling devices such as Esaki diode and resonant tunneling diode (RTD) have been extensively explored to construct the MVL circuits. These tunneling devices present a negative differential resistance (NDR) phenomenon in which a current decreases as a voltage increases in a specific applied voltage region. Due to this non-monotonic current behavior, the tunneling devices have more than two threshold voltages, consequently enabling construction of MVL circuits. Recently, the emergence of two dimensional (2D) van der Waals (vdW) crystals has opened up the possibility to fabricate such tunneling devices easily. Owing to the defect-free surface of the 2D crystals, a very abrupt junction interface could be formed through a simple stacking process, which subsequently allowed the implementation of a high-performance tunneling device. Here, we report a vdW heterostructure based tunneling device with multiple threshold voltages, which was fabricated with black phosphorus (BP) and hafnium diselenide (HfSe₂). First, we exfoliated BP on the SiO₂ substrate and then transferred HfSe₂ on BP using dry transfer method. The BP and HfSe₂ form type-Ⅲ heterojunction so that the highly doped n+/p+ interface can be easily implemented without additional electrical or chemical doping process. Owing to high natural doping at the junction, record high peak to valley ratio (PVCR) of 16 was observed to the best our knowledge in 2D materials based NDR device. Furthermore, based on this, we first demonstrate the feasibility of the ternary latch by connecting two multi-threshold voltage devices in series.

Keywords: two dimensional van der Waals crystal, multi-valued logic, negative differential resistnace, tunneling device

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2621 A Fuzzy-Logic Approach to Rule-Based Systems for Leadership Style Selection

Authors: Kim Michelle Siegling, Thomas Spengler, Sebastian Herzog

Abstract:

In personnel economics, the choice of a leadership style is about the question of how a supervisor should lead his or her employees in such a way that operational goals are achieved. In this paper, it is assumed that such leadership decisions are made according to the situation. Thus, the optimal or at least a permissible leadership style has to be selected from a set of several possible leadership styles. For this choice, a wide range of models has been developed in the scientific literature, from which the so-called normative decision model will be picked out and focused on. While the original model is based on univocal rules, this paper develops a fuzzy rule system.

Keywords: leadership, leadership styles, rule based systems, fuzzy logic

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2620 Microbiological Activity and Molecular Docking Study of Selected Steroid Derivatives of Biomedical Importance

Authors: Milica Karadzic, Lidija Jevric, Sanja Podunavac-Kuzmanovic, Strahinja Kovacevic, Sinisa Markov, Aleksandar Okljesa, Andrea Nikolic, Marija Sakac, Katarina Penov Gasi

Abstract:

This study considered the microbiological activity determination and molecular docking study for selected steroid derivatives of biomedical importance. Minimal inhibitory concentration (MIC) was determined for steroid derivatives against Staphylococcus aureus using macrodilution method. Some of the investigated steroid derivatives express bacteriostatic effect against Staphylococcus aureus. Molecular docking approaches are the most widely used techniques for predicting the binding mode of a ligand. Molecular docking study was done for steroid derivatives for androgen receptor negative prostate cancer cell line (PC-3) toward Human Cytochrome P450 CYP17A1. The molecules that had the smallest experimental IC50 values confirmed their ability to dock into active place using suitable molecular docking procedure. The binding disposition of those molecules was thoroughly investigated. Microbiological analysis and molecular docking study were conducted with aim to additionally characterize selected steroid derivatives for future investigation regarding their biological activity and to estimate the binding-affinities of investigated derivatives. This article is based upon work from COST Action (TD1305), supported by COST (European Cooperation and Science and Technology).

Keywords: binding affinity, minimal inhibitory concentration, molecular docking, pc-3 cell line, staphylococcus aureus, steroids

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2619 Detection of Flood Prone Areas Using Multi Criteria Evaluation, Geographical Information Systems and Fuzzy Logic. The Ardas Basin Case

Authors: Vasileiou Apostolos, Theodosiou Chrysa, Tsitroulis Ioannis, Maris Fotios

Abstract:

The severity of extreme phenomena is due to their ability to cause severe damage in a small amount of time. It has been observed that floods affect the greatest number of people and induce the biggest damage when compared to the total of annual natural disasters. The detection of potential flood-prone areas constitutes one of the fundamental components of the European Natural Disaster Management Policy, directly connected to the European Directive 2007/60. The aim of the present paper is to develop a new methodology that combines geographical information, fuzzy logic and multi-criteria evaluation methods so that the most vulnerable areas are defined. Therefore, ten factors related to geophysical, morphological, climatological/meteorological and hydrological characteristics of the basin were selected. Afterwards, two models were created to detect the areas pronest to flooding. The first model defined the gravitas of each factor using Analytical Hierarchy Process (AHP) and the final map of possible flood spots were created using GIS and Boolean Algebra. The second model made use of the fuzzy logic and GIS combination and a respective map was created. The application area of the aforementioned methodologies was in Ardas basin due to the frequent and important floods that have taken place these last years. Then, the results were compared to the already observed floods. The result analysis shows that both models can detect with great precision possible flood spots. As the fuzzy logic model is less time-consuming, it is considered the ideal model to apply to other areas. The said results are capable of contributing to the delineation of high risk areas and to the creation of successful management plans dealing with floods.

Keywords: analytical hierarchy process, flood prone areas, fuzzy logic, geographic information system

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2618 Improvement of Direct Torque and Flux Control of Dual Stator Induction Motor Drive Using Intelligent Techniques

Authors: Kouzi Katia

Abstract:

This paper proposes a Direct Torque Control (DTC) algorithm of dual Stator Induction Motor (DSIM) drive using two approach intelligent techniques: Artificial Neural Network (ANN) approach replaces the switching table selector block of conventional DTC and Mamdani Fuzzy Logic controller (FLC) is used for stator resistance estimation. The fuzzy estimation method is based on an online stator resistance correction through the variations of stator current estimation error and its variation. The fuzzy logic controller gives the future stator resistance increment at the output. The main advantage of suggested algorithm control is to reduce the hardware complexity of conventional selectors, to avoid the drive instability that may occur in certain situation and ensure the tracking of the actual of the stator resistance. The effectiveness of the technique and the improvement of the whole system performance are proved by results.

Keywords: artificial neural network, direct torque control, dual stator induction motor, fuzzy logic estimator, switching table

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2617 Investigating the Effect of the Shape of the Side Supports of the Gates of the Gotvand Reservoir Dam (from the Peak Overflows) on the Narrowing Coefficients

Authors: M. Abbasi

Abstract:

A spillway structure is used to pass excess water and floods from upstream or upstream to downstream or tributary. The spillway is considered one of the most key members of the dam, and the failure of many dams is attributed to the inefficiency of their spillway. Weirs should be selected as strong, reliable and high-performance structures, and weirs should be ready for use in all conditions and able to drain the flood so that we do not witness many casualties and financial losses when a flood occurs. The purpose of this study is to simulate the flow pattern passing over the peak spillway in order to optimize and adjust the height of the spillway walls. In this research, the effect of the shape of the side wings on the flow pattern over the peak spillways of the Gotvand reservoir dam was simulated and modelled using Flow3D software. In this research, side wings with rounded walls with six different approach angles were used. In addition, the different value of H/Hd was used to check the effect of the tank head. The results showed that with the constant H/Hd ratio and the increase of the approach angle of the side wing, the flow depth first decreases and then increases. These changes were the opposite regarding the depth average speed of the flow and the depth average concentration of the air entering the flow. At the same time, with the constant angle of approach of the side wing and with the increase of H/Hd ratio, the flow depth increases. In general, a correct understanding of the operation of overflows and a correct design can significantly reduce construction costs and solve flooding problems.

Keywords: effect of the shape, gotvand reservoir dam, narrowing coefficients, supports of the gates

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2616 Structure-Based Virtual Screening to Identify CLDN4 Inhibitors

Authors: Jayanthi Sivaraman

Abstract:

Claudins are the important components of the tight junctions that play a key role in paracellular permeability. Among various members of Claudin family, Claudin 4 (CLDN4) is found to be overexpressed in ovarian, pancreatic carcinomas and other epithelial malignancies. Therefore, in this study, an attempt has been made to identify potent inhibitors for CLDN4 from the ZINC database using virtual screening, molecular docking and molecular dynamics simulations. A well refined molecular model of CLDN4 was built using Prime of Schrodinger v10.2(Template- PDB ID: 4P79). Approximately, 6 million compounds from ZINC database are subjected to high-throughput virtual screening (HTVS) against the active site of CLDN4. Molecular docking using GLIDE predicted ARG31, ASN142, ASP146 and ARG158 as critically important residues. Furthermore, three compounds from ZINC database (ZINC96331839, ZINC36533519 and ZINC75819394) showed highly promising ADME properties and binding affinity with stable conformation. The therapeutic efficiency of these lead compounds is evaluated and confirmed by in-vitro and in-vivo studies which leads to the development of novel anti-cancer drugs.

Keywords: ADME property, inhibitors, molecular docking, virtual screening

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2615 X-Ray Fluorescence Molecular Imaging with Improved Sensitivity for Biomedical Applications

Authors: Guohua Cao, Xu Dong

Abstract:

X-ray Fluorescence Molecular Imaging (XFMI) holds great promise as a low-cost molecular imaging modality for biomedical applications with high chemical sensitivity. However, for in vivo biomedical applications, a key technical bottleneck is the relatively low chemical sensitivity of XFMI, especially at a reasonably low radiation dose. In laboratory x-ray source based XFMI, one of the main factors that limits the chemical sensitivity of XFMI is the scattered x-rays. We will present our latest findings on improving the chemical sensitivity of XFMI using excitation beam spectrum optimization. XFMI imaging experiments on two mouse-sized phantoms were conducted at three different excitation beam spectra. Our results show that the minimum detectable concentration (MDC) of iodine can be readily increased by five times via excitation spectrum optimization. Findings from this investigation could find use for in vivo pre-clinical small-animal XFMI in the future.

Keywords: molecular imaging, X-ray fluorescence, chemical sensitivity, X-ray scattering

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2614 Characterization of Some Bread Wheat Genotypes for Drought Tolerance Using Molecular Markers

Authors: Begüm Terzi, Özlem Ateş Sönmezoğlu, Ahmet Yildirim

Abstract:

Drought is the most important factor that limiting the production and productivity of wheat in the world. The yield of wheat, which is one of the most important crop in the world, reduced depend on drought. Researches to minimize effects of drought are one of the most important about breeding of drought resistant varieties. In recent years, benefiting from the drought resistance wild species and rapid advances in molecular biology studies, researches about drought have been accelerated and number of studies were made on molecular plant breeding which included the molecular mechanisms related to drought resistance. The aim of the present study was characterization of some bread wheat lines for drought tolerance which commonly cultivated in different location of Turkey. In this study, registered 9 bread wheat varieties which on the physiological tests about drought tolerance and 10 bread wheat line has been developed by Transitional Zone Agricultural Research Institute were used. SSR, STS, RAPD and SNP markers that associated with drought tolerance were used. The polymorphisms of the markers were determined by screening of two control varieties. For these purpose 40 molecular markers were used and 12 markers of them were polymorphic among the drought tolerance and the drought sensitive varieties. Control varieties were screened using polymorphic markers. All the DNAs on the genotypes will be searched for the presence of QTLs mapped to different chromosomes. Result of the research, the studied genotypes will be grouped according to drought tolerance and will be detected drought tolerance varieties by molecular markers. In addition, the results will be compared also with physiological tests. The drought tolerant wheat genotypes may be used in breeding studies related to drought stress.

Keywords: bread wheat, drought, molecular marker, Triticum aestivum

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2613 Molecular Docking Study of Quinazoline and Quinoline Derivatives against EGFR

Authors: Asli Faiza, Khamouli Saida

Abstract:

With the development of computer tools over the past 20 years. Molecular modeling and, more precisely, molecular docking has very quickly entered field of pharmaceutical research. EGFR enzyme involved in cancer disease.Our work consists of studying the inhibition of EGFR (1M17) with deferent inhibitors derived from quinazoline and quinoline by molecular docking. The values of ligands L148 and L177 are the best ligands for inhibit the activity of 1M17 since it forms a stable complex with this enzyme by better binding to the active site. The results obtained show that the ligands L148 and L177 give weak interactions with the active site residues EGFR (1M17), which stabilize the complexes formed of this ligands, which gives a better binding at the level of the active site, and an RMSD of L148 [1,9563 Å] and of L177 [ 1,2483 Å]. [1, 9563, 1.2483] Å

Keywords: docking, EGFR, quinazoline, quinoliène, MOE

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2612 Effect of Molecular Weight Distribution on Toughening Performance of Polybutadiene in Polystyrene

Authors: Mohamad Mohsen Yavarizadeh

Abstract:

Polystyrene (PS) and related homopolymers are brittle materials that typically fail in tensile tests at very low strains. These polymers can be toughened by the addition of rubbery particles which initiate a large number of crazes that produce substantial plastic strain at relatively low stresses. Considerable energy is dissipated in the formation of these crazes, producing a relatively tough material that shows an impact toughness of more than 5 times of pure PS. While cross linking of rubbery phase is necessary in aforementioned mechanism of toughening, another mechanism of toughening was also introduced in which low molecular weight liquid rubbers can also toughen PS when dispersed in the form of small pools in the glassy matrix without any cross linking. However, this new mechanism which is based on local plasticization, fails to act properly at high strain rate deformations, i.e. impact tests. In this work, the idea of combination of these two mechanisms was tried. To do so, Polybutadiene rubbers (PB) with bimodal distribution of molecular weight were prepared in which, comparable fractions of very high and very low molecular weight rubbers were mixed. Incorporation of these materials in PS matrix in a reactive process resulted in more significant increases in toughness of PS. In other words, although low molecular weight PB is ineffective in high strain rate impact test by itself, it showed a significant synergistic effect when combined with high molecular weight PB. Surprisingly, incorporation of just 10% of low molecular weight PB doubled the impact toughness of regular high impact PS (HIPS). It was observed that most of rubbery particles could initiate crazes. The effectiveness of low molecular weight PB in impact test was attributed to low strain rate deformation of each individual craze as a result of producing a large number of crazes in this material. In other words, high molecular weight PB chains make it possible to have an appropriate dispersion of rubbery phase in order to create a large number of crazes in the PS matrix and consequently decrease the velocity of each craze. Low molecular weight PB, in turn, would have enough time to locally plasticize craze fibrils and enhance the energy dissipation.

Keywords: molecular weight distribution, polystyrene, toughness, homopolymer

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2611 In-silico DFT Study, Molecular Docking, ADMET Predictions, and DMS of Isoxazolidine and Isoxazoline Analogs with Anticancer Properties

Authors: Moulay Driss Mellaoui, Khadija Zaki, Khalid Abbiche, Abdallah Imjjad, Rachid Boutiddar, Abdelouahid Sbai, Aaziz Jmiai, Souad El Issami, Al Mokhtar Lamsabhi, Hanane Zejli

Abstract:

This study presents a comprehensive analysis of six isoxazolidine and isoxazoline derivatives, leveraging a multifaceted approach that combines Density Functional Theory (DFT), AdmetSAR analysis, and molecular docking simulations to explore their electronic, pharmacokinetic, and anticancer properties. Through DFT analysis, using the B3LYP-D3BJ functional and the 6-311++G(d,p) basis set, we optimized molecular geometries, analyzed vibrational frequencies, and mapped Molecular Electrostatic Potentials (MEP), identifying key sites for electrophilic attacks and hydrogen bonding. Frontier Molecular Orbital (FMO) analysis and Density of States (DOS) plots revealed varying stability levels among the compounds, with 1b, 2b, and 3b showing slightly higher stability. Chemical potential assessments indicated differences in binding affinities, suggesting stronger potential interactions for compounds 1b and 2b. AdmetSAR analysis predicted favorable human intestinal absorption (HIA) rates for all compounds, highlighting compound 3b superior oral effectiveness. Molecular docking and molecular dynamics simulations were conducted on isoxazolidine and 4-isoxazoline derivatives targeting the EGFR receptor (PDB: 1JU6). Molecular docking simulations confirmed the high affinity of these compounds towards the target protein 1JU6, particularly compound 3b, among the isoxazolidine derivatives, compound 3b exhibited the most favorable binding energy, with a g score of -8.50 kcal/mol. Molecular dynamics simulations over 100 nanoseconds demonstrated the stability and potential of compound 3b as a superior candidate for anticancer applications, further supported by structural analyses including RMSD, RMSF, Rg, and SASA values. This study underscores the promising role of compound 3b in anticancer treatments, providing a solid foundation for future drug development and optimization efforts.

Keywords: isoxazolines, DFT, molecular docking, molecular dynamic, ADMET, drugs.

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2610 A Framework for Rating Synchronous Video E-Learning Applications

Authors: Alex Vakaloudis, Juan Manuel Escano-Gonzalez

Abstract:

Setting up a system to broadcast live lectures on the web is a procedure which on the surface does not require any serious technical skills mainly due to the facilities provided by popular learning management systems and their plugins. Nevertheless, producing a system of outstanding quality is a multidisciplinary and by no means a straightforward task. This complicatedness may be responsible for the delivery of an overall poor experience to the learners, and it calls for a formal rating framework that takes into account the diverse aspects of an architecture for synchronous video e-learning systems. We discuss the specifications of such a framework which at its final stage employs fuzzy logic technique to transform from qualitative to quantitative results.

Keywords: synchronous video, fuzzy logic, rating framework, e-learning

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2609 High Performance Field Programmable Gate Array-Based Stochastic Low-Density Parity-Check Decoder Design for IEEE 802.3an Standard

Authors: Ghania Zerari, Abderrezak Guessoum, Rachid Beguenane

Abstract:

This paper introduces high-performance architecture for fully parallel stochastic Low-Density Parity-Check (LDPC) field programmable gate array (FPGA) based LDPC decoder. The new approach is designed to decrease the decoding latency and to reduce the FPGA logic utilisation. To accomplish the target logic utilisation reduction, the routing of the proposed sub-variable node (VN) internal memory is designed to utilize one slice distributed RAM. Furthermore, a VN initialization, using the channel input probability, is achieved to enhance the decoder convergence, without extra resources and without integrating the output saturated-counters. The Xilinx FPGA implementation, of IEEE 802.3an standard LDPC code, shows that the proposed decoding approach attain high performance along with reduction of FPGA logic utilisation.

Keywords: low-density parity-check (LDPC) decoder, stochastic decoding, field programmable gate array (FPGA), IEEE 802.3an standard

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2608 The Effect of Molecular Weight on the Cross-Linking of Two Different Molecular Weight LLDPE Samples

Authors: Ashkan Forootan, Reza Rashedi

Abstract:

Polyethylene has wide usage areas such as blow molding, pipe, film, cable insulation. However, regardless to its growing applications, it has some constraints such as the limited 70C operating temperature. Polyethylene thermo setting procedure whose molecules are knotted and 3D-molecular-network formed , is developed to conquer the above problem and to raise the applicable temperature of the polymer. This paper reports the cross-linking for two different molecular weight grades of LLDPE by adding 0.5, 1, and 2% of DCP (Dicumyl Peroxide). DCP was chosen for its prevalence among various cross-linking agents. Structural parameters such as molecular weight, melt flow index, comonomer, number of branches,etc. were obtained through the use of relative tests as Gel Permeation Chromatography and Fourier Transform Infra Red spectrometer. After calculating the percentage of gel content, properties of the pure and cross-linked samples were compared by thermal and mechanical analysis with DMTA and FTIR and the effects of cross-linking like viscous and elastic modulus were discussed by using various structural paprameters such as MFI, molecular weight, short chain branches, etc. Studies showed that cross-linked polymer, unlike the pure one, had a solid state with thermal mechanical properties in the range of 110 to 120C and this helped overcome the problem of using polyethylene in temperatures near the melting point.

Keywords: LLDPE, cross-link, structural parameters, DCP, DMTA, GPC

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2607 Multi-Agent System for Irrigation Using Fuzzy Logic Algorithm and Open Platform Communication Data Access

Authors: T. Wanyama, B. Far

Abstract:

Automatic irrigation systems usually conveniently protect landscape investment. While conventional irrigation systems are known to be inefficient, automated ones have the potential to optimize water usage. In fact, there is a new generation of irrigation systems that are smart in the sense that they monitor the weather, soil conditions, evaporation and plant water use, and automatically adjust the irrigation schedule. In this paper, we present an agent based smart irrigation system. The agents are built using a mix of commercial off the shelf software, including MATLAB, Microsoft Excel and KEPServer Ex5 OPC server, and custom written code. The Irrigation Scheduler Agent uses fuzzy logic to integrate the information that affect the irrigation schedule. In addition, the Multi-Agent system uses Open Platform Connectivity (OPC) technology to share data. OPC technology enables the Irrigation Scheduler Agent to communicate over the Internet, making the system scalable to a municipal or regional agent based water monitoring, management, and optimization system. Finally, this paper presents simulation and pilot installation test result that show the operational effectiveness of our system.

Keywords: community water usage, fuzzy logic, irrigation, multi-agent system

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2606 Cubical Representation of Prime and Essential Prime Implicants of Boolean Functions

Authors: Saurabh Rawat, Anushree Sah

Abstract:

K Maps are generally and ideally, thought to be simplest form for obtaining solution of Boolean equations. Cubical Representation of Boolean equations is an alternate pick to incur a solution, otherwise to be meted out with Truth Tables, Boolean Laws, and different traits of Karnaugh Maps. Largest possible k- cubes that exist for a given function are equivalent to its prime implicants. A technique of minimization of Logic functions is tried to be achieved through cubical methods. The main purpose is to make aware and utilise the advantages of cubical techniques in minimization of Logic functions. All this is done with an aim to achieve minimal cost solution.r

Keywords: K-maps, don’t care conditions, Boolean equations, cubes

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2605 Quantitative Structure–Activity Relationship Analysis of Some Benzimidazole Derivatives by Linear Multivariate Method

Authors: Strahinja Z. Kovačević, Lidija R. Jevrić, Sanja O. Podunavac Kuzmanović

Abstract:

The relationship between antibacterial activity of eighteen different substituted benzimidazole derivatives and their molecular characteristics was studied using chemometric QSAR (Quantitative Structure–Activity Relationships) approach. QSAR analysis has been carried out on inhibitory activity towards Staphylococcus aureus, by using molecular descriptors, as well as minimal inhibitory activity (MIC). Molecular descriptors were calculated from the optimized structures. Principal component analysis (PCA) followed by hierarchical cluster analysis (HCA) and multiple linear regression (MLR) was performed in order to select molecular descriptors that best describe the antibacterial behavior of the compounds investigated, and to determine the similarities between molecules. The HCA grouped the molecules in separated clusters which have the similar inhibitory activity. PCA showed very similar classification of molecules as the HCA, and displayed which descriptors contribute to that classification. MLR equations, that represent MIC as a function of the in silico molecular descriptors were established. The statistical significance of the estimated models was confirmed by standard statistical measures and cross-validation parameters (SD = 0.0816, F = 46.27, R = 0.9791, R2CV = 0.8266, R2adj = 0.9379, PRESS = 0.1116). These parameters indicate the possibility of application of the established chemometric models in prediction of the antibacterial behaviour of studied derivatives and structurally very similar compounds.

Keywords: antibacterial, benzimidazole, molecular descriptors, QSAR

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2604 The Yak of Thailand: Folk Icons Transcending Culture, Religion, and Media

Authors: David M. Lucas, Charles W. Jarrett

Abstract:

In the culture of Thailand, the Yak serve as a mediated icon representing strength, power, and mystical protection not only for the Buddha, but for population of worshipers. Originating from the forests of China, the Yak continue to stand guard at the gates of Buddhist temples. The Yak represents Thai culture in the hearts of Thai people. This paper presents a qualitative study regarding the curious mix of media, culture, and religion that projects the Yak of Thailand as a larger than life message throughout the political, cultural, and religious spheres. The gate guardians, or gods as they are sometimes called, appear throughout the religious temples of Asian cultures. However, the Asian cultures demonstrate differences in artistic renditions (or presentations) of such sentinels. Thailand gate guards (the Yak) stand in front of many Buddhist temples, and these iconic figures display unique features with varied symbolic significance. The temple (or wat), plays a vital role in every community; and, for many people, Thailand’s temples are the country’s most endearing sights. The authors applied folk-nography as a methodology to illustrate the importance of the Thai Yak in serving as meaningful icons that transcend not only time, but the culture, religion, and mass media. The Yak represent mythical, religious, artistic, cultural, and militaristic significance for the Thai people. Data collection included interviews, focus groups, and natural observations. This paper summarizes the perceptions of the Thai people concerning their gate sentries and the relationship, communication, connection, and the enduring respect that Thai people hold for their guardians of the gates.

Keywords: communication, culture, folknography, icon, image, media, protection, religion, yak

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2603 Molecular Interaction of Acetylcholinesterase with Flavonoids Involved in Neurodegenerative Diseases

Authors: W. Soufi, F. Boukli Hacene, S. Ghalem

Abstract:

Alzheimer's disease (AD) is a neurodegenerative disease that leads to a progressive and permanent deterioration of nerve cells. This disease is progressively accompanied by an intellectual deterioration leading to psychological manifestations and behavioral disorders that lead to a loss of autonomy. It is the most frequent of degenerative dementia. Alzheimer's disease (AD), which affects a growing number of people, has become a major public health problem in a few years. In the context of the study of the mechanisms governing the evolution of AD disease, we have found that natural flavonoids are good acetylcholinesterase inhibitors that reduce the rate of ßA secretion in neurons. This work is to study the inhibition of acetylcholinesterase (AChE) which is an enzyme involved in Alzheimer's disease, by methods of molecular modeling. These results will probably help in the development of an effective therapeutic tool in the fight against the development of Alzheimer's disease. Our goal of the research is to study the inhibition of acetylcholinesterase (AChE) by molecular modeling methods.

Keywords: Alzheimer's disease, acetylcholinesterase, flavonoids, molecular modeling

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2602 Consensus-Oriented Analysis Model for Knowledge Management Failure Evaluation in Uncertain Environment

Authors: Amir Ghasem Norouzi, Mahdi Zowghi

Abstract:

This study propose a framework based on the fuzzy T-Norms, T-conorm, a novel operator, and multi-expert approach to help organizations build awareness of the critical influential factors on the success of knowledge management (KM) implementation, analysis the failure of knowledge management. This study considers the complex uncertainty concept that is in knowledge management implementing capability (KMIC) and it is used by fuzzy logic for this reason. The contribution of our paper is shown with an empirical study in a nonprofit educational organization evaluation.

Keywords: fuzzy logic, knowledge management, multi expert analysis, consensus oriented average operator

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2601 Fuzzy Inference Based Modelling of Perception Reaction Time of Drivers

Authors: U. Chattaraj, K. Dhusiya, M. Raviteja

Abstract:

Perception reaction time of drivers is an outcome of human thought process, which is vague and approximate in nature and also varies from driver to driver. So, in this study a fuzzy logic based model for prediction of the same has been presented, which seems suitable. The control factors, like, age, experience, intensity of driving of the driver, speed of the vehicle and distance of stimulus have been considered as premise variables in the model, in which the perception reaction time is the consequence variable. Results show that the model is able to explain the impacts of the control factors on perception reaction time properly.

Keywords: driver, fuzzy logic, perception reaction time, premise variable

Procedia PDF Downloads 299