Search results for: protein-protein interactions

Authors: A. Vairis, M. Petousis, B. Kandyla, C. Chrisoulakis

Abstract:

The human knee joint has a three dimensional geometry with multiple body articulations that produce complex mechanical responses under loads that occur in everyday life and sports activities. To produce the necessary joint compliance and stability for optimal daily function various menisci and ligaments are present while muscle forces are used to this effect. Therefore, knowledge of the complex mechanical interactions of these load bearing structures is necessary when treatment of relevant diseases is evaluated and assisting devices are designed. Numerical tools such as finite element analysis are suitable for modeling such joints in order to understand their physics. They have been used in the current study to develop an accurate human knee joint and model its mechanical behavior. To evaluate the efficacy of this articulated model, static load cases were used for comparison purposes with previous experimentally verified modeling works drawn from literature.

Keywords: biomechanics, finite element modeling, knee joint

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Authors: D. Lingam, D. R. Seenivasagam, P. Chand, C. Yee, J. Chief, R. Ananthanarayanan

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In a post-pandemic workspace, identifying the barriers, solutions, and strategies related to telecommuting becomes crucial. Amidst the COVID-19 outbreak in 2020, remote work emerged as a vital business continuity measure. This study investigates telecommuting’s modern work model, exploring benefits and obstacles. Utilizing Interpretive Structural Modelling, it uncovers barriers hindering telecommuting adoption. A validated set of thirteen barriers is examined through departmental surveys, revealing interrelationships. The resulting model highlights interactions and dependencies, forming a foundational framework. By addressing dominant barriers, a domino effect on subservient barriers is demonstrated. This research fosters further exploration, proposing management strategies for successful telecommuting adoption, reshaping the traditional workspace.

Keywords: Barriers, interpretive structural modelling, post-pandemic, telecommuting.

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Authors: Tarun Chand, Michael Jurczyk

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With the increasing need and popularity of IoT devices and how integrated they are becoming in our daily lives and industries; these devices make for a very lucrative target for malicious actors. And since these devices have such limited resources, the implementation of robust security features is a tradeoff to be made for the actual functionality the device was intended for. This makes them an easy target with high returns. Several frameworks for the secure firmware update of these devices have been recently proposed in the literature. They focus on methods such as blockchains and distributed file systems to secure firmware updates, but do not go into the details of the actual implementation of these frameworks and the lower-level interactions among these methods used. This work integrates some of these security measures into one overall framework and details the actual lower-level implementation of this framework in a virtual dockerized testbed running on AWS.

Keywords: Blockchain, Ethereum, Geth, IPFS, secure IoT-firmware update, virtual testbed development

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Authors: Mohammed Alkahtani, Ali Ahmad, Saber Darmoul, Shatha Samman, Ayoub Al-zabidi, Khaled Ba Matraf

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Education systems are complex and involve interactions between humans (teachers and students); media based technologies, lectures, classrooms, etc. to provide educational services. The education system performance is characterized by how well students learn, which is measured using student grades on exams and quizzes, achievements on standardized tests, among others. Advances in portable communications technologies, such as mobile phones, tablets, and laptops, created a different type of classroom, where students seem to engage in more than just the intended learning activities. The performance of more than one task in parallel or in rapid transition is commonly known as multitasking. Several operations in educational systems are performed simultaneously, resulting in a multitasking education environment. This paper surveys existing research on multitasking in educational settings, summarizes literature findings, provides a synthesis of the impact of multitasking on performance, and identifies directions of future research.

Keywords: Education systems, GPA, multitasking, performance.

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Authors: Xiaoli Shen, Yuehui Chen

Abstract:

Interactions among proteins are the basis of various life events. So, it is important to recognize and research protein interaction sites. A control set that contains 149 protein molecules were used here. Then 10 features were extracted and 4 sample sets that contained 9 sliding windows were made according to features. These 4 sample sets were calculated by Radial Basis Functional neutral networks which were optimized by Particle Swarm Optimization respectively. Then 4 groups of results were obtained. Finally, these 4 groups of results were integrated by decision fusion (DF) and Genetic Algorithm based Selected Ensemble (GASEN). A better accuracy was got by DF and GASEN. So, the integrated methods were proved to be effective.

Keywords: protein interaction sites, features, sliding windows, radial basis functional neutral networks, genetic algorithm basedselected ensemble.

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Authors: S. Kazemzadeh Hannani, A. Azimi, S. Nikoofard

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To simulate heating systems in buildings, a research oriented computer code has been developed in Sharif University of Technology in Iran where the climate, existing heating equipment in buildings, consumer behavior and their interactions are considered for simulating energy consumption in conventional systems such as heaters, radiators and fan-coils. In order to validate the computer code, the available data of five buildings was used and the computed consumed energy was compared with the estimated energy extracted from monthly bills. The initial heating system was replaced by the alternative system and the effect of this change was observed on the energy consumption. As a result, the effect of changing heating equipment on energy consumption was investigated in different climates. Changing heater to radiator renders energy conservation up to 50% in all climates and changing radiator to fan-coil decreases energy consumption in climates with cold and dry winter.

Keywords: Energy consumption, heating system, energy simulation.

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Authors: S. Kazemzadeh Hannani, A. Azimi, S. Nikoofard

Abstract:

To simulate heating systems in buildings, a research oriented computer code has been developed in Sharif University of Technology in Iran where the climate, existing heating equipment in buildings, consumer behavior and their interactions are considered for simulating energy consumption in conventional systems such as heaters, radiators and fan-coils. In order to validate the computer code, the available data of five buildings was used and the computed consumed energy was compared with the estimated energy extracted from monthly bills. The initial heating system was replaced by the alternative system and the effect of this change was observed on the energy consumption. As a result, the effect of changing heating equipment on energy consumption was investigated in different climates. Changing heater to radiator renders energy conservation up to 50% in all climates and changing radiator to fan-coil decreases energy consumption in climates with cold and dry winter.

Keywords: Energy consumption, heating system, energy simulation.

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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: Salem El-tohami Ashoor

Abstract:

A novel new vanadium (IV) complexes incorporating the chelating diamido cyclopentadienyl {ArN(CH₂)₃NAr)}^2-((ηⁿ-Cp)Cp)} (Ar = 2,6-Prⁱ₂C₆H₃)(Cp = C₅H₅ and n = 1,2,3,4 and 5) have been studied with calculation of the properties of species involved in various of cyclopentadienyl reaction. 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 [V(ArN(CH₂)₃NAr)₂Cl(η⁵-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) was found to be thermally more stable than others of vanadium cyclopentadienyl. In the meantime the complex [V(ArN(CH₂)₃NAr)₂Cl(η¹-Cp)] (Ar = 2,6-Prⁱ₂C₆H₃ and Cp= C₅H₅) which is showed a low thermal stability in case of the just one carbon of cyclopentadienyl can be insertion with vanadium metal centre. 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: Vanadium(IV) cyclopentadienyl complexes, DFT, MO, HOMO, LUMO.

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Authors: Nazira Kakulia, Tsotne Zhghenti

Abstract:

The institutional development is one of the actual topics in economics science. New trends and directions of institutional development mostly depend on its structure and framework. Transformation of institutions is an important problem for every economy, especially for developing countries. The first research goal is to determine the importance and interactions between different institutions in Georgia. Using World Governance Indicators and Economic Freedom indexes it can be calculated the size for each institutional group. The second aim of this research is to evaluate Georgian institutional backwardness in comparison to other post-communist economies. We use statistical and econometric methods to evaluate the difference between the levels of institutional development in Georgia and in leading post-communist economies. Within the scope of this research, major findings are coefficients which are an assessment of their deviation (i.e. lag) of institutional indicators between Georgia and leading post-communist country which should be compared. The last part of the article includes analysis around the selected coefficients.

Keywords: Post-communist transition, institutions, economic growth, institutional development.

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Authors: Wen Huei Chou, Yi-Ting Chen

Abstract:

Individuals with Autism Spectrum Disorder (ASD) often struggle with social interactions and communication. It is challenging for them to understand social cues such as facial expressions, body language, and tone of voice in social settings, leading to social conflicts and misunderstandings. Over time, feelings of frustration and anxiety can make them reluctant to engage in social situations and worsen their communication barriers. This study focused on children with autism who also experience social anxiety. Through focus group interviews with parents of children with autism and occupational therapists, it explores the reasons and scenarios behind the development of social anxiety in these children. Social scenario stories and interactive applications tailored for children with autism were designed and developed. In addition, working with the educational robots, coping strategies for various emotional situations were elaborated on, and children were helped to understand their emotions.

Keywords: Autism spectrum disorder, social anxiety, robot, social scenario story, interactive applications.

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Authors: Khawtar Hasan Ahmed, Sasha Omanovic

Abstract:

Polarization modulation infrared reflection absorption spectroscopy (PM-IRRAS) in combination with electrochemistry, was employed to study the influence of surface charge (potential) on the kinetics of bovine serum albumin (BSA) adsorption on a biomedical-grade 316LVM stainless steel surface is discussed. The BSA adsorption kinetics was found to greatly depend on the surface potential. With an increase in surface potential towards more negative values, both the BSA initial adsorption rate and the equilibrium (saturated) surface concentration also increased. Both effects were explained on the basis of replacement of well-ordered water molecules at the 316LVM / solution interface, i.e. by the increase in entropy of the system.

Keywords: adsorption, biomedical grade stainless steel, bovine serum albumin (BSA), electrode surface potential / charge, kinetics, PM-IRRAS, protein/surface interactions

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Authors: Mami Sugiura, Shinichi Arakawa, Masayuki Murata, Satoshi Imai, Toru Katagiri, Motoyoshi Sekiya

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API (Application Programming Interface) economy, where many participants join/interact and form the economy, is expected to increase collaboration between information services through API, and thereby, it is expected to increase market value from the service collaborations. In this paper, we introduce API evaluators, which are the activator of API economy by reviewing and/or evaluating APIs, and develop a multi-sided API economy model that formulates interactions among platform provider, API developers, consumers, and API evaluators. By obtaining the equilibrium that maximizes utility of all participants, the impact of API evaluators on the utility of participants in the API economy is revealed. Numerical results show that, with the existence of API evaluators, the number of developers and consumers increase by 1.5% and the utility of platformer increases by 2.3%. We also discuss the strategies of platform provider to maximize its utility under the existence of API evaluators.

Keywords: API economy, multi-sided markets, API evaluator, platform, platform provider.

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Authors: S. Sarkar, R. Mandal

Abstract:

The three-dimensional incompressible flow past a rectangular open cavity is investigated, where the aspect ratio of the cavity is considered as 4. The principle objective is to use large-eddy simulation to resolve and control the large-scale structures, which are largely responsible for flow oscillations in a cavity. The flow past an open cavity is very common in aerospace applications and can be a cause of acoustic source due to hydrodynamic instability of the shear layer and its interactions with the downstream edge. The unsteady Navier-stokes equations have been solved on a staggered mesh using a symmetry-preserving central difference scheme. Synthetic jet has been used as an active control to suppress the cavity oscillations in wake mode for a Reynolds number of ReD = 3360. The effect of synthetic jet has been studied by varying the jet amplitude and frequency, which is placed at the upstream wall of the cavity. The study indicates that there exits a frequency band, which is larger than a critical value, is effective in attenuating cavity oscillations when blowing ratio is more than 1.0.

Keywords: Cavity oscillation, Large Eddy Simulation, Synthetic Jet, Flow Control, Turbulence

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Authors: Li Long, Thomas Ortlepp

Abstract:

The transport properties of carriers in polycrystalline silicon film affect the performance of polycrystalline silicon-based devices. They depend strongly on the grain structure, grain boundary trap properties and doping concentration, which in turn are determined by the film deposition and processing conditions. Based on the properties of charge carriers, phonons, grain boundaries and their interactions, the thermoelectric properties of polycrystalline silicon are analyzed with the relaxation time approximation of the Boltzmann transport equation. With this approach, thermal conductivity, electrical conductivity and Seebeck coefficient as a function of grain size, trap properties and doping concentration can be determined. Experiment on heavily doped polycrystalline silicon is carried out and measurement results are compared with the model.

Keywords: Conductivity, polycrystalline silicon, relaxation time approximation, Seebeck coefficient, thermoelectric property.

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Authors: B. K. Gill, Himani Sharma, V. K. Rattan

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Experimental data of refractive index, excess molar volume and viscosity of binary mixture of morpholine with cumene over the whole composition range at 298.15 K, 303.15 K, 308.15 K and normal atmospheric pressure have been measured. The experimental data were used to compute the density, deviation in molar refraction, deviation in viscosity and excess Gibbs free energy of activation as a function of composition. The experimental viscosity data have been correlated with empirical equations like Grunberg- Nissan, Herric correlation and three body McAllister’s equation. The excess thermodynamic properties were fitted to Redlich-Kister polynomial equation. The variation of these properties with composition and temperature of the binary mixtures are discussed in terms of intermolecular interactions.

Keywords: Cumene, excess Gibbs free energy, excess molar volume, morpholine.

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Authors: Z. A. C. Saffry, D. L. Majid, N. H. M. Haidzir

Abstract:

In aerospace applications, interactions of airflow with aircraft structures can result in undesirable structural deformations. This structural deformation in turn, can be predicted if the natural modes of the structure are known. This can be achieved through conventional modal testing that requires a known excitation force in order to extract these dynamic properties. This technique can be experimentally complex because of the need for artificial excitation and it is also does not represent actual operational condition. The current work presents part of research work that address the practical implementation of operational modal analysis (OMA) applied to a cantilevered hybrid composite plate employing single contactless sensing system via laser vibrometer. OMA technique extracts the modal parameters based only on the measurements of the dynamic response. The OMA results were verified with impact hammer modal testing and good agreement was obtained.

Keywords: Hybrid Kevlar composite, Laser Vibrometer, modal parameters, Operational Modal Analysis.

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Authors: Shahrol Mohamaddan, Keith Case, Ana Sakura Zainal Abidin

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Human movement in the real world provides important information for developing human behaviour models and simulations. However, it is difficult to assess ‘real’ human behaviour since there is no established method available. As part of the AUNTSUE (Accessibility and User Needs in Transport – Sustainable Urban Environments) project, this research aimed to propose a method to assess human movement and behaviour in crowded areas. The method is based on the three major steps of video recording, conceptual behavior modelling and video analysis. The focus is on individual human movement and behaviour in normal situations (panic situations are not considered) and the interactions between individuals in localized areas. Emphasis is placed on gaining knowledge of characteristics of human movement and behaviour in the real world that can be modelled in the virtual environment.

Keywords: Video observation, Human movement, Behaviour, Crowds, Ergonomics, AUNT-SUE

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Authors: Sadhana Ghnayiem

Abstract:

This article deals with the issue of effective communication between parents and children and its impact on the family in general and on the child in particular. The aim of this article is to provide information to parents, students, anyone interested in family communication between parents and children, and to provide them with tools to deal with barriers to communication in the family unit. The article presented a literature review of the importance of effective communication in the family, the definition of the concept of communication, and was a reference to factors and barriers in communication between parents and children leading to conflict destructive to the extent that barriers to effective communication in the family unit. At the end of the article, strategies were introduced to motivate children to behave appropriately, and to equip parents best to foster the healthy development of their children when they can create an atmosphere of effective communication. From the literature review, it's found that effective communication between parents and children prevents problematic behavior and helps children understand how to communicate effectively with others. Communication between parents and children is the cornerstone of a happy family life and is the basis for positive interactions between parents and children and increases self-esteem in children.

Keywords: Children, communication, conflict, family.

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Authors: Darren Zou

Abstract:

Forecasting the stock market is a very challenging task. Various economic indicators such as GDP, exchange rates, interest rates, and unemployment have a substantial impact on the stock market. Time series models are the traditional methods used to predict stock market changes. In this paper, a machine learning method, Bayesian Additive Regression Tree (BART) is used in predicting stock market indexes based on multiple economic indicators. BART can be used to model heterogeneous treatment effects, and thereby works well when models are misspecified. It also has the capability to handle non-linear main effects and multi-way interactions without much input from financial analysts. In this research, BART is proposed to provide a reliable prediction on day-to-day stock market activities. By comparing the analysis results from BART and with time series method, BART can perform well and has better prediction capability than the traditional methods.

Keywords: Bayesian, Forecast, Stock, BART.

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Authors: Jianjun Yuan, Changjun Jiang

Abstract:

Pairwise testing, which requires that every combination of valid values of each pair of system factors be covered by at lease one test case, plays an important role in software testing since many faults are caused by unexpected 2-way interactions among system factors. Although meta-heuristic strategies like simulated annealing can generally discover smaller pairwise test suite, they may cost more time to perform search, compared with greedy algorithms. We propose a new method, improved Extremal Optimization (EO) based on the Bak-Sneppen (BS) model of biological evolution, for constructing pairwise test suites and define fitness function according to the requirement of improved EO. Experimental results show that improved EO gives similar size of resulting pairwise test suite and yields an 85% reduction in solution time over SA.

Keywords: Covering Arrays, Extremal Optimization, Simulated Annealing, Software Testing.

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Authors: Venkata Ravi Kumar Veluru, Tej Kumar Karki

Abstract:

Indian traditional neighbourhoods are socially active and sometimes intrusive communities, which are losing their qualities due to Western influences, undermining the traditional Indian values by blind adaption of neighbourhood concepts since the western scale is not suitable to the Indian context. The main aim is to understand the qualities of Indian traditional neighbourhoods by evaluating a traditional neighbourhood of Jaipur, and comparing it with the modern planned neighbourhood of Chandigarh, (designed by a foreign planner, in the neighbourhood concept of the Western world), to find out the special qualities of traditional Indian neighbourhoods as compared to Western concepts based on social spaces, using methods such as physical observation of selected neighbourhoods and residents structured perception survey. A combined analysis found that social spaces are abundantly available in traditional neighbourhoods which are missing in modern neighbourhoods. The quality of traditional neighbourhoods is interactions that aim toward the formation of social capital. The qualities of traditional neighbourhoods have to be considered while designing new neighbourhoods in India.

Keywords: Indian Neighbourhoods, modern neighbourhoods, neighbourhood planning, social spaces, traditional neighbourhoods.

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Authors: G. F. Guimarães, A. R. de Faria, R. R. Rego, A. L. R. D’Oliveira

Abstract:

One of the most relevant phenomena in manufacturing is the residual stress state development through the manufacturing chain. In most cases, the residual stresses have their origin in the heterogenous plastification produced by the processes. Although a few manufacturing processes have been successfully approached by numerical modeling, there is still lack of understanding on how these processes' interactions will affect the final stress state. The objective of this work is to analyze the effect of the grinding procedure on the residual stress state generated by a quasi-static indentation. The model consists in a simplified approach of shot peening, modeling four cases with variations in indenter size and force. This model was validated through topography, measured by optical 3D focus-variation. The indentation model configured with two loads was then exposed to two grinding procedures and the result was analyzed. It was observed that the grinding procedure will have a significant effect on the stress state.

Keywords: plasticity, residual stress, finite element method, manufacturing

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Authors: Yongyoon Suh, Yongtae Park

Abstract:

The interaction among information and communication technology (ICT) industries is a recently ubiquitous phenomenon through fixed-mobile integration. To monitor the impact of interaction, previous research has mainly focused on measuring spillover effect among ICT industries using various methods. Among others, inter-industry analysis is one of the useful methods for examining spillover effect between industries. However, more complex ICT industries become, more important the impact within an industry is. Inter-industry analysis is limited in mirroring intra-relationships within an industry. Thus, this study applies the analytic network process (ANP) to measure the spillover effect, capturing all of the intra and inter-relationships. Using ANP-based intra and inter-industry analysis, the spillover effect is effectively measured, mirroring the complex structure of ICT industries. A main ICT industry and its linkages are also explored to show the current structure of ICT industries. The proposed approach is expected to allow policy makers to understand interactions of ICT industries and their impact.

Keywords: ANP, intra and inter-industry analysis, spillover effect

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Authors: Jayashree Ramana

Abstract:

An alarming emergence of multidrug-resistant strains of the tuberculosis pathogen Mycobacterium tuberculosis and continuing high worldwide incidence of tuberculosis has invigorated the search for novel drug targets. The enzyme glutamate racemase (MurI) in bacteria catalyzes the stereoconversion of L-glutamate to D-glutamate which is a component of the peptidoglycan cell wall of the bacterium. The inhibitors targeted against MurI from several bacterial species have been patented and are advocated as promising antibacterial agents. However there are none available against MurI from Mycobacterium tuberculosis, due to the lack of its threedimensional structure. This work accomplished two major objectives. First, the tertiary structure of MtMurI was deduced computationally through homology modeling using the templates from bacterial homologues. It is speculated that like in other Gram-positive bacteria, MtMurI exists as a dimer and many of the protein interactions at the dimer interface are also conserved. Second, potent candidate inhibitors against MtMurI were identified through docking against already known inhibitors in other organisms.

Keywords: Glutamate racemase, homology modeling, docking, drug resistance.

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Authors: Ilias Spais, George Bafas

Abstract:

Natural Language Understanding Systems (NLU) will not be widely deployed unless they are technically mature and cost effective to develop. Cost effective development hinges on the availability of tools and techniques enabling the rapid production of NLU applications through minimal human resources. Further, these tools and techniques should allow quick development of applications in a user friendly way and should be easy to upgrade in order to continuously follow the evolving technologies and standards. This paper presents a visual tool for the structuring and editing of dialog forms, the key element of driving conversation in NLU applications based on IBM technology. The main focus is given on the basic component used to describe Human – Machine interactions of that kind, the Dialogue Manager. In essence, the description of a tool that enables the visual representation of the Dialogue Manager mainly during the implementation phase is illustrated.

Keywords: Conversational Applications, Forms Dialogue Manager (FDM), Natural Language Processing, Natural Language Understanding.

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Authors: Mahmoud M. Tash, S. Alkahtani

Abstract:

The present study was undertaken to investigate the effect of pre-aging and aging parameters (time and temperature) on the mechanical properties of Al-Mg-Zn (7075) alloys. Ultimate tensile strength, 0.5% offset yield strength and % elongation measurements were carried out on specimens prepared from cast and heat treated 7075 alloys. Aging treatments were carried out for the as solution treated (SHT) specimens (after quenching in warm water). The specimens were aged at different conditions; Natural aging was carried out at room temperature for different periods of time. Double aging was performed for SHT conditions (pre-aged at different time and temperature followed by high temperature aging). Ultimate tensile strength, yield strength and % elongation as a function of different pre-aging and aging parameters are analyzed to acquire an understanding of the effects of these variables and their interactions on the mechanical properties of Be-treated 7075 alloys.

Keywords: Duplex Aging Treatment, Mechanical Properties, Al-Mg-Zn (7075) alloys.

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Authors: Virupakshaiah DBM, Madiha Ahmed, Smita T. Patil, Chandrakanth Kelmani

Abstract:

Tuberculosis (TB) is a bacterial infectious disease caused by the obligate human pathogen, Mycobacterium tuberculosis. Multidrug-resistant tuberculosis (MDR-TB) is a global reality that threatens tuberculosis control. Resistance to antibiotic Rifampicin, occurs in 95% of cases through nucleotide substitutions in an 81-bp core region of the rpoB i.e; beta subunit of DNA dependant RNA polymerase. In this paper, we studied the Rifampicin-rpoB receptor interactions In silico. First, homology modeling was performed to obtain the three dimensional structure of Mycobacterium rpoB. Sixty analogs of Rifampicin were prepared using Marvin sketch software. Both original Rifampicin and the analogs were docked with rpoB and energy values were obtained. Out of sixty analogs, 43 analogs had lesser energy values than conventional Rifampicin and hence are predicted to have greater binding affinity to rpoB. Thus, this study offers a route for the development of Rifampicin analogs against multi drug resistant Mycobacterium rpoB.

Keywords: Marvin Sketch, Mycobacterium tuberculosis, Rifampicin, rpoB.

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Authors: H. Barati, M. Wu, A. Kharicha, A. Ludwig

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A transient model for nozzle clogging has been developed and successfully validated against a laboratory experiment. Key steps of clogging are considered: transport of particles by turbulent flow towards the nozzle wall; interactions between fluid flow and nozzle wall, and the adhesion of the particle on the wall; the growth of the clog layer and its interaction with the flow. The current paper is to investigate the mesh (size and type) sensitivity of the model in both two and three dimensions. It is found that the algorithm for clog growth alone excluding the flow effect is insensitive to the mesh type and size, but the calculation including flow becomes sensitive to the mesh quality. The use of 2D meshes leads to overestimation of the clog growth because the 3D nature of flow in the boundary layer cannot be properly solved by 2D calculation. 3D simulation with tetrahedron mesh can also lead to an error estimation of the clog growth. A mesh-independent result can be achieved with hexahedral mesh, or at least with triangular prism (inflation layer) for near-wall regions.

Keywords: Clogging, nozzle, numerical model, simulation.

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Authors: Ibrahim Naeimifar, Omid Naeemifar

Abstract:

Evaluation of the excavation-induced ground movements is an important design aspect of support systems in urban areas. Geological and geotechnical conditions of an excavation area have significant effects on excavation-induced ground movements and the related damage. This paper is aimed at studying the performance of excavation walls supported by nails in jointed rock medium. The performance of nailed walls is investigated based on evaluating the excavation-induced ground movements. For this purpose, a set of calibrated 2D finite element models are developed by taking into account the nail-rock-structure interactions, the anisotropic properties of jointed rock, and the staged construction process. The results of this paper highlight effects of different parameters such as joint inclinations, anisotropy of rocks and nail inclinations on deformation parameters of excavation wall supported by nails.

Keywords: Finite element, jointed rock, nailing, performance.

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