Search results for: theoretical chemistry

Authors: S. Perera, T. R. Walsh, M. Solvang

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The structure-property relationships of calcium aluminosilicate (CAS) glass surfaces are of scientific and technological interest regarding dissolution phenomena. Molecular dynamics (MD) simulations can provide atomic-scale insights into the structure and properties of the CAS interfaces in vacuo as the first step to conducting computational dissolution studies on CAS surfaces. However, one limitation to date is that although the bulk properties of CAS glasses have been well studied by MD simulation, corresponding efforts on CAS surface properties are relatively few in number (both theoretical and experimental). Here, a systematic computational protocol to create CAS surfaces in vacuo is developed by evaluating the sensitivity of the resultant surface structure with respect to different factors. Factors such as the relative thickness of the surface layer, the relative thickness of the bulk region, the cooling rate, and the annealing schedule (time and temperature) are explored. Structural features such as ring size distribution, defect concentrations (five-coordinated aluminium (AlV), non-bridging oxygen (NBO), and tri-cluster oxygen (TBO)), and linkage distribution are identified as significant features in dissolution studies.

Keywords: MD simulation, CAS glasses, surface structure, structure-property, CAS interface

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Authors: Suzi M. S. Cavalari, Tim Lewis

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Teletandem is a bilingual model of virtual exchange in which two partners from different countries( and speak different languages) meet synchronously and regularly over a period of 8 weeks to learn each other’s mother tongue (or the language of proficiency). At São Paulo State University (UNESP), participants should answer a questionnaire before starting the exchanges in which one of the questions refers to setting a goal to be accomplished with the help of the teletandem partner. In this context, the present presentation aims to examine the goal-setting activity of 79 Brazilians who participated in Portuguese-English teletandem exchanges over a period of four years (2012-2015). The theoretical background is based on goal setting and self-regulated learning theories that propose that appropriate efficient goals are focused on the learning process (not on the product) and are specific, proximal (short-term) and moderately difficult. The data set used was 79 initial questionnaires retrieved from the MulTeC (Multimodal Teletandem Corpus). Results show that only approximately 10% of goals can be considered appropriate. Features of these goals are described in relation to specificities of the teletandem context. Based on the results, three mechanisms that can help learners to set attainable goals are discussed.

Keywords: foreign language learning, goal setting, teletandem, virtual exchange

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Authors: Denis V. Shutin, Alexander Yu. Babin, Leonid A. Savin

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One of the ways of reducing vibroactivity of rotor systems is to apply active hybrid bearings. Their design allows correction of the rotor’s location by means of separately controlling the supply pressure of the lubricant into the friction area. In a most simple case, the control system is based on a P-regulator. Increase of the gain coefficient allows decreasing the amplitude of rotor’s vibrations. The same effect can be achieved by means of increasing the pressure in the collector of a traditional passive hybrid bearing. However, these approaches affect the dynamic characteristics of the bearing differently. Theoretical studies show that the increase of the gain coefficient of an active bearing increases the stiffness of the bearing, as well as the increase of the pressure in the collector. Nevertheless, in case of a passive bearing, the damping properties deteriorate, whereas the active hybrid bearings obtain higher damping properties, which allow effectively providing the energy dissipation of the rotor vibrations and reducing the load on the constructional elements of a machine.

Keywords: active bearings, control system, damping, hybrid bearings, stiffness

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Authors: Dmitry Yu. Korulkin, Raissa A. Muzychkina

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Currently to treat infectious diseases bioactive substances of plant origin having fewer side effects than synthetic medicines and medicines similar to natural components of a human body by the structure and action, become very important. One of the groups of secondary metabolites of the plants - alkaloids can be related the number of the most promising sources of medicines of plant origin. Currently, the structure of more than 7500 compounds has been identified. Analyzing the scope of research in the field of chemistry, pharmacology and technology of alkaloids, we can make a conclusion about that there is no system approach during the research of relation structure-activity on different groups of these substances. It is connected not only with a complex structure of their molecules, but also with insufficient information on the nature of their effect on organs, tissues and other targets in organism. The purpose of this research was to identify pharmacophore groups in the structure of alkaloids of endemic Polygonum L. plants growing in Kazakhstan responsible for their antiviral action. To isolate alkaloids pharmacopoeian methods were used. Antiviral activity of alkaloids of Polygonum L. plants was researched in the Institute of Microbiology and Virology of the Ministry of Education and Science of the Republic of Kazakhstan. Virus-inhibiting properties of compounds were studies in experiments with ortho- and paramyxoviruses on the model of chick-embryos. Anti-viral properties were determined using ‘screening test’ method designed to neutralization of a virus at the amount of 100EID50 with set concentrations of medicines. The difference of virus titer compared to control group was deemed as the criterion of antiviral action. It has been established that Polygonum L. alkaloids has high antiviral effect to influenza and parainfluenza viruses. The analysis of correlation of the structure and antiviral activity of alkaloids allowed identifying the main pharmacophore groups, among which the most important are glycosidation, the presence of carbonyl and hydroxyl groups, molecular weight and molecular size.

Keywords: alkaloids, antiviral, bioactive substances, isolation, pharmacophore groups, Polygonum L.

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Authors: Javier Barrachina, Piedad Garrido, Manuel Fogue, Julio A. Sanguesa, Francisco J. Martinez

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It is very common to observe, especially in Computer Science studies that students have difficulties to correctly understand how some mechanisms based on Artificial Intelligence work. In addition, the scope and limitations of most of these mechanisms are usually presented by professors only in a theoretical way, which does not help students to understand them adequately. In this work, we focus on the problems found when teaching Evolutionary Algorithms (EAs), which imitate the principles of natural evolution, as a method to solve parameter optimization problems. Although this kind of algorithms can be very powerful to solve relatively complex problems, students often have difficulties to understand how they work, and how to apply them to solve problems in real cases. In this paper, we present two interactive graphical applications which have been specially designed with the aim of making Evolutionary Algorithms easy to be understood by students. Specifically, we present: (i) TSPS, an application able to solve the ”Traveling Salesman Problem”, and (ii) FotEvol, an application able to reconstruct a given image by using Evolution Strategies. The main objective is that students learn how these techniques can be implemented, and the great possibilities they offer.

Keywords: education, evolutionary algorithms, evolution strategies, interactive learning applications

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Authors: Md. Kamal Uddin

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Bangladesh is trying to achieve Sustainable Development Goals (SDGs) by 2030. Environmental Education (EE) is very vital to reaching the agenda of SDGs. However, a lack of environmental awareness and gaps in theoretical knowledge and its practices still exists in Bangladesh. Therefore, this research aims to understand the students’ perceptions of whether and how their behaviour is environment-friendly to achieve SDGs. It also addresses teachers’ perceptions of what are the shortcomings of environmental education in Bangladesh. It uses the qualitative and quantitative techniques of data collection and analysis based on in-depth interviews, surveys among different categories of participants and classroom observation. The paper finds that the level of EE and students’ awareness of the environment is inadequate. Some teachers believe that the EE is not better in Bangladesh due to the absence of practical learning of EE, lack of the motivations and actions, institutional weakness, inadequate policies, poor implementation, and cultural and traditional beliefs. Thus, this paper argues that Bangladeshi EE is not adequate to change the behaviour of the students towards the environment, which makes it difficult for the country to ensure SD. Thus, this research suggests that there is a need to revise the environmental education policy to change the behaviour and structure of the country for sustainable development.

Keywords: environmental education, sustainable development, environmental practice, environmental behaviour, Bangladesh

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Authors: Mingshu Liu, Laura Santamaria, Xavier Carmaniu Mainadé

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As one of the sectors most affected by the COVID-19 pandemic, tourism is facing challenges in revitalizing the industry. But at the same time, it would be a good opportunity to take advantage of digital communication as an effective tool for tourism promotion. Our proposal aims to verify the linguistic operations on online platforms in China. The research is carried out based on the theory of Eco-traductology put forward by Gengshen Hu, whose contribution focuses on the translator's adaptation to the ecosystem environment and the three elaborated parameters (linguistic, cultural and communicative). We also relate it to Even-Zohar's and Toury's theoretical postulates on the Polysystem to elaborate on interdisciplinary methodology. Such a methodology allows us to analyze personal treatments and phraseology in the target text. As for the corpus, we adopt the official Spanish-language website of Turismo de España as the source text and the postings on the two major social networks in China, Weibo and Wechat, in 2019. Through qualitative analysis, we conclude that, in the tourism advertising campaign on Chinese social networks, chengyu (Chinese phraseology) and honorific titles are used very frequently.

Keywords: digital communication, eco-traductology, polysystem theory, tourism advertising

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Authors: Lele Zhang, Hui Leng Choo, Alexander Konyukhov, Shuguang Li

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China is currently the world's largest producer and distributor of electric bicycle (e-bike). The increasing number of e-bikes on the road is accompanied by rising injuries and even deaths of e-bike drivers. Therefore, there is a growing need to improve the safety structure of e-bikes. This 3D frictionless contact analysis is a preliminary, but necessary work for further structural design improvement of an e-bike. The contact analysis between e-bike and the ground was carried out as follows: firstly, the Penalty method was illustrated and derived from the simplest spring-mass system. This is one of the most common methods to satisfy the frictionless contact case; secondly, ANSYS static analysis was carried out to verify finite element (FE) models with contact pair (without friction) between e-bike and the ground; finally, ANSYS transient analysis was used to obtain the data of the penetration p(u) of e-bike with respect to the ground. Results obtained from the simulation are as estimated by comparing with that from theoretical method. In the future, protective shell will be designed following the stability criteria and added to the frame of e-bike. Simulation of side falling of the improved safety structure of e-bike will be confirmed with experimental data.

Keywords: frictionless contact, penalty method, e-bike, finite element

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Authors: Morenike Abimbola Adeleye, Anthony Temidayo Bolarinwa

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The genesis of talc bodies around Wonu, Ibadan-Apomu area, southwestern Nigeria, has been speculative due to inadequate compositional data on the talc and the mafic-ultramafic protoliths. Petrography, morphology, using scanning electron microscope, mineral chemistry, X-ray diffraction, and major, trace and rare-earth element compositions of the talc and the mafic-ultramafic in the area were undertaken with a view to determine the genesis of the talc bodies. Fine-grained amphibolite and lherzolite are the major mafic-ultramafic rocks in the study area. The amphibolite is fine-grained, composed of amphiboles, pyroxenes plagioclase, K-feldspar, ilmenite, magnetite, and garnet. The lherzolite and talc are composed of olivines, pyroxenes, amphiboles, and plagioclase. Alteration minerals include serpentine, amesite, talc, Cr-bearing clinochlore, and ferritchromite. Cr-spinel, pyrite, and magnetite are the accessory minerals present. Alteration of olivines, pyroxenes, and amphiboles to talc and chlinochlore; and spinel to ferritchchromite by hydrothermal (H₂O-CO₂-Cl-HF) fluids, provided by the granitic intrusions in the area, showed retrograde metasomatism of amphibolites to greenschist facies at 500-550ºC. This led to the formation of talc, amesite, anthophyllite, actinolite, and tremolite. The Al₂O₃-Fe₂O₃+TiO₂-MgO discrimination diagram suggests tholeiitic protolith for the amphibolite and komatitic protolith for the lherzolite. The lherzolite has flat rare-earth element patterns typical of komatiites and dunites. The Al₂O₃/TiO₂ ratios, Ce/Nb vs. Th/Nb, Cr-TiO₂, TiO₂ vs. Al₂O₃, and Nd vs. Nb discrimination diagrams indicated that the talcs are from two-parent sources: altered metacarbonates and tholeiitic basalts (amphibolites) to komatitic basalts (lherzolites).

Keywords: amphibolites, lherzolites, talc, komatiite

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Authors: Meltem Nur Erdöl, Feyzanur Bayrak, Elif Emanetçi, Faik Nüzhet Oktar, Cevriye Kalkandelen, Oğuzhan Gündüz

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Nowadays, the bioceramic graft applications are very important due to the fact that especially European population is getting much older. Consequently, healing approaches for some health problems become more important in the near future. For instance, osteoporosis is one of the reasons for serious hip fractures. Beside these, the traffic accidents playing role increasing of various hip fractures and other bone fractures. Naturally all these are leading the importance developing new bioceramic graft materials. Hydroxyapatite (HA) is one of the leading bioceramics on the market. Beside the high biocompatibility HA bioceramics unfortunately are weak materials for loaded areas. For improvement mechanical properties of HA material, some oxides and metallic powders can be added. In this study, some rare earth oxides like hafnium (IV) oxide (HfO₂) and samarium (III) oxide (Sm₂O₃) are added to HA for improvement of their material characteristics. Thus, compression, microhardness and theoretical density tests are performed. X-ray diffraction patterns are also investigated corresponding x-ray diffraction equipment. At the end, studies of scanning electron microscope (SEM) and energy-dispersive x-ray spectroscopy (EDX) are completed. All values were compared with past BHA and various composites.

Keywords: biocomposite, hafnium oxide, hydroxyapatite, nanotechnology, samarium oxide

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Authors: Niesha Douglas, Lisa Merriweather, Cathy Howell, Anna Sancyzk

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Many studies explain that mentoring in an academic setting contributes to student success and retention. However, in the United States, where the population is diverse and filled with multiple ethnic groups, mentoring has become too generalized and fails to offer a unique individualized experience for underrepresented minorities (URM). The purpose of this paper is to describe the findings of an ongoing qualitative study that investigates the relationships among STEM doctoral faculty and URM students. Several faculty from three different predominately white institutions (PWI) in the Southeastern region of the United States were interviewed and engaged in open dialogue about their experiences with mentoring. The data collection included semi-structured interviews that took place in the classroom (pre-COVID-19) as well as virtually. The theoretical framework draws on the idea of Critical Race Theory and how cultural, social constructs interfere with effective mentoring for URM Doctoral STEM students. The findings in this study suggest that though the faculty and several years of experience mentoring students, there were some gaps in understanding the needs of URM students and how mentoring is a unique relationship that should be specialized for each student and should not fit into one mold.

Keywords: culture, critical race theory, mentoring, STEM

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Authors: Joshua Midha

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The basis for information campaigns and behavioral interventions has long reigned as a tactic. From the Soviet-era propaganda machines to the opinion hijacks in Iran, these measures are now commonplace and are used for dissemination and disassembly. However, the use of these tools for strategic diffusion, specifically in a counter-terrorism setting, has only been explored on the surface. This paper aims to introduce a larger conceptual portion of guided information campaigns into preexisting terror cells and situations. It provides an alternative, low-risk intervention platform for future military strategy. This paper highlights a theoretical framework to lay out the foundationary details and explanations for behavioral interventions and moves into using a case study to highlight the possibility of implementation. It details strategies, resources, circumstances, and risk factors for intervention. It also sets an expanding foundation for offensive PsyOps and argues for tactical diffusion of information to battle extremist sentiment. The two larger frameworks touch on the internal spread of information within terror cells and external political sway, thus charting a larger holistic purpose of strategic operations.

Keywords: terrorism, behavioral intervention, propaganda, SNA, extremism

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Authors: B. M. Pardeshi

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Introduction: Minerals and trace elements are chemical elements required by our bodies for numerous biological and physiological processes that are necessary for the maintenance of health. Medicinal plants are highly beneficial for the maintenance of good health and prevention of diseases. They are known as potential sources of minerals and vitamins. 30 to 40% of today’s conventional drugs used in the medicinal and curative properties of various plants are employed in herbal supplement botanicals, nutraceuticals and drug. Aim: The authors explored the mineral element content of some herbs, because mineral elements may have significant role in the development and treatment of gastrointestinal diseases, and a close connection between the presence or absence of mineral elements and inflammatory mediators was noted. Methods: Present study deals with the elemental analysis of medicinal plants by Instrumental Neutron activation Analysis and Atomic Absorption Spectroscopy. Medicinal herbals prescribed for skin diseases were purchased from markets and were analyzed by Instrumental Neutron Activation Analysis (INAA) using 252Cf Californium spontaneous fission neutron source (flux* 109 n s-1) and the induced activities were counted by γ-ray spectrometry and Atomic Absorption Spectroscopy (AAS) techniques (Perkin Elmer 3100 Model) available at Department of Chemistry University of Pune, India, was used for the measurement of major, minor and trace elements. Results: 15 elements viz. Al, K, Cl, Na, Mn by INAA and Cu, Co, Pb Ni, Cr, Ca, Fe, Zn, Hg and Cd by AAS were analyzed from different medicinal plants from India. A critical examination of the data shows that the elements Ca , K, Cl, Al, and Fe are found to be present at major levels in most of the samples while the other elements Na, Mn, Cu, Co, Pb, Ni, Cr, Ca, Zn, Hg and Cd are present in minor or trace levels. Conclusion: The beneficial therapeutic effect of the studied herbs may be related to their mineral element content. The elemental concentration in different medicinal plants is discussed.

Keywords: instrumental neutron activation analysis, atomic absorption spectroscopy, medicinal plants, trace elemental analysis, mineral contents

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Authors: YuPei Chang

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In recent years, moral judgement tasks have served as an increasingly popular plot mechanism in digital gameplay. As a moral agency, the player's choice judgment in digital games is to shuttle between the real world and the game world. The purpose of the research is to explore the moral difficulties brewed by the interactive mechanism of the game and the moral choice of players. In the theoretical level, this research tries to combine moral disengagement, moral foundations theory, and gameplay as an aesthetic experience. And in the methodical level, this research tries to use methods that combine text analysis, diary method, and in-depth interviews. There are three research problems that will be solved in three stages. In the first stage, this project will explore how moral dilemmas are represented in game mechanics. In the second stage, this project will analyze the appearance and conflicts of moral dilemmas in game mechanics based on the five aspects of moral foundations theory. In the third stage, this project will try to understand the players' choices when they face the choices of moral dilemmas, as well as their explanations and reflections after making the decisions.

Keywords: morality, moral disengagement, moral foundations theory, PC game, gameplay, moral dilemmas, player

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Authors: Tianchen Dai

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Shantytowns are special historical products in china, possessing strong particularity and typicality, the theoretical value and the practical significance of which are deemed to hold great importance in the modern development of residential areas in China. The renovation planning of shantytowns can be very challenging in terms of cultural inheritance. The traditional lifestyle, one of the key elements building up residents’ perception of affiliation, should be carried forward in the renovation planning of shantytowns. Mobile vending can be considered as a rare business model survived within modern commercial environment, thanks to the unique spatial characteristics of Chinese shantytowns. This article mainly investigates the unique phenomenon of mobile vending in shantytowns, discussing the operating mechanism and rationality behind this commercial phenomenon. For humanistic concern, the innovative conservation of mobile vending, as a means to preserve the vivacious traditional lifestyle of local residents, can be realized through substantial urban design strategies, including spatial design of public space, height control of the facades, and traffic management around and inside shantytowns.

Keywords: cultural inheritance, mobile vending, renovation planning, shantytowns

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Authors: Muhammad Sufyan, Muhammad D. Gogi, Muhammad Arshad, Ahmad Nawaz, Muhammad Usman

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Cotton (Gossypium hirsutum) universally known as silver fiber and is one of the most important cash crop of Pakistan. A wide array of pests constraints cotton production among which sucking insect pests cause serious losses. Mostly new chemistry insecticides used to control a wide variety of insect pests including sucking insect pests. In the present study efficacy of different neonicotinoids was evaluated against sucking insect pests of cotton in the field and in laboratory for red and dusky cotton bug. The experiment was conducted at Entomology Research Station, University of Agriculture Faisalabad, in a Randomized Complete Block Design (RCBD). Field trial was conducted to evaluate the efficacy of Confidence Ultra (Imidacloprid) 70% SL, Confidor (Imidacloprid) 20% SL, Kendo (Lambda cyhalothrin) 24.7 SC, Actara (Thiamethoxam) 25% WG, Forcast (Tebufenozide+ Emamectin benzoate) 8.8 EW and Timer (Emamectin benzoate) 1.9 EC at their recommended doses. The data was collected on per leaf basis of thrips, aphid, jassid and whitefly before 24 hours of spray. The post treatment data was recorded after 24, 48 and 72 hours. The fresh, non-infested and untreated cotton leaves was collected from the field and brought to the laboratory to assess the efficacy of neonicotinoids against red and dusky cotton bug. After data analysis all the insecticides were found effective against sucking pests. Confidence Ultra was highly effective against the aphid, jassid, and whitefly and gave maximum mortality, while showed non-significant results against thrips. In case of aphid plot which was treated with Kando 24.7 SC showed significant mortality after 72 hours of pesticide application. Similar trends were found in laboratory conditions with all these treatments by making different concentrations and had significant impact on dusky cotton bug and red cotton bug population after 24, 48 and 72 hours after application.

Keywords: cotton, laboratory and field conditions, neonicotinoids, sucking insect pests

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Authors: Titus A. Beu

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Many modern gene-delivery protocols rely on condensed complexes of DNA with polycations to introduce the genetic payload into cells by endocytosis. In particular, polyethyleneimine (PEI) stands out by a high buffering capacity (enabling the efficient condensation of DNA) and relatively simple fabrication. Realistic computational studies can offer essential insights into the formation process of DNA-PEI polyplexes, providing hints on efficient designs and engineering routes. We present comprehensive computational investigations of solvated PEI and DNA-PEI polyplexes involving calculations at three levels: ab initio, all-atom (AA), and coarse-grained (CG) molecular mechanics. In the first stage, we developed a rigorous AA CHARMM (Chemistry at Harvard Macromolecular Mechanics) force field (FF) for PEI on the basis of accurate ab initio calculations on protonated model pentamers. We validated this atomistic FF by matching the results of extensive molecular dynamics (MD) simulations of structural and dynamical properties of PEI with experimental data. In a second stage, we developed a CG MARTINI FF for PEI by Boltzmann inversion techniques from bead-based probability distributions obtained from AA simulations and ensuring an optimal match between the AA and CG structural and dynamical properties. In a third stage, we combined the developed CG FF for PEI with the standard MARTINI FF for DNA and performed comprehensive CG simulations of DNA-PEI complex formation and condensation. Various technical aspects which are crucial for the realistic modeling of DNA-PEI polyplexes, such as options of treating electrostatics and the relevance of polarizable water models, are discussed in detail. Massive CG simulations (with up to 500 000 beads) shed light on the mechanism and provide time scales for DNA polyplex formation independence of PEI chain size and protonation pattern. The DNA-PEI condensation mechanism is shown to primarily rely on the formation of DNA bundles, rather than by changes of the DNA-strand curvature. The gained insights are expected to be of significant help for designing effective gene-delivery applications.

Keywords: DNA condensation, gene-delivery, polyethylene-imine, molecular dynamics.

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Authors: Renkai Wang, Tingcun Wei

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In this paper, a digital control algorithm based on delta-operator is presented for high-frequency digitally-controlled DC-DC switching converters. The stability and the controlling accuracy of the DC-DC switching converters are improved by using the digital control algorithm based on delta-operator without increasing the hardware circuit scale. The design method of voltage compensator in delta-domain using PID (Proportion-Integration- Differentiation) control is given in this paper, and the simulation results based on Simulink platform are provided, which have verified the theoretical analysis results very well. It can be concluded that, the presented control algorithm based on delta-operator has better stability and controlling accuracy, and easier hardware implementation than the existed control algorithms based on z-operator, therefore it can be used for the voltage compensator design in high-frequency digitally- controlled DC-DC switching converters.

Keywords: digitally-controlled DC-DC switching converter, digital voltage compensator, delta-operator, finite word length, stability

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Authors: H. Krarcha

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The structural, elastic, vibrational and thermal properties of AHfO3 compounds with the cubic perovskites structure have been investigated, by employing a first principles method, using the plane wave pseudo potential calculations (PP-PW), based on the density functional theory (DFT), within the local density approximation (LDA). The optimized lattice parameters, independent elastic constants (C11, C12 and C44), bulk modulus (B), compressibility (b), shear modulus (G), Young’s modulus (Y ), Poisson’s ratio (n), Lame´’s coefficients (m, l), as well as band structure, density of states and electron density distributions are obtained and analyzed in comparison with the available theoretical and experimental data. For the first time the numerical estimates of elastic parameters of the polycrystalline AHfO3 ceramics (in framework of the VoigteReusseHill approximation) are performed. The quasi-harmonic Debye model, by means of total energy versus volume calculations obtained with the FP-LAPW method, is applied to study the thermal and vibrational effects. Predicted temperature and pressure effects on the structural parameters, thermal expansions, heat capacities, and Debye temperatures are determined from the non-equilibrium Gibbs functions.

Keywords: Hafnium, elastic propreties, first principles calculation, perovskite

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Authors: Olokode Enitan Aishat

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People can perform to the best of their abilities and produce the highest-quality work most effectively and efficiently with the aid of performance management tools. The performance, goal-setting, activation, monitoring, measurement, and evaluation aspects of hospitality operations are key. The hospitality industry, the investors, and management would become irrelevant without performance since the industry would no longer be viable. The goal of this study is to elucidate the quandary for both management and investor, which derives from an intrinsic perspective in which both parties seek to reach and exceed goals while maximizing returns on investment. The desire for achievement and a return on investment is a major conundrum for all parties concerned. It is envisaged that there would be returns on the investments and expenses made in maintaining hospitality facilities with human resources. Secondary research was used to develop the theoretical framework. A random sample of respondents from hotels employee and investors within the city of Abuja was used to collect data, which was then analyzed using SPSS. This study confirms the validity of simple and straightforward common misunderstandings and provides tried and tested strategies for understanding and working together as a team among managers and owners in a business, as this would guarantee a return for business owners and management.

Keywords: performance management, hospitality industry, conflict, alignment of key performance indicator

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Authors: Fabio Salvador Aparecido Santos, Spencer Chainey, Richard Wortley

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Urban morphology can be understood as the study of the physical form of cities through its elements. Crime, at this turn, can be oversimplified as an action that breaks the rules established in a certain society. This study involves these two subjects through the relationship between elements of urban morphology and density of crime occurrences. We consider that there is a research gap about the influence of urban features on crime occurrences using statistic methods and mapping techniques on Geographic Information Systems. The investigation will comprehend three main phases. The first phase involves examining how theoretical principles associated with urban morphology can be viewed in terms of their influence on crime patterns. The second phase involves the development of tools to be used to model elements of urban morphology, and measure the relationship between these urban morphological elements and patterns of crime. The third phase involves determining the extent to which elements of the urban environment can contribute to crime reduction. Understanding the relationship between urban morphology and crime patterns in a Latin American context will help highlight the influence urban planning has on the crime problems that emerge in these settings, and how effectively urban planning can contribute to reducing crime.

Keywords: Agent-based Modelling, Environmental Criminology, Geographic Information System, Urban Morphology

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Authors: Ahasanul Haque, Abdullah Sarwar, Khaliq Ahmed

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Networking is important among students to achieve better understanding. Social networking plays an important role in the education. Realizing its huge potential, various organizations, including institutions of higher learning have moved to the area of social networks to interact with their students especially through Facebook. Therefore, measuring the effectiveness of Facebook as a learning tool has become an area of interest to academicians and researchers. Therefore, this study tried to integrate and propose new theoretical and empirical evidences by linking the western idea of adopting Facebook as an alternative learning platform from a Malaysian perspective. This study, thus, aimed to fill a gap by being among the pioneering research that tries to study the effectiveness of adopting Facebook as a learning platform across other cultural settings, namely Malaysia. Structural equation modelling was employed for data analysis and hypothesis testing. This study findings have provided some insights that would likely affect students’ awareness towards using Facebook as an alternative learning platform in the Malaysian higher learning institutions. At the end, future direction is proposed.

Keywords: Learning Management Tool, social networking, education, Malaysia

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Authors: Dennis Infante

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This paper examined the reflections of teachers on curriculum reforms, the implementation of the K-12 Basic Education Program in the Philippines. The results revealed that problems and concerns raised by teachers could be classified into curriculum materials and design; competence, readiness and motivation of the teachers; the learning environment, and support systems; readiness, competence and motivation of students; and other relevant factors. The best features of the K-12 curriculum reforms included (1) the components, curriculum materials; (2) the design, structure and delivery of the lessons; (3) the framework and theoretical approach; (3) the qualities of the teaching-learning activities; (4) and other relevant features. With the demanding task of implementing the new curriculum, the teachers expressed their needs which included (1) making the curriculum materials available to achieve the goals of the curriculum reforms; (2) enrichment of the learning environments; (3) motivating and encouraging the teachers to embrace change; (4) providing appropriate support systems; (5) re-tooling, and empowering teachers to implement the curriculum reforms; and (6) other relevant factors. The research concluded with a synthesis that provided a paradigm for implementing curriculum reforms which recognizes the needs of the teachers and the features of the new curriculum.

Keywords: curriculum reforms, K-12, teachers' reflections, implementing curriculum change

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Authors: Ece A. Irmak, Amdulla O. Mekhrabov, M. Vedat Akdeniz

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There is a growing interest in the modeling and simulation of magnetic nanoalloys by various computational methods. Magnetic crystalline/amorphous nanoparticles (NP) are interesting materials from both the applied and fundamental points of view, as their properties differ from those of bulk materials and are essential for advanced applications such as high-performance permanent magnets, high-density magnetic recording media, drug carriers, sensors in biomedical technology, etc. As an important magnetic material, Fe-Ni based nanoalloys have promising applications in the chemical industry (catalysis, battery), aerospace and stealth industry (radar absorbing material, jet engine alloys), magnetic biomedical applications (drug delivery, magnetic resonance imaging, biosensor) and computer hardware industry (data storage). The physical and chemical properties of the nanoalloys depend not only on the particle or crystallite size but also on composition and atomic ordering. Therefore, computer modeling is an essential tool to predict structural, electronic, magnetic and optical behavior at atomistic levels and consequently reduce the time for designing and development of new materials with novel/enhanced properties. Although first-principles quantum mechanical methods provide the most accurate results, they require huge computational effort to solve the Schrodinger equation for only a few tens of atoms. On the other hand, molecular dynamics method with appropriate empirical or semi-empirical inter-atomic potentials can give accurate results for the static and dynamic properties of larger systems in a short span of time. In this study, structural evolutions, magnetic and electronic properties of Fe-Ni based nanoalloys have been studied by using molecular dynamics (MD) method in Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Density Functional Theory (DFT) in the Vienna Ab initio Simulation Package (VASP). The effects of particle size (in 2-10 nm particle size range) and temperature (300-1500 K) on stability and structural evolutions of amorphous and crystalline Fe-Ni bulk/nanoalloys have been investigated by combining molecular dynamic (MD) simulation method with Embedded Atom Model (EAM). EAM is applicable for the Fe-Ni based bimetallic systems because it considers both the pairwise interatomic interaction potentials and electron densities. Structural evolution of Fe-Ni bulk and nanoparticles (NPs) have been studied by calculation of radial distribution functions (RDF), interatomic distances, coordination number, core-to-surface concentration profiles as well as Voronoi analysis and surface energy dependences on temperature and particle size. Moreover, spin-polarized DFT calculations were performed by using a plane-wave basis set with generalized gradient approximation (GGA) exchange and correlation effects in the VASP-MedeA package to predict magnetic and electronic properties of the Fe-Ni based alloys in bulk and nanostructured phases. The result of theoretical modeling and simulations for the structural evolutions, magnetic and electronic properties of Fe-Ni based nanostructured alloys were compared with experimental and other theoretical results published in the literature.

Keywords: density functional theory, embedded atom model, Fe-Ni systems, molecular dynamics, nanoalloys

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Authors: Ali Abdullah Albezaghi

Abstract:

This article aims to introduce a conceptual framework that can facilitate investigations concerning the role of risk management practices in the relationship between construction risks and the construction project's performance. This article is structured based on the extant literature; it reviews theoretical perspectives, highlights the gaps, and illustrates the significance of developing a framework of suggested relationships. Despite growing interest in the role of risks in construction project performance, previous studies have paid little attention to investigating the moderating role of risk management practices on the risk-performance link. This has left researchers and construction project managers with minimal information to explain the conditions under which risk management practices can reduce the impact of project-related risks and improve performance. In this context, this article suggests a viable research model with propositions that assess risk-performance relationships and discusses the potential moderating effects on the domain relationship. This paper adds to the risk management literature by focusing on risk variables that directly impact performance. Further, it also considers the moderating role of risk management practices in such relationships.

Keywords: risk management practices, external risks, internal risks, project risks, project performance

Procedia PDF Downloads 117

Authors: Joon-Hoon Park

Abstract:

The fundamental concept of observability is important in both theoretical and practical points of modern control systems. In modern control theory, a control system has criteria for determining the design solution exists for the system parameters and design objectives. The idea of observability relates to the condition of observing or estimating the state variables from the output variables that is generally measurable. To design closed-loop control system, the practical problems of implementing the feedback of the state variables must be considered and implementing state feedback control problem has been existed in this case. All the state variables are not available, so it is requisite to design and implement an observer that will estimate the state variables form the output parameters. However sometimes unknown inputs are presented in control systems as practical cases. This paper presents a design method and algorithm for observer of control system with unknown input parameters based on Rationalized Haar transform. The proposed method is more advantageous than the other numerical method.

Keywords: orthogonal functions, rationalized Haar transforms, control system observer, algebraic method

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Authors: Imene Atek, Abed M. Affoune, Hubert Girault, Pekka Peljo

Abstract:

Due to the need for a rigorous mathematical model that can help to estimate kinetic properties for soluble-insoluble systems, through voltammetric experiments, a Nicholson Semi Analytical Approach was used in this work for modeling and prediction of theoretical linear sweep voltammetry responses for reversible, quasi reversible or irreversible electron transfer reactions. The redox system of interest is a one-step metal electrodeposition process. A rigorous analysis of simulated linear scan voltammetric responses following variation of dimensionless factors, the rate constant and charge transfer coefficients in a broad range was studied and presented in the form of the so called kinetic zones diagrams. These kinetic diagrams were divided into three kinetics zones. Interpreting these zones leads to empirical mathematical models which can allow the experimenter to determine electrodeposition reactions kinetics whatever the degree of reversibility. The validity of the obtained results was tested and an excellent experiment–theory agreement has been showed.

Keywords: electrodeposition, kinetics diagrams, modeling, voltammetry

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Authors: El-Sadek H. Nour El-deen, K. Harby

Abstract:

Energy saving and environment friendly applications are turning out to be one of the most important topics nowadays. In this work, a simulation analysis using TRNSYS software has been carried out to study the benefit of employing a solar adsorption cooling system under the climatic conditions of Al-Minya city, Egypt. A theoretical model was carried out on a two bed adsorption cooling system employing granular activated carbon-HFC-404A as working pair. Temporal and averaged history of solar collector, adsorbent beds, evaporator and condenser has been shown. System performance in terms of daily average cooling capacity and average coefficient of performance around the year has been investigated. The results showed that maximum yearly average coefficient of performance (COP) and cooling capacity are about 0.26 and 8 kW respectively. The maximum value of the both average cooling capacity and COP cyclic is directly proportional to the maximum solar radiation. The system performance was found to be increased with the average ambient temperature. Finally, the proposed solar powered adsorption cooling systems can be used effectively under Al-Minya climatic conditions.

Keywords: adsorption, cooling, Egypt, environment, solar energy

Procedia PDF Downloads 147

Authors: Pooja Kumari, Anandkumar Tengli

Abstract:

Aurora kinase enzyme, a protein on overexpression, leads to metastasis and is extremely important for women’s health in terms of prevention or treatment. While creating a targeted technique, the aim of the work is to design purine molecules that inhibit in aurora kinase enzyme and helps to suppress breast cancer. Purine molecules attached to an amino acid in DNA block protein synthesis or halt the replication and metastasis caused by the aurora kinase enzyme. Various protein related to the overexpression of aurora protein was docked with purine molecule using Biovia Drug Discovery, the perpetual software. Various parameters like X-ray crystallographic structure, presence of ligand, Ramachandran plot, resolution, etc., were taken into consideration for selecting the target protein. A higher negative binding scored molecule has been taken for simulation studies. According to the available research and computational analyses, purine compounds may be powerful enough to demonstrate a greater affinity for the aurora target. Despite being clinically effective now, purines were originally meant to fight breast cancer by inhibiting the aurora kinase enzyme. In in-silico studies, it is observed that purine compounds have a moderate to high potency compared to other molecules, and our research into the literature revealed that purine molecules have a lower risk of side effects. The research involves the design, synthesis, and identification of active purine molecules against breast cancer. Purines are structurally similar to the normal metabolites of adenine and guanine; hence interfere/compete with protein synthesis and suppress the abnormal proliferation of cells/tissues. As a result, purine target metastasis cells and stop the growth of kinase; purine derivatives bind with DNA and aurora protein which may stop the growth of protein or inhibits replication and stop metastasis of overexpressed aurora kinase enzyme.

Keywords: aurora kinases, in silico studies, medicinal chemistry, combination therapies, chronic cancer, clinical translation

Procedia PDF Downloads 71

Authors: Hsiao-Yung Wang

Abstract:

This paper aims to elaborate methodology of visual rhetoric with constant reference to Mikhail Bakhtin’s concept of “chronotope”. First, it attempts to outline Ronald Barthes, the most representative scholar of visual rhetoric and structuralism, perspective on visual rhetoric and its time-space category by referring to the concurrent word-image, the symbolic systematicity, the outer dialogicity. Second, an alternative approach is explored for grasping the dynamics and functions of visual rhetoric by articulating Mikhail Bakhtin’s concept of “chronotope.” Furthermore, that visual rhetorical consciousness could be identified as “the meaning parabola which projects from word to image,” “the symbolic system which proceeds from sequence to disorder,” “the ideological environment which struggles from the local to the global.” Last but not least, primary vision of the 2014 Taipei LGBT parade would be analyzed preliminarily to evaluate the effectiveness and persuasiveness embodied by specific visual rhetorical strategies. How Bakhtin’s concept of “chronotope” to explain the potential or possible ideological struggle deployed by visual rhetoric might be interpreted empirically and extensively.

Keywords: barthes, chronotope, Mikhail Bakhtin, Taipei LGBT parade, visual rhetoric

Procedia PDF Downloads 457