Search results for: density functional theoretical
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 9301

Search results for: density functional theoretical

6121 Pharmacophore-Based Modeling of a Series of Human Glutaminyl Cyclase Inhibitors to Identify Lead Molecules by Virtual Screening, Molecular Docking and Molecular Dynamics Simulation Study

Authors: Ankur Chaudhuri, Sibani Sen Chakraborty

Abstract:

In human, glutaminyl cyclase activity is highly abundant in neuronal and secretory tissues and is preferentially restricted to hypothalamus and pituitary. The N-terminal modification of β-amyloids (Aβs) peptides by the generation of a pyro-glutamyl (pGlu) modified Aβs (pE-Aβs) is an important process in the initiation of the formation of neurotoxic plaques in Alzheimer’s disease (AD). This process is catalyzed by glutaminyl cyclase (QC). The expression of QC is characteristically up-regulated in the early stage of AD, and the hallmark of the inhibition of QC is the prevention of the formation of pE-Aβs and plaques. A computer-aided drug design (CADD) process was employed to give an idea for the designing of potentially active compounds to understand the inhibitory potency against human glutaminyl cyclase (QC). This work elaborates the ligand-based and structure-based pharmacophore exploration of glutaminyl cyclase (QC) by using the known inhibitors. Three dimensional (3D) quantitative structure-activity relationship (QSAR) methods were applied to 154 compounds with known IC50 values. All the inhibitors were divided into two sets, training-set, and test-sets. Generally, training-set was used to build the quantitative pharmacophore model based on the principle of structural diversity, whereas the test-set was employed to evaluate the predictive ability of the pharmacophore hypotheses. A chemical feature-based pharmacophore model was generated from the known 92 training-set compounds by HypoGen module implemented in Discovery Studio 2017 R2 software package. The best hypothesis was selected (Hypo1) based upon the highest correlation coefficient (0.8906), lowest total cost (463.72), and the lowest root mean square deviation (2.24Å) values. The highest correlation coefficient value indicates greater predictive activity of the hypothesis, whereas the lower root mean square deviation signifies a small deviation of experimental activity from the predicted one. The best pharmacophore model (Hypo1) of the candidate inhibitors predicted comprised four features: two hydrogen bond acceptor, one hydrogen bond donor, and one hydrophobic feature. The Hypo1 was validated by several parameters such as test set activity prediction, cost analysis, Fischer's randomization test, leave-one-out method, and heat map of ligand profiler. The predicted features were then used for virtual screening of potential compounds from NCI, ASINEX, Maybridge and Chembridge databases. More than seven million compounds were used for this purpose. The hit compounds were filtered by drug-likeness and pharmacokinetics properties. The selective hits were docked to the high-resolution three-dimensional structure of the target protein glutaminyl cyclase (PDB ID: 2AFU/2AFW) to filter these hits further. To validate the molecular docking results, the most active compound from the dataset was selected as a reference molecule. From the density functional theory (DFT) study, ten molecules were selected based on their highest HOMO (highest occupied molecular orbitals) energy and the lowest bandgap values. Molecular dynamics simulations with explicit solvation systems of the final ten hit compounds revealed that a large number of non-covalent interactions were formed with the binding site of the human glutaminyl cyclase. It was suggested that the hit compounds reported in this study could help in future designing of potent inhibitors as leads against human glutaminyl cyclase.

Keywords: glutaminyl cyclase, hit lead, pharmacophore model, simulation

Procedia PDF Downloads 132
6120 An Investigation of New Phase Diagram of Ag2SO4-CaSO4

Authors: Ravi V. Joat, Pravin S. Bodke, Shradha S. Binani, S. S. Wasnik

Abstract:

A phase diagram of the Ag2SO4 - CaSO4 (Silver sulphate – Calcium Sulphate) binaries system using conductivity, XRD (X-Ray Diffraction Technique) and DTA (Differential Thermal Analysis) data is constructed. The eutectic reaction (liquid -» a-Ag2SO4 + CaSO4) is observed at 10 mole% CaSO4 and 645°C. Room temperature solid solubility limit up to 5.27 mole % of Ca 2+ in Ag2SO4 is set using X-ray powder diffraction and scanning electron microscopy results. All compositions beyond this limit are two-phase mixtures below and above the transition temperature (≈ 416°C). The bulk conductivity, obtained following complex impedance spectroscopy, is found decreasing with increase in CaSO4 content. Amongst other binary compositions, the 80AgSO4-20CaSO4 gave improved sinterability/packing density.

Keywords: phase diagram, Ag2SO4-CaSO4 binaries system, conductivity, XRD, DTA

Procedia PDF Downloads 627
6119 Simulink Library for Reference Current Generation in Active DC Traction Substations

Authors: Mihaela Popescu, Alexandru Bitoleanu

Abstract:

This paper is focused on the reference current calculation in the compensation mode of the active DC traction substations. The so-called p-q theory of the instantaneous reactive power is used as theoretical foundation. The compensation goal of total compensation is taken into consideration for the operation under both sinusoidal and nonsinusoidal voltage conditions, through the two objectives of unity power factor and perfect harmonic cancelation. Four blocks of reference current generation implement the conceived algorithms and they are included in a specific Simulink library, which is useful in a DSP dSPACE-based platform working under Matlab/Simulink. The simulation results validate the correctness of the implementation and fulfillment of the compensation tasks.

Keywords: active power filter, DC traction, p-q theory, Simulink library

Procedia PDF Downloads 676
6118 Ternary Content Addressable Memory Cell with a Leakage Reduction Technique

Authors: Gagnesh Kumar, Nitin Gupta

Abstract:

Ternary Content Addressable Memory cells are mainly popular in network routers for packet forwarding and packet classification, but they are also useful in a variety of other applications that require high-speed table look-up. The main TCAM-design challenge is to decrease the power consumption associated with the large amount of parallel active circuitry, without compromising with speed or memory density. Furthermore, when the channel length decreases, leakage power becomes more significant, and it can even dominate dynamic power at lower technologies. In this paper, we propose a TCAM-design technique, called Virtual Power Supply technique that reduces the leakage by a substantial amount.

Keywords: match line (ML), search line (SL), ternary content addressable memory (TCAM), Leakage power (LP)

Procedia PDF Downloads 300
6117 A Cognitive Schema of Architectural Designing Activity

Authors: Abdelmalek Arrouf

Abstract:

This article sets up a cognitive schema of the architectural designing activity. It begins by outlining, theoretically, an a priori model of its general cognitive mechanisms. The obtained theoretical framework represents the designing activity as a complex system composed of three interrelated subsystems of cognitive actions: a subsystem of meaning production, one of morphology production and finally a subsystem of navigation between the two formers. A protocol analysis that uses statistical and informational tools is then used to measure the validity of the built schema. The model thus achieved shows that the designer begins by conceiving abstract meanings, which he then translates into shapes. That’s why we call it a semio-morphic model of the designing activity.

Keywords: designing actions, model of the design process, morphosis, protocol analysis, semiosis

Procedia PDF Downloads 174
6116 Experimental Investigation on the Effect of Prestress on the Dynamic Mechanical Properties of Conglomerate Based on 3D-SHPB System

Authors: Wei Jun, Liao Hualin, Wang Huajian, Chen Jingkai, Liang Hongjun, Liu Chuanfu

Abstract:

Kuqa Piedmont is rich in oil and gas resources and has great development potential in Tarim Basin, China. However, there is a huge thick gravel layer developed with high content, wide distribution and variation in size of gravel, leading to the condition of strong heterogeneity. So that, the drill string is in a state of severe vibration and the drill bit is worn seriously while drilling, which greatly reduces the rock-breaking efficiency, and there is a complex load state of impact and three-dimensional in-situ stress acting on the rock in the bottom hole. The dynamic mechanical properties and the influencing factors of conglomerate, the main component of gravel layer, are the basis of engineering design and efficient rock breaking method and theoretical research. Limited by the previously experimental technique, there are few works published yet about conglomerate, especially rare in dynamic load. Based on this, a kind of 3D SHPB system, three-dimensional prestress, can be applied to simulate the in-situ stress characteristics, is adopted for the dynamic test of the conglomerate. The results show that the dynamic strength is higher than its static strength obviously, and while the three-dimensional prestress is 0 and the loading strain rate is 81.25~228.42 s-1, the true triaxial equivalent strength is 167.17~199.87 MPa, and the strong growth factor of dynamic and static is 1.61~1.92. And the higher the impact velocity, the greater the loading strain rate, the higher the dynamic strength and the greater the failure strain, which all increase linearly. There is a critical prestress in the impact direction and its vertical direction. In the impact direction, while the prestress is less than the critical one, the dynamic strength and the loading strain rate increase linearly; otherwise, the strength decreases slightly and the strain rate decreases rapidly. In the vertical direction of impact load, the strength increases and the strain rate decreases linearly before the critical prestress, after that, oppositely. The dynamic strength of the conglomerate can be reduced properly by reducing the amplitude of impact load so that the service life of rock-breaking tools can be prolonged while drilling in the stratum rich in gravel. The research has important reference significance for the speed-increasing technology and theoretical research while drilling in gravel layer.

Keywords: huge thick gravel layer, conglomerate, 3D SHPB, dynamic strength, the deformation characteristics, prestress

Procedia PDF Downloads 212
6115 Technological Properties and Characterization of Ceramic Slurries Based on Yttrium Iii Oxide for Shell Moulds Preparation

Authors: D. Jakubowska, M. Malek, P. Wisniewski, J. Mizera, K. J. Kurzydlowski

Abstract:

The goal of this study was to analyze the technological properties of ceramic slurries based on Ytttria (Y2O3) for fabrication “prime coat” in ceramic shell moulds for investment casting process. The Yttria with two different granulation of (200# and 325#) in ratio-65%-35% by weight were used for preparation the ceramic slurries. Solid phase was 77 wt.%. The experiment was carried out for 96h. Main technological properties like: viscosity, pH, plate weight test, and density were measured every 24h. Additionally, dynamic viscosity was performed after 96h of test. For further material characterization SEM observations, Zeta potential, XRD measurements were done. Those research showed that Yttria ceramic slurries had very promising properties and there are perspective for future fabrication.

Keywords: ceramic slurries, mechanizal properties, viscosity, fabrication

Procedia PDF Downloads 548
6114 The Next Game Changer: 3-D Printed Musical Instruments

Authors: Leonardo Ko

Abstract:

In an era marked by rapid technological innovation, the classical instrument industry nonetheless has not seen significant change. Is this a matter of stubborn traditionalism, or do old, conventional instruments really sound better? Because of the widespread use of 3-D printing, it seems feasible to produce modern, 3-D printed instruments that adhere to the basic conventions of standard construction. This study aimed to design and create a practical, effective 3-D printed acoustic violin. A cost-benefit analysis of materials and design is presented in addition to a report on sound tests in which a pool of professional musicians compared the traditional violin to its synthetic counterpart with regard to acoustic properties. With a low-cost yet functional instrument, musicians of all levels would be able to afford instruments with much greater ease; the present study thus hopes to contribute to efforts to increase the accessibility of classical music education.

Keywords: acoustic musical instrument, classical musical education, low-cost, 3-D printing

Procedia PDF Downloads 230
6113 Pd Supported on Activated Carbon: Effect of Support Texture on the Dispersion of Pd

Authors: Ji Sun Kim, Jae Ho Baek, Kyeong Ho Kim, Ji Hae Ha, Seong Soo Hong, Jung-Wook Park, Man Sig Lee

Abstract:

Carbon supported palladium catalysts have been used in many industrial reactions, especially for hydrogenation in the fine chemical industry. Porous carbons had been widely used as catalyst supports due to its higher surface area and larger pore volume. The specific surface area, pore structure and surface chemical functional groups of porous carbon affects metal dispersion and particle size. In this paper, we confirm the effect of support texture on the dispersion of Pd. Pd catalyst supported on activated carbon having various specific surface area were characterized by BET, XRD and FE-TEM. Catalyst activity and dispersion of prepared catalyst were evaluated on the basis of the CO adsorption capacity by CO-chemisorption. As concluding remark to this part of our study, let us note that specific area of carbon play important role on the synthesis of Pd/C catalyst/.

Keywords: carbon, dispersion, Pd/C, specific are, support

Procedia PDF Downloads 353
6112 Business Process Management Maturity in Croatian Companies

Authors: V. Bosilj Vuksic

Abstract:

This paper aims to investigate business process management (BPM) maturity in Croatian companies. First, a brief literature review of the research field is given. Next, the results of empirical research are presented, analyzed and discussed. The results reveal that Croatian companies achieved the intermediate level of BPM maturity. The empirical evidence supports the proposed theoretical background. Furthermore, a case study approach was used to illustrate BPM adoption in a Croatian company at the upmost stage of BPM maturity. In practical terms, this case study identifies BPM maturity success factors that need to exist in order for a company to effectively adopt BPM.

Keywords: business process management, case study, Croatian companies, maturity, process performance index, questionnaire

Procedia PDF Downloads 231
6111 Temperature-Dependent Barrier Characteristics of Inhomogeneous Pd/n-GaN Schottky Barrier Diodes Surface

Authors: K. Al-Heuseen, M. R. Hashim

Abstract:

The current-voltage (I-V) characteristics of Pd/n-GaN Schottky barrier were studied at temperatures over room temperature (300-470K). The values of ideality factor (n), zero-bias barrier height (φB0), flat barrier height (φBF) and series resistance (Rs) obtained from I-V-T measurements were found to be strongly temperature dependent while (φBo) increase, (n), (φBF) and (Rs) decrease with increasing temperature. The apparent Richardson constant was found to be 2.1x10-9 Acm-2K-2 and mean barrier height of 0.19 eV. After barrier height inhomogeneities correction, by assuming a Gaussian distribution (GD) of the barrier heights, the Richardson constant and the mean barrier height were obtained as 23 Acm-2K-2 and 1.78eV, respectively. The corrected Richardson constant was very closer to theoretical value of 26 Acm-2K-2.

Keywords: electrical properties, Gaussian distribution, Pd-GaN Schottky diodes, thermionic emission

Procedia PDF Downloads 278
6110 The Effects of SCMs on the Mechanical Properties and Durability of Fibre Cement Plates

Authors: Ceren Ince, Berkay Zafer Erdem, Shahram Derogar, Nabi Yuzer

Abstract:

Fibre cement plates, often used in construction, generally are made using quartz as an inert material, cement as a binder and cellulose as a fibre. This paper first of all investigates the mechanical properties and durability of fibre cement plates when quartz is both partly and fully replaced with diatomite. Diatomite does not only have lower density compared to quartz but also has high pozzolanic activity. The main objective of this paper is the investigation of the effects of supplementary cementing materials (SCMs) on the short and long term mechanical properties and durability characteristics of fibre cement plates prepared using diatomite. Supplementary cementing materials such as ground granulated blast furnace slug (GGBS) and fly ash (FA) are used in this study. 10, 20, 30 and 40% of GGBS and FA are used as partial replacement materials to cement. Short and long term mechanical properties such as compressive and flexural strengths as well as capillary absorption, sorptivity characteristics and mass were investigated. Consistency and setting time at each replacement levels of SCMs were also recorded. The effects of using supplementary cementing materials on the carbonation and sulphate resistance of fibre cement plates were then experimented. The results, first of all, show that the use of diatomite as a full or partial replacement to quartz resulted in a systematic decrease in total mass of the fibre cement plates. The reduction of mass was largely due to the lower density and finer particle size of diatomite compared to quartz. The use of diatomite did not only reduce the mass of these plates but also increased the compressive strength significantly as a result of its high pozzolanic activity. The replacement levels of both GGBS and FA resulted in a systematic decrease in short term compressive strength with increasing replacement levels. This was essentially expected as the total heat of hydration is much lower in GGBS and FA than that of cement. Long term results however, indicated that the compressive strength of fibre cement plates prepared using both GGBS and FA increases with time and hence the compressive strength of plates prepared using SCMs is either equivalent or more than the compressive strength of plates prepared using cement alone. Durability characteristics of fibre cement plates prepared using SCMs were enhanced significantly. Measurements of capillary absorption and sopritivty characteristics were also indicated that the plates prepared using SCMs has much lower permeability compared to plates prepared cement alone. Much higher resistance to carbonation and sulphate attach were observed with plates prepared using SCMs. The results presented in this paper show that the use of SCMs does not only support the production of more sustainable construction materials but also enhances the mechanical properties and durability characteristics of fibre cement plates.

Keywords: diatomite, fibre, strength, supplementary cementing material

Procedia PDF Downloads 330
6109 Numerical Simulation and Optimal Control in Gas Dynamic Laser GDLs

Authors: Laggoun Chouki

Abstract:

In this paper we present the design and mechanisms of the physics process and discuss the performances of continuous gas laser dynamics, based on molecules N2(v=1)→C02(001)(v=3). The main objectives of work in this area are, obtaining the high laser energies in short time durations needed for the feasibility studies the physical principles that can be used to make laser sources capable of delivering high average powers. We note that, in order to reach both objectives, one has to convert electrical or chemical energy into laser energy, using gaseous media. The process generating the wave excited, on the basis of the excited level vibration, Theoretical predictions are compared with experimental results. The feasibility and effectiveness of the proposed method is demonstrated by computer simulation.

Keywords: modelling, lasers, gas, numerical, nozzle

Procedia PDF Downloads 83
6108 Performance Analysis of IDMA Scheme Using Quasi-Cyclic Low Density Parity Check Codes

Authors: Anurag Saxena, Alkesh Agrawal, Dinesh Kumar

Abstract:

The next generation mobile communication systems i.e. fourth generation (4G) was developed to accommodate the quality of service and required data rate. This project focuses on multiple access technique proposed in 4G communication systems. It is attempted to demonstrate the IDMA (Interleave Division Multiple Access) technology. The basic principle of IDMA is that interleaver is different for each user whereas CDMA employs different signatures. IDMA inherits many advantages of CDMA such as robust against fading, easy cell planning; dynamic channel sharing and IDMA increase the spectral efficiency and reduce the receiver complexity. In this, performance of IDMA is analyzed using QC-LDPC coding scheme further it is compared with LDPC coding and at last BER is calculated and plotted in MATLAB.

Keywords: 4G, QC-LDPC, CDMA, IDMA

Procedia PDF Downloads 324
6107 Regulating Green Roofs: A Review of the Relation between Current International Regulations and Economic, Environmental and Social Effects

Authors: Marianna Nigra, Maicol Negrello

Abstract:

Efficiency, productivity, and sustainability are important factors for structure and the application of processes in green building. Various previous studies have addressed efficiency, productivity, and sustainability separately. This research study aims to investigate the implications of these three factors taking together. Frequency analysis and the ranking techniques are carried out to explore the connection between these factors. The interconnection matrix has been developed and functional grouping is made based upon data from expert opinion and field professionals. The existence of a relationship, the type of relationship and the scaled impact have been drawn. Additionally, a system diagram has been developed to show the variable correlation. The results of expert opinion show that efficiency, productivity, and sustainability have a stronger impact on green buildings.

Keywords: green roof regulation, architecture, climate adaptation, resilience, innovation management

Procedia PDF Downloads 105
6106 Internal and External Influences on the Firm Objective

Authors: A. Briseno, A, Zorrilla

Abstract:

Firms are increasingly responding to social and environmental claims from society. Practices oriented to attend issues such as poverty, work equality, or renewable energy, are being implemented more frequently by firms to address impacts on sustainability. However, questions remain on how the responses of firms vary across industries and regions between the social and the economic objectives. Using concepts from organizational theory and social network theory, this paper aims to create a theoretical framework that explains the internal and external influences that make a firm establish its objective. The framework explains why firms might have a different objective orientation in terms of its economic and social prioritization.

Keywords: organizational identity, social network theory, firm objective, value maximization, social responsibility

Procedia PDF Downloads 311
6105 Analysis of Latest Fitness Trends in India

Authors: Amita Rana

Abstract:

From the ancient to modern times, the nature of fitness activities has varied. We can choose any form of exercise that is suitable for our particular need. Watchers of fitness trends say that the road to better health is paved with new possibilities along with some old ones that are poised to make a comeback. Educated, certified and experienced fitness professionals; strength training; fitness programmes for older adults; exercise and weight loss; children and obesity; personal training; core training; group personal training; Zumba and other dance workouts; functional fitness; yoga; comprehensive health promotion programmes at worksite; boot-camp; outdoor activities; reaching new markets; spinning; sport-specific training; worker incentive programmes; wellness coaching; and physician referrals are among the fitness trends included in worldwide surveys. However, trends related to fitness in India could be the same or different. Hence, the present paper makes an attempt to analyze the latest fitness trends in India. A total of eighteen (18) surveys were shortlisted on the basis of their relevance to the present topic of study and were arranged in descending order of their chronology. Content analysis was done after the preliminary set of data collection, which formed the basis of a group of data. Further, frequency and percentage were used to statistically represent the data. It can be concluded from the analysis of data regarding recent fitness trends in India that yoga dominates the fitness activity list, followed by numerous other activities including running, Zumba and sh’bam, boot camp, boxing, kickboxing, cycling, swimming, TRX, ass-pocalypse, ballet, biking, bokwa fitness, dance-iso-bic, masala bhangra, outdoor activities, pilates, planks, push-ups, sofa workouts, stairs Workouts, tabata training, and twerking. The body weight/ gym-specified/ strength training as well as high intensity interval training dominate the preferred workouts; followed by mixed work-outs, cross training work-outs, express work-outs, functional fitness, natural body movements, personalized training, and stay-at-home workouts. General areas that featured in the latest fitness trends in India demonstrates that the fitness is making an impact on all sections of the society be it children, women, older adults, senior citizens, worksite fitness. Fitness is becoming the lifestyle of the masses. People are doing exercise for weight-loss, combining diet with exercising; prefer sweating, making groups participate in fitness activities and wellness programmes. Technology is another area which has a high impact on the lives of people. They are using wearable technology for workout tracking and following numerous mobile friendly apps.

Keywords: fitness, India, survey, trend

Procedia PDF Downloads 314
6104 The Beneficial Effects of Inhibition of Hepatic Adaptor Protein Phosphotyrosine Interacting with PH Domain and Leucine Zipper 2 on Glucose and Cholesterol Homeostasis

Authors: Xi Chen, King-Yip Cheng

Abstract:

Hypercholesterolemia, characterized by high low-density lipoprotein cholesterol (LDL-C), raises cardiovascular events in patients with type 2 diabetes (T2D). Although several drugs, such as statin and PCSK9 inhibitors, are available for the treatment of hypercholesterolemia, they exert detrimental effects on glucose metabolism and hence increase the risk of T2D. On the other hand, the drugs used to treat T2D have minimal effect on improving the lipid profile. Therefore, there is an urgent need to develop treatments that can simultaneously improve glucose and lipid homeostasis. Adaptor protein phosphotyrosine interacting with PH domain and leucine zipper 2 (APPL2) causes insulin resistance in the liver and skeletal muscle via inhibiting insulin and adiponectin actions in animal models. Single-nucleotide polymorphisms in the APPL2 gene were associated with LDL-C, non-alcoholic fatty liver disease, and coronary artery disease in humans. The aim of this project is to investigate whether APPL2 antisense oligonucleotide (ASO) can alleviate dietary-induced T2D and hypercholesterolemia. High-fat diet (HFD) was used to induce obesity and insulin resistance in mice. GalNAc-conjugated APPL2 ASO (GalNAc-APPL2-ASO) was used to silence hepatic APPL2 expression in C57/BL6J mice selectively. Glucose, lipid, and energy metabolism were monitored. Immunoblotting and quantitative PCR analysis showed that GalNAc-APPL2-ASO treatment selectively reduced APPL2 expression in the liver instead of other tissues, like adipose tissues, kidneys, muscle, and heart. The glucose tolerance test and insulin sensitivity test revealed that GalNAc-APPL2-ASO improved glucose tolerance and insulin sensitivity progressively. Blood chemistry analysis revealed that the mice treated with GalNAc-APPL2-ASO had significantly lower circulating levels of total cholesterol and LDL cholesterol. However, there was no difference in circulating levels of high-density lipoprotein (HDL) cholesterol, triglyceride, and free fatty acid between the mice treated with GalNac-APPL2-ASO and GalNAc-Control-ASO. No obvious effect on food intake, body weight, and liver injury markers after GalNAc-APPL2-ASO treatment was found, supporting its tolerability and safety. We showed that selectively silencing hepatic APPL2 alleviated insulin resistance and hypercholesterolemia and improved energy metabolism in the dietary-induced obese mouse model, indicating APPL2 as a therapeutic target for metabolic diseases.

Keywords: APPL2, antisense oligonucleotide, hypercholesterolemia, type 2 diabetes

Procedia PDF Downloads 69
6103 Enhancement in the Absorption Efficiency of Gaas/Inas Nanowire Solar Cells through a Decrease in Light Reflection

Authors: Latef M. Ali, Farah A. Abed

Abstract:

In this paper, the effect of the Barium fluoride (BaF2) layer on the absorption efficiency of GaAs/InAs nanowire solar cells was investigated using the finite difference time domain (FDTD) method. By inserting the BaF2 as antireflection with the dominant size of 10 nm to fill the space between the shells of wires on the Si (111) substrate. The absorption is significantly improved due to the strong reabsorption of light reflected at the shells and compared with the reference cells. The present simulation leads to a higher absorption efficiency (Qabs) and reaches a value of 97%, and the external quantum efficiencies (EQEs) above 92% are observed. The current density (Jsc) increases by 0.22 mA/cm2 and the open-circuit voltage (Voc) is enhanced by 0.11 mV.

Keywords: nanowire solar cells, absorption efficiency, photovoltaic, band structures, fdtd simulation

Procedia PDF Downloads 75
6102 Mathematical and Numerical Analysis of a Reaction Diffusion System of Lambda-Omega Type

Authors: Hassan Al Salman, Ahmed Al Ghafli

Abstract:

In this study we consider a nonlinear in time finite element approximation of a reaction diffusion system of lambda-omega type. We use a fixed point theorem to prove existence of the approximations. Then, we derive some essential stability estimates and discuss the uniqueness of the approximations. Also, we prove an optimal error bound in time for d=1, 2 and 3 space dimensions. Finally, we present some numerical experiments to verify the theoretical results.

Keywords: reaction diffusion system, finite element approximation, fixed point theorem, an optimal error bound

Procedia PDF Downloads 535
6101 Application of Statistical Linearized Models for Investigations of Digital Dynamic Pulse-Frequency Control Systems

Authors: B. H. Aitchanov, Sh. K. Aitchanova, O. A. Baimuratov

Abstract:

This paper is focused on dynamic pulse-frequency modulation (DPFM) control systems. Currently, the control law based on DPFM control signals is widely used in direct digital control subsystems introduced in the automated control systems of technological processes. Statistical analysis of automatic control systems is reduced to its construction of functional relationships between the statistical characteristics of the errors processes and input processes. Structural and dynamic Volterra models of digital pulse-frequency control systems can be used to develop methods for generating the dependencies, differing accuracy, requiring the amount of information about the statistical characteristics of input processes and computing labor intensity of their use.

Keywords: digital dynamic pulse-frequency control systems, dynamic pulse-frequency modulation, control object, discrete filter, impulse device, microcontroller

Procedia PDF Downloads 495
6100 Changing the Landscape of Fungal Genomics: New Trends

Authors: Igor V. Grigoriev

Abstract:

Understanding of biological processes encoded in fungi is instrumental in addressing future food, feed, and energy demands of the growing human population. Genomics is a powerful and quickly evolving tool to understand these processes. The Fungal Genomics Program of the US Department of Energy Joint Genome Institute (JGI) partners with researchers around the world to explore fungi in several large scale genomics projects, changing the fungal genomics landscape. The key trends of these changes include: (i) rapidly increasing scale of sequencing and analysis, (ii) developing approaches to go beyond culturable fungi and explore fungal ‘dark matter,’ or unculturables, and (iii) functional genomics and multi-omics data integration. Power of comparative genomics has been recently demonstrated in several JGI projects targeting mycorrhizae, plant pathogens, wood decay fungi, and sugar fermenting yeasts. The largest JGI project ‘1000 Fungal Genomes’ aims at exploring the diversity across the Fungal Tree of Life in order to better understand fungal evolution and to build a catalogue of genes, enzymes, and pathways for biotechnological applications. At this point, at least 65% of over 700 known families have one or more reference genomes sequenced, enabling metagenomics studies of microbial communities and their interactions with plants. For many of the remaining families no representative species are available from culture collections. To sequence genomes of unculturable fungi two approaches have been developed: (a) sequencing DNA from fruiting bodies of ‘macro’ and (b) single cell genomics using fungal spores. The latter has been tested using zoospores from the early diverging fungi and resulted in several near-complete genomes from underexplored branches of the Fungal Tree, including the first genomes of Zoopagomycotina. Genome sequence serves as a reference for transcriptomics studies, the first step towards functional genomics. In the JGI fungal mini-ENCODE project transcriptomes of the model fungus Neurospora crassa grown on a spectrum of carbon sources have been collected to build regulatory gene networks. Epigenomics is another tool to understand gene regulation and recently introduced single molecule sequencing platforms not only provide better genome assemblies but can also detect DNA modifications. For example, 6mC methylome was surveyed across many diverse fungi and the highest among Eukaryota levels of 6mC methylation has been reported. Finally, data production at such scale requires data integration to enable efficient data analysis. Over 700 fungal genomes and other -omes have been integrated in JGI MycoCosm portal and equipped with comparative genomics tools to enable researchers addressing a broad spectrum of biological questions and applications for bioenergy and biotechnology.

Keywords: fungal genomics, single cell genomics, DNA methylation, comparative genomics

Procedia PDF Downloads 210
6099 Pressure Induced Phase Transition and Elastic Properties of Cerium Mononitride

Authors: Namrata Yaduvanshi, Shilpa Kapoor, Pooja Pawar, Sadhna Singh

Abstract:

In the present paper, we have investigated the high-pressure structural phase transition and elastic properties of cerium mononitride. We studied theoretically the structural properties of this compound (CeN) by using the Improved Interaction Potential Model (IIPM) approach. This compound exhibits first order crystallographic phase transition from NaCl (B1) to tetragonal (BCT) phase at 37 GPa. The phase transition pressures and associated volume collapse obtained from present potential model (IIPM) show a good agreement with available theoretical data.

Keywords: phase transition, volume collapse, elastic constants, three body interaction

Procedia PDF Downloads 482
6098 MegaProjects and the Governing Processes That Lead to Success and Failure: A Literature Review

Authors: Fangwei Zhu, Wei Tian, Linzhuo Wang, Miao Yu

Abstract:

Megaproject has long been a critical issue in project governance, for its low success rate and large impact on society. Although the extant literature on megaproject governance is vast, to our best knowledge, the lacking of a thorough literature review makes it hard for us to gain a holistic view on current scenario of megaproject governance. The study conducts a systematic literature review process to analyze the existing literatures on megaproject governance. The finding indicates that mega project governance needs to be handled at network level and forming a network level governance provides a holistic framework for governing megaproject towards sustainable development of the projects. Theoretical and practical implications, as well as future studies and limitations, were discussed.

Keywords: megaproject, governance, literature review, network

Procedia PDF Downloads 201
6097 Behavior of Composite Timber-Concrete Beam with CFRP Reinforcement

Authors: O. Vlcek

Abstract:

The paper deals with current issues in the research of advanced methods to increase the reliability of traditional timber structural elements. It analyses the issue of strengthening of bent timber beams, such as ceiling beams in old (historical) buildings with the additional concrete slab in combination with externally bonded fibre-reinforced polymer. The study evaluates deflection of a selected group of timber beams with concrete slab and additional CFRP reinforcement using different calculating methods and observes differences in results from different calculating methods. An elastic calculation method and evaluation with FEM analysis software were used.

Keywords: timber-concrete composite, strengthening, fibre-reinforced polymer, theoretical analysis

Procedia PDF Downloads 317
6096 Discourse Markers in Chinese University Students and Native English Speakers: A Corpus-Based Study

Authors: Dan Xie

Abstract:

The use of discourse markers (DMs) can play a crucial role in representing discourse interaction and pragmatic competence. Learners’ use of DMs and differences between native speakers (NSs) and non-native speakers (NNSs) in the use of various DMs have been the focus of considerable research attention. However, some commonly used DMs, such as you know, have not received as much attention in comparative studies, especially in the Chinese context. This study analyses data in two corpora (COLSEC and Spoken BNC 2014 (14-25)) to investigate how Chinese learners differ from NNSs in their use of the DM you know and its functions in speech. The results show that there is a significant difference between the two corpora in terms of the frequency of use of you know. In terms of the functions of you know, the study shows that six functions can all be present in both corpora, although there are significant differences between the five functional dimensions, especially in introducing a claim linked to the prior discourse and highlighting particular points in the discourse. It is hoped to show empirically how Chinese learners and NSs use DMs differently.

Keywords: you know, discourse marker, native speaker, Chinese learner

Procedia PDF Downloads 82
6095 Classification of Cochannel Signals Using Cyclostationary Signal Processing and Deep Learning

Authors: Bryan Crompton, Daniel Giger, Tanay Mehta, Apurva Mody

Abstract:

The task of classifying radio frequency (RF) signals has seen recent success in employing deep neural network models. In this work, we present a combined signal processing and machine learning approach to signal classification for cochannel anomalous signals. The power spectral density and cyclostationary signal processing features of a captured signal are computed and fed into a neural net to produce a classification decision. Our combined signal preprocessing and machine learning approach allows for simpler neural networks with fast training times and small computational resource requirements for inference with longer preprocessing time.

Keywords: signal processing, machine learning, cyclostationary signal processing, signal classification

Procedia PDF Downloads 109
6094 Single-Cell Visualization with Minimum Volume Embedding

Authors: Zhenqiu Liu

Abstract:

Visualizing the heterogeneity within cell-populations for single-cell RNA-seq data is crucial for studying the functional diversity of a cell. However, because of the high level of noises, outlier, and dropouts, it is very challenging to measure the cell-to-cell similarity (distance), visualize and cluster the data in a low-dimension. Minimum volume embedding (MVE) projects the data into a lower-dimensional space and is a promising tool for data visualization. However, it is computationally inefficient to solve a semi-definite programming (SDP) when the sample size is large. Therefore, it is not applicable to single-cell RNA-seq data with thousands of samples. In this paper, we develop an efficient algorithm with an accelerated proximal gradient method and visualize the single-cell RNA-seq data efficiently. We demonstrate that the proposed approach separates known subpopulations more accurately in single-cell data sets than other existing dimension reduction methods.

Keywords: single-cell RNA-seq, minimum volume embedding, visualization, accelerated proximal gradient method

Procedia PDF Downloads 228
6093 Overall Determinants of Foreign Direct Investment Inflows in Kenya

Authors: George Ogono Muok, N. Obange, S. A. Odhiambo

Abstract:

Empirical literature on the determinants of foreign direct investments (FDI) flows is extensive but controversial over some determinants of FDI in-flows in developing countries. The objective of this study therefore was to investigate the overall determinants of FDI inflows in Kenya. Dynamic macroeconomic theory and correlational study design provided theoretical framework for specification of a time series model. The study used data observed from 1970 to 2015 in World Development Indicators (WDI) data bank. The results show that annual growth rate of GDP, inflation rates and external debt as a proportion of GDP are significant determinants of FDI inflows in Kenya and are therefore important macroeconomic parameters for policy formulation for promotion of FDI inflows in Kenya.

Keywords: determinants of foreign, direct, investment inflows in, Kenya, Africa

Procedia PDF Downloads 286
6092 Correlations between Folate, Homocysteine Levels, and Markers of Brain Atrophy in Elderly Male and Female Rats

Authors: Fatimah A. Alhomaid, Nadia H. Mahmoud, Maha A. Al-Qaraawi

Abstract:

The present study was designed to induce hyperhomocysteinemia (HHcy) in elderly male and female rats. Also,to evaluate, the effect of (HHcy) as a risk factor for cerebrovascular disease and brain atrophy and folate supplementation on serum levels of Hcy, total cholesterol, low density lipoprotein cholesterol (LDLc), high density lipoprotein cholesterol (HDLc), triglycerides, pyridoxal phosphate , folate also, histopathological examination of brain and cerebrovascular vessels In this work 50 male and 50 female elderly albino rats were used and divided into five groups. The first group served as control, the second and third group received two different dose of L-methionine, the fourth and fifth group received fortified diet with folate powder plus L-methionine. Our results showed that homocysteine levels in male and female rats that received low and high dose of methionine were higher than in the control group, while the levels of folate significantly decreased in male rats only. Induced hyperhomocysteinemia in elderly male and female rats led to significant increase in serum level of cholesterol, LDLc and triglycerides but serum level of HDLc were significantly lower in methionine treated male and female rats than in control. Our results showed that a strong positive correlation between all these parameters and homocysteine except HDLc levels which correlate negatively to Hcy levels. Administration of folate to methionine treated male rats led to insignificant changes in the level of cholesterol when compared to control group but this level was found to be significantly decrease in female rats received small dose of methionine. When the level of cholesterol compared to the same dose of methionine treated group we found a significant decrease in both male and female rats. LDLc and triglycerides level significantly decrease in male rats only versus the control rats, while when compared to low and high dose of methionine a significant decreased occurs. A significant increase in serum level of HDLc in male and female rats when compared to both control and methionine treated groups. In male and female rats supplemented with folate we found an increased serum levels of folate when compared to rats received both dose of methionine. The levels of pyridoxal phosphate significantly decreased in all treated rats compared to the control group and its level were increased with supplementation of folate versus the rats received small and large dose of methionine. It can be concluded that hyperhomocysteinemia may be an additional risk factor for cerebrovascular atherosclesosis and brain atrophy in elderly people and diatery supplementation with folate blocking the activity of homocysteine and may be considered as a therapeutic possibility.

Keywords: hyperhomocysteinemia, brain atrophy, cerebrovascular, L-methionine, pyridoxal phosphate

Procedia PDF Downloads 304