Search results for: molecular modeling

Authors: Si Chen, Caroline Wiltshire, Bin Li

Abstract:

This study statistically models the surface f0 contour and the underlying pitch target of a well-studied third sandhi tone of Mandarin Chinese. Although the growth curve analysis on the surface f0 contours indicates non-neutralization of this sandhi tone (T3) and the base T2, their underlying pitch targets do show neutralization. These results in Mandarin are also consistent with the perception of native speakers, where they cannot distinguish the third T3 from the base T2, compensating contextual variation. It is possible to use the proposed statistical procedure of testing underlying pitch targets to verify tone sandhi processes in other tonal languages.

Keywords: Growth curve analysis, tone sandhi, underlying pitch targets.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 974

Authors: G. Ait Abdelmalek, R. Ziani

Abstract:

In this document, we have proposed a robust conceptual strategy, in order to improve the robustness against the manufacturing defects and thus the reliability of logic CMOS circuits. However, in order to enable the use of future CMOS technology nodes this strategy combines various types of design: DFR (Design for Reliability), techniques of tolerance: hardware redundancy TMR (Triple Modular Redundancy) for hard error tolerance, the DFT (Design for Testability. The Results on largest ISCAS and ITC benchmark circuits show that our approach improves considerably the reliability, by reducing the key factors, the area costs and fault tolerance probability.

Keywords: Design for reliability, design for testability, fault tolerance, manufacturing yield.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2065

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

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2075

Authors: T. Arakawa, H. Sato

Abstract:

There are many drivers who feel right A pillar of Japanese right-hand-drive car preventing visibility on turning right or left at intersection. On the other hand, there is a report that almost pedestrian accident is caused by the delay of finding pedestrian by drivers and this is found by drivers’ eye movement. Thus, we developed the evaluation method of quantification using drivers’ eye movement data by least squares estimation and we applied this method to commercial vehicle and evaluation the visibility. It is suggested that visibility of vehicle can be quantified and estimated by linear model obtained from experimental eye fixation data and information of vehicle dimensions.

Keywords: Eye fixation, modeling, obstacle feeling, right A pillar.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1637

Authors: S. M. Abdur Razzak, M. A. Rashid, Y. Namihira, A. Sayeem

Abstract:

A simple microstructure optical fiber design based on an octagonal cladding structure is presented for simultaneously controlling dispersion and leakage properties. The finite difference method with anisotropic perfectly matched boundary layer is used to investigate the guiding properties. It is demonstrated that octagonal photonic crystal fibers with four rings can assume negative ultra-flattened dispersion of -19 + 0.23 ps/nm/km in the wavelength range of 1.275 μm to 1.68 μm, nearly zero ultra-flattened dispersion of 0 ± 0.40 ps/nm/km in a 1.38 to 1.64 μm, and low confinement losses less than 10-3 dB/km in the entire band of interest.

Keywords: Finite difference modeling, group velocity dispersion, optical fiber design, photonic crystal fiber.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1820

Authors: Chaw Su Mon

Abstract:

Abstract— The paper presents a preliminary study on modeling and estimation of basic wind speed ( extreme wind gusts ) for the consideration of vulnerability and design of building in Ayeyarwady Region. The establishment of appropriate design wind speeds is a critical step towards the calculation of design wind loads for structures. In this paper the extreme value analysis of this prediction work is based on the anemometer data (1970-2009) maintained by the department of meteorology and hydrology of Pathein. Statistical and probabilistic approaches are used to derive formulas for estimating 3-second gusts from recorded data (10-minute sustained mean wind speeds).

Keywords: Basic Wind Speed, Building, Gusts, Statistical and probabilistic approaches

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1279

Authors: Hyung T. Kwak, Jun Gao, Yao An, Alfred Kleinhammes, Yue Wu

Abstract:

Surface wettability is a crucial factor in oil recovery. In oil industry, the rock wettability involves the interplay between water, oil, and solid surface. Therefore, studying the interplay between adsorptions of water and hydrocarbon molecules on solid surface would be very informative for understanding rock wettability. Here we use the in-situ Nuclear Magnetic Resonance (NMR) gas isotherm technique to study competitive adsorptions of water and isopropanol, an intermediate step from hydrocarbons. This in-situ NMR technique obtains information on thermodynamic properties such as the isotherm, molecular dynamics via spin relaxation measurements, and adsorption kinetics such as how fast the system can reach thermal equilibrium after changes of vapor pressures. Using surfaces of silica glass beads, which can be modified from hydrophilic to hydrophobic, we obtained information on the influence of surface hydrophilicity on the state of surface water via obtained thermodynamic and dynamic properties.

Keywords: Competitive adsorption, nuclear magnetic resonance, wettability.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 728

Authors: Riki Mukhaiyar

Abstract:

The integration between technology of remote sensing, information from the data of digital image, and modeling technology for the simulation of water quality will provide easiness during the observation on the quality of water changes on the river surface. For example, Ciliwung River which is contaminated with non-point source pollutant from household wastes, particularly on its downstream. This fact informed that the quality of water in this river is getting worse. The land use for settlements and housing ranges between 62.84% - 81.26% on the downstream of Ciliwung River, give a significant picture in seeing factors that affected the water quality of Ciliwung River.

Keywords: Digital Image, Digitize, Landuse, Non-Point SourcePollutant, Qual2e Simulation

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1710

Authors: E. Diryak, P. Lefley, L. Petkovska, G. Cvetkovski

Abstract:

This paper presents the optimum design for a double stator, cup rotor machine; a novel type of BLDC PM Machine. The optimization approach is divided into two stages: the first stage is calculating the machine configuration using Matlab, and the second stage is the optimization of the machine using Finite Element Modeling (FEM). Under the design specifications, the machine model will be selected from three pole numbers, namely, 8, 10 and 12 with an appropriate slot number. A double stator brushless DC permanent magnet machine is designed to achieve low cogging torque; high electromagnetic torque and low ripple torque.

Keywords: Permanent magnet machine, low- cogging torque, low- ripple torque, high- electromagnetic torque, design optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2168

Authors: Nuraini Yusoff, Harun Budin, Salemah Ismail

Abstract:

Identifying parameters in an epidemic model is one of the important aspect of modeling. In this paper, we suggest a method to identify the transmission rate by using the multistage Adomian decomposition method. As a case study, we use the data of the reported dengue fever cases in the city of Shah Alam, Malaysia. The result obtained fairly represents the actual situation. However, in the SIR model, this method serves as an alternative in parameter identification and enables us to make necessary analysis for a smaller interval.

Keywords: dengue fever, multistage Adomian decomposition method, Shah Alam, SIR model

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2191

Authors: Konstantinos C. Giotopoulos, Christos E. Alexakos, Grigorios N. Beligiannis, Spiridon D.Likothanassis

Abstract:

In this contribution a newly developed elearning environment is presented, which incorporates Intelligent Agents and Computational Intelligence Techniques. The new e-learning environment is constituted by three parts, the E-learning platform Front-End, the Student Questioner Reasoning and the Student Model Agent. These parts are distributed geographically in dispersed computer servers, with main focus on the design and development of these subsystems through the use of new and emerging technologies. These parts are interconnected in an interoperable way, using web services for the integration of the subsystems, in order to enhance the user modelling procedure and achieve the goals of the learning process.

Keywords: E-learning environments, intelligent agents, user modeling, Bayesian Networks, computational intelligence.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1880

Authors: Mazhar B. Tayel, Amr H. Yassin

Abstract:

A proposed small-signal model parameters for a pseudomorphic high electron mobility transistor (PHEMT) is presented. Both extrinsic and intrinsic circuit elements of a smallsignal model are determined using genetic algorithm (GA) as a stochastic global search and optimization tool. The parameters extraction of the small-signal model is performed on 200-μm gate width AlGaAs/InGaAs PHEMT. The equivalent circuit elements for a proposed 18 elements model are determined directly from the measured S- parameters. The GA is used to extract the parameters of the proposed small-signal model from 0.5 up to 18 GHz.

Keywords: PHEMT, Genetic Algorithms, small signal modeling, optimization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2262

Authors: M. Y. Ismail, M. Inam

Abstract:

This paper presents equivalent circuit modeling of active planar reflectors which can be used for the detailed analysis and characterization of reflector performance in terms of lumped components. Equivalent circuit representation has been proposed for PIN diodes and liquid crystal based active planar reflectors designed within X-band frequency range. A very close agreement has been demonstrated between equivalent circuit results, 3D EM simulated results as well as measured scattering parameter results. In the case of measured results, a maximum discrepancy of 1.05dB was observed in the reflection loss performance, which can be attributed to the losses occurred during measurement process.

Keywords: Equivalent circuit modelling, planar reflectors, reflectarray antenna, PIN diode, liquid crystal.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1069

Authors: Danni Cong, Meiping Wu, Hua Mu, Xiaofeng He, Junxiang Lian, Juliang Cao, Shaokun Cai, Hao Qin

Abstract:

Gravity field is of great significance in geoscience, national economy and national security, and gravitational gradient measurement has been extensively studied due to its higher accuracy than gravity measurement. Gravity gradient sensor, being one of core devices of the gravity gradient instrument, plays a key role in measuring accuracy. Therefore, this paper starts from analyzing the working principle of the gravity gradient sensor by Newton’s law, and then considers the relative motion between inertial and non-inertial systems to build a relatively adequate mathematical model, laying a foundation for the measurement error calibration, measurement accuracy improvement.

Keywords: Gravity gradient, accelerometer, gravity gradient sensor, single-axis rotation modulation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1063

Authors: Pavan S., Sridhar G., Sridhar V.

Abstract:

Super resolution is one of the commonly referred inference problems in computer vision. In the case of images, this problem is generally addressed using a graphical model framework wherein each node represents a portion of the image and the edges between the nodes represent the statistical dependencies. However, the large dimensionality of images along with the large number of possible states for a node makes the inference problem computationally intractable. In this paper, we propose a representation wherein each node can be represented as acombination of multiple regression functions. The proposed approach achieves a tradeoff between the computational complexity and inference accuracy by varying the number of regression functions for a node.

Keywords: Belief propagation, Graphical model, Regression, Super resolution.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1547

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1364

Authors: S. Houssaini, L. Bahi

Abstract:

The motorway segment between Tangier and Oued R’mel has experienced, since the beginning of building works, significant instability and landslides linked to a number of geological, hydrogeological and geothermic factors affecting the different formations. The landslides observed are not fully understood, despite many studies conducted on this segment. This study aims at producing new methods to better explain the phenomena behind the landslides, taking into account the geotechnical and geothermic contexts. This analysis builds up on previous studies and geotechnical data collected in the field. The final body of data collected shall be processed through the Plaxis software for a better and customizable view of the landslide problems in the area, which will help tofind solutions and stabilize land in the area.

Keywords: Landslides, modeling, risk, stabilization.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2068

Authors: M. Honarpardaz, Z. Zhang, J. Derkx, A. Trangärd, J. Larsson

Abstract:

Pilot stages are one of the most common positioners and regulators in industry. In this paper, we present two novel concepts for pilot stages with low power consumption to regulate a pneumatic device. Pilot 1, first concept, is designed based on a conventional frame core electro-magnetic actuator and a leaf spring to control the air flow and pilot 2 has an axisymmetric actuator and spring made of non-oriented electrical steel. Concepts are simulated in a system modeling tool to study their dynamic behavior. Both concepts are prototyped and tested. Experimental results are comprehensively analyzed and compared. The most promising concept that consumes less than 8 mW is highlighted and presented.

Keywords: Electro-magnetic actuator, multidisciplinary system, low power consumption, pilot stage.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 967

Authors: Maria Giannopoulou

Abstract:

Open urban public spaces comprise an important element for the development of social, cultural and economic activities of the population in the modern cities. These spaces are also considered regulators of the region-s climate conditions, providing better thermal, visual and auditory conditions which can be optimized by the application of appropriate strategies of bioclimatic design. The paper focuses on the analysis and evaluation of the recent unification of the open spaces in the centre of Xanthi, a medium – size city in northern Greece, from a bioclimatic perspective, as well as in the creation of suitable methodology. It is based both on qualitative observation of the interventions by fieldwork research and assessment and on quantitative analysis and modeling of the research area.

Keywords: Bioclimatic principles, Quantitative analysis, Sustainability, TownScope III, Urban open spaces

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2791

Authors: Oleksandr Poliakov, Genadiy Olinichenko, Yevgen Pashkov, Vadym Kramar, Mykhaylo Kalinin

Abstract:

For maintenance of a spine stability during the postoperative period a transpedicular fixing of its elements is often used. Usually the transpedicular systems are formed of rods which as a result form a design of the frame type, fastening by screws to vertebras. Such design should be rigid and perceive loadings operating from the spine without essential deformations. From the perfection point of view of known designs their stress whole, and each of elements, in particular is of interest. In this study the modeling of the transpedicular screw is performed and estimation of its deformations taking into account interaction with a vertebra body having variable structure is made.

Keywords: Spine, screw, stress-strain state, transpedicular fixation system, vertebra

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1524

Authors: Markus Nordlund, Arkadiusz K. Kuczaj

Abstract:

Philip Morris International (PMI) is developing a range of novel tobacco products with the potential to reduce individual risk and population harm in comparison to smoking cigarettes. One of these products is the Tobacco Heating System 2.2 (THS 2.2), (named as the Electrically Heated Tobacco System (EHTS) in this paper), already commercialized in a number of countries (e.g., Japan, Italy, Switzerland, Russia, Portugal and Romania). During use, the patented EHTS heats a specifically designed tobacco product (Electrically Heated Tobacco Product (EHTP)) when inserted into a Holder (heating device). The EHTP contains tobacco material in the form of a porous plug that undergoes a controlled heating process to release chemical compounds into vapors, from which an aerosol is formed during cooling. The aim of this work was to investigate the aerosol formation characteristics for realistic operating conditions of the EHTS as well as for relevant gas mixture compositions measured in the EHTP aerosol consisting mostly of water, glycerol and nicotine, but also other compounds at much lower concentrations. The nucleation process taking place in the EHTP during use when operated in the Holder has therefore been modeled numerically using an extended Classical Nucleation Theory (CNT) for multicomponent gas mixtures. Results from the performed simulations demonstrate that aerosol droplets are formed only in the presence of an aerosol former being mainly glycerol. Minor compounds in the gas mixture were not able to reach a supersaturated state alone and therefore could not generate aerosol droplets from the multicomponent gas mixture at the operating conditions simulated. For the analytically characterized aerosol composition and estimated operating conditions of the EHTS and EHTP, glycerol was shown to be the main aerosol former triggering the nucleation process in the EHTP. This implies that according to the CNT, an aerosol former, such as glycerol needs to be present in the gas mixture for an aerosol to form under the tested operating conditions. To assess if these conclusions are sensitive to the initial amount of the minor compounds and to include and represent the total mass of the aerosol collected during the analytical aerosol characterization, simulations were carried out with initial masses of the minor compounds increased by as much as a factor of 500. Despite this extreme condition, no aerosol droplets were generated when glycerol, nicotine and water were treated as inert species and therefore not actively contributing to the nucleation process. This implies that according to the CNT, an aerosol cannot be generated without the help of an aerosol former, from the multicomponent gas mixtures at the compositions and operating conditions estimated for the EHTP, even if all minor compounds are released or generated in a single puff.

Keywords: Aerosol, Classical Nucleation Theory (CNT), Electrically Heated Tobacco Product (EHTP), Electrically Heated Tobacco System (EHTS), modeling, multicomponent, nucleation.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2441

Authors: Hosein Shokohmand, Mahmood Hosein Zare, Abdorreza Qolibeik

Abstract:

In this paper, the effects of thermodynamic, hydrodynamic and geometric of an air cooled condenser on COP of vapor compression cycle are investigated for a fixed condenser facing surface area. The system is utilized with a scroll compressor, modeled based on thermodynamic and heat transfer equations employing Matlab software. The working refrigerant is R134a whose thermodynamic properties are called from Engineering Equation Software. This simulation shows that vapor compression cycle can be designed by different configurations and COPs, economical and optimum working condition can be obtained via considering these parameters.

Keywords: Vapor compression cycle, air cooled condenser, COP, heat exchanger, thermal modeling.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1964

Authors: Meftah Ali

Abstract:

This article aims to analyze the static stability and pseudostatic slope by using different methods such as: Bishop method, Junbu, Ordinary, Morgenstern-price and GLE. The two dimensional modeling of slope stability under various loading as: the earthquake effect, the water level and road mobile charges. The results show that the slope is stable in the static case without water, but in other cases, the slope lost its stability and give unstable. The calculation of safety factor is to evaluate the stability of the slope using the limit equilibrium method despite the difference between the results obtained by these methods that do not rely on the same assumptions. In the end, the results of this study illuminate well the influence of the action of water, moving loads and the earthquake on the stability of the slope.

Keywords: Slope stability, pseudo static, safety factor, limit equilibrium.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 3361

Authors: Priyanka Gupta, Paul Verma, Kerry Hourigan, Jayesh Bellare, Sameer Jadhav

Abstract:

Understanding the consumption and production of various metabolites of fibroblast conditioned media is needed for its proper and optimized use in expansion of pluripotent stem cells. For this purpose, we have used the HPLC method to analyse the consumption of glucose and the production of lactate over time by mouse embryonic fibroblasts. The experimental data have also been compared with mathematical model fits. 0.025 moles of lactate was produced after 72 hrs while the glucose concentration decreased from 0.017 moles to 0.011 moles. The mathematical model was able to predict the trends of glucose consumption and lactate production.

Keywords: Conditioned media, HPLC, metabolite analysis, mouse embryonic fibroblast.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2615

Authors: K. Shoylekova, K. Grigorova

Abstract:

The Petri nets are the first standard for business process modeling. Most probably, it is one of the core reasons why all new standards created afterwards have to be so reformed as to reach the stage of mapping the new standard onto Petri nets. The paper presents a business process repository based on a universal database. The repository provides the possibility the data about a given process to be stored in three different ways. Business process repository is developed with regard to the reformation of a given model to a Petri net in order to be easily simulated. Two different techniques for business process simulation based on Petri nets - Yasper and Woflan are discussed. Their advantages and drawbacks are outlined. The way of simulating business process models, stored in the Business process repository is shown.

Keywords: Business process repository, Petri nets, Simulation, Woflan, Yasper.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2066

Authors: Saeed H. Nasiri, Rahim Faez, Bita Davoodi, Maryam Farrokhi

Abstract:

Bode stability analysis based on transmission line modeling (TLM) for single wall carbon nanotube (SWCNT) interconnects used in 3D-VLSI circuits is investigated for the first time. In this analysis, the dependence of the degree of relative stability for SWCNT interconnects on the geometry of each tube has been acquired. It is shown that, increasing the length and diameter of each tube, SWCNT interconnects become more stable.

Keywords: Bode stability criterion, Interconnects, Interlayer via, Single wall carbon nanotubes, Transmission line method, Time domain analysis

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1831

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

Abstract:

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1769

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.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1650

Authors: K. Santacruz-Gomez, E. Silva-Campa, S. Álvarez-García, V. Mata-Haro, D. Soto-Puebla, M. Pedroza-Montero

Abstract:

Blood gamma irradiation is the only available method to prevent transfusion associated graft versus host disease (TAGVHD). However, when blood is irradiated, determine blood shelf time is crucial. Non irradiated blood have a self-time from 21 to 35 days when is preserved with anticoagulated solution and stored at 4°C. During their storage, red blood cells (RBC) undergo a series of biochemical, biomechanical and molecular changes involving what is known as storage lesion (SL). SL include loss of structural integrity of RBC, decrease of 2,3-diphosphatidylglyceric acid levels, and increase of both ion potassium concentration and hemoglobin (Hb). On the other hand, Atomic force Microscopy (AFM) represents a versatile tool for a nano-scale high resolution topographic analysis in biological systems. In order to evaluate SL in irradiated and nonirradiated blood, RBC topography and morphometric parameters were obtained from an AFM XE-BIO system. Cell viability was followed using flow cytometry. Our results showed that early markers as nanoscale roughness, allow us to evaluate blood quality since other perspective.

Keywords: AFM, Blood γ-irradiation, roughness, Storage lesion.

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 2697

Authors: Miodrag T. Manić, Dejan I. Tanikić, Miloš S. Stojković, Dalibor M. ðenadić

Abstract:

The design of technological procedures for manufacturing certain products demands the definition and optimization of technological process parameters. Their determination depends on the model of the process itself and its complexity. Certain processes do not have an adequate mathematical model, thus they are modeled using heuristic methods. First part of this paper presents a state of the art of using soft computing techniques in manufacturing processes from the perspective of applicability in modern CAx systems. Methods of artificial intelligence which can be used for this purpose are analyzed. The second part of this paper shows some of the developed models of certain processes, as well as their applicability in the actual calculation of parameters of some technological processes within the design system from the viewpoint of productivity.

Keywords: fuzzy logic, manufacturing, neural networks

Procedia APA BibTeX Chicago EndNote Harvard JSON MLA RIS XML ISO 690 PDF Downloads 1910