Search results for: functional translation
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 3460

Search results for: functional translation

1780 Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide

Procedia PDF Downloads 549
1779 Motives and Barriers of Using Airbnb: Findings from Mixed Method Approach

Authors: Ghada Mohammed, Mohamed Abdel Salam, Passent Tantawi

Abstract:

The study aimed to investigate the impact of motives and barriers for Egyptian users to use Airbnb as a platform of peer-to-peer accommodation instead of hotels on overall attitude towards Airbnb. A sequential mixed-methods approach was adopted to this study and it proposed a comprehensive research model adapted from both literature and results of qualitative phase and then tested via an online questionnaire. The findings revealed that, motives, price, home benefits, privacy, and online reviews significantly explained overall attitude towards Airbnb, while the main barriers were respectively: perceived risk and distrust in which they can predict the overall attitude. While from the subjective norms, only social influence can predict behavioral intention to use Airbnb. The study may serve as a practical reference for practitioners as well as researchers when developing programs and strategies to manage Airbnb consumers' needs and decision process. Some of the main conclusions drawn from this study are that variety was one of the major things that users like about Airbnb and the most important motives are the functional ones like price rather than the experiential ones like authenticity.

Keywords: airbnb, barriers, disruptive innovation, motives, sharing economy

Procedia PDF Downloads 147
1778 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability Hyperpolarizability, and Homo–Lumo Analysis of Monomeric and Dimeric Structures of 2-Chloro-N-(2 Methylphenyl) Benzamide

Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, HOMO, LUMO, NLO

Procedia PDF Downloads 339
1777 Increasing the System Availability of Data Centers by Using Virtualization Technologies

Authors: Chris Ewe, Naoum Jamous, Holger Schrödl

Abstract:

Like most entrepreneurs, data center operators pursue goals such as profit-maximization, improvement of the company’s reputation or basically to exist on the market. Part of those aims is to guarantee a given quality of service. Quality characteristics are specified in a contract called the service level agreement. Central part of this agreement is non-functional properties of an IT service. The system availability is one of the most important properties as it will be shown in this paper. To comply with availability requirements, data center operators can use virtualization technologies. A clear model to assess the effect of virtualization functions on the parts of a data center in relation to the system availability is still missing. This paper aims to introduce a basic model that shows these connections, and consider if the identified effects are positive or negative. Thus, this work also points out possible disadvantages of the technology. In consequence, the paper shows opportunities as well as risks of data center virtualization in relation to system availability.

Keywords: availability, cloud computing IT service, quality of service, service level agreement, virtualization

Procedia PDF Downloads 536
1776 Provenance in Scholarly Publications: Introducing the provCite Ontology

Authors: Maria Joseph Israel, Ahmed Amer

Abstract:

Our work aims to broaden the application of provenance technology beyond its traditional domains of scientific workflow management and database systems by offering a general provenance framework to capture richer and extensible metadata in unstructured textual data sources such as literary texts, commentaries, translations, and digital humanities. Specifically, we demonstrate the feasibility of capturing and representing expressive provenance metadata, including more of the context for citing scholarly works (e.g., the authors’ explicit or inferred intentions at the time of developing his/her research content for publication), while also supporting subsequent augmentation with similar additional metadata (by third parties, be they human or automated). To better capture the nature and types of possible citations, in our proposed provenance scheme metaScribe, we extend standard provenance conceptual models to form our proposed provCite ontology. This provides a conceptual framework which can accurately capture and describe more of the functional and rhetorical properties of a citation than can be achieved with any current models.

Keywords: knowledge representation, provenance architecture, ontology, metadata, bibliographic citation, semantic web annotation

Procedia PDF Downloads 117
1775 Laser Additive Manufacturing of Carbon Nanotube-Reinforced Polyamide 12 Composites

Authors: Kun Zhou

Abstract:

Additive manufacturing has emerged as a disruptive technology that is capable of manufacturing products with complex geometries through an accumulation of material feedstock in a layer-by-layer fashion. Laser additive manufacturing such as selective laser sintering has excellent printing resolution, high printing speed and robust part strength, and has led to a widespread adoption in the aerospace, automotive and biomedical industries. This talk highlights and discusses the recent work we have undertaken in the development of carbon nanotube-reinforced polyamide 12 (CNT/PA12) composites printed using laser additive manufacturing. Numerical modelling studies have been conducted to simulate various processes within laser additive manufacturing of CNT/PA12 composites, and extensive experimental work has been carried out to investigate the mechanical and functional properties of the printed parts. The results from these studies grant a deeper understanding of the intricate mechanisms occurring within each process and enables an accurate optimization of process parameters for the CNT/PA12 and other polymer composites.

Keywords: CNT/PA12 composites, laser additive manufacturing, process parameter optimization, numerical modeling

Procedia PDF Downloads 153
1774 Comparative Study Between Continuous Versus Pulsed Ultrasound in Knee Osteoarthritis

Authors: Karim Mohamed Fawzy Ghuiba, Alaa Aldeen Abd Al Hakeem Balbaa, Shams Elbaz

Abstract:

Objectives: To compare between the effects continuous and pulsed ultrasound on pain and function in patient with knee osteoarthritis. Design: Randomized-Single blinded Study. Participants: 6 patients with knee osteoarthritis with mean age 53.66±3.61years, Altman Grade II or III. Interventions: Subjects were randomly assigned into two groups; Group A received continuous ultrasound and Group B received pulsed ultrasound. Outcome measures: Effects of pulsed and continuous ultrasound were evaluated by pain threshold assessed by visual analogue scale (VAS) scores and function assessed by the Western Ontario and McMaster Universities osteoarthritis index (WOMAC) scores. Results: There was no significant decrease in VAS and WOMAC scores in patients treated with pulsed or continuous ultrasound; and there were no significant differences between both groups. Conclusion: there is no difference between the effects of pulsed and continuous ultrasound in pain relief or functional outcome in patients with knee osteoarthritis.

Keywords: knee osteoarthritis, pulsed ultrasound, ultrasound therapy, continuous ultrasound

Procedia PDF Downloads 285
1773 Polyhedral Oligomeric Silsesquioxane in Poly Lactic Acid and Poly Butylene Adipate-Co-Terephthalate Blend

Authors: Elahe Moradi, Hoseinali A. Khonakdar

Abstract:

The escalating interest in renewable polymers is undeniable, albeit accompanied by inherent challenges. In our study, we endeavored to make a significant contribution to environmental conservation by introducing an eco-friendly structure, developed through an innovative approach. Specifically, we enhanced the compatibility between two immiscible polymers, namely poly (lactic acid) (PLA) and poly (butylene adipate-co-terephthalate) (PBAT). Our strategy involved the use of polyhedral oligomeric silsesquioxanes (POSS) nanoparticles, equipped with an epoxy functional group (Epoxy-POSS), to accomplish this objective with solution casting method. The incorporation of 1% nanoparticles into the PLA blend resulted in a decrease in its cold crystallization temperature. Furthermore, these nanoparticles possess the requisite capability to enhance molecular mobility, facilitated by the induction of a lubrication effect. The emergence of a PLA-CO-POSS-CO-PBAT structure at the interface between PLA and PBAT led to a significant amplification of the interactions at the interface of the matrix and the dispersed phase.

Keywords: compatibilization, thermal behavior, structure-properties, nanocomposite, PLA, PBAT

Procedia PDF Downloads 53
1772 Derivation of Human NK Cells from T Cell-Derived Induced Pluripotent Stem Cells Using Xenogeneic Serum-Free and Feeder Cell-Free Culture System

Authors: Aliya Sekenova, Vyacheslav Ogay

Abstract:

The derivation of human induced pluripotent stem cells (iPSCs) from somatic cells by direct reprogramming opens wide perspectives in the regenerative medicine. It means the possibility to develop the personal and, consequently, any immunologically compatible cells for applications in cell-based therapy. The purpose of our study was to develop the technology for the production of NK cells from T cell-derived induced pluripotent stem cells (TiPSCs) for subsequent application in adoptive cancer immunotherapy. Methods: In this study iPSCs were derived from peripheral blood T cells using Sendai virus vectors expressing Oct4, Sox2, Klf4 and c-Myc. Pluripotent characteristics of TiPSCs were examined and confirmed with alkaline phosphatase staining, immunocytochemistry and RT-PCR analysis. For NK cell differentiation, embryoid bodies (EB) formed from (TiPSCs) were cultured in xenogeneic serum-free medium containing human serum, IL-3, IL-7, IL-15, SCF, FLT3L without using M210-B4 and AFT-024 stromal feeder cells. After differentiation, NK cells were characterized with immunofluorescence analysis, flow cytometry and cytotoxicity assay. Results: Here, we for the first time demonstrate that TiPSCs can effectively differentiate into functionally active NK cells without M210-B4 and AFT-024 xenogeneic stroma cells. Immunofluorescence and flow cytometry analysis showed that EB-derived cells can differentiate into a homogeneous population of NK cell expressing high levels of CD56, CD45 and CD16 specific markers. Moreover, these cells significantly express killing activation receptors such as NKp44 and NKp46. In the comparative analysis, we observed that NK cells derived using feeder-free culture system have more high killing activity against K-562 tumor cells, than NK cells derived by feeder-dependent method. Thus, we think that our obtained data will be useful for the development of large-scale production of NK cells for translation into cancer immunotherapy.

Keywords: induced pluripotent stem cells, NK cells, T cells, cell diffentiation, feeder cell-free culture system

Procedia PDF Downloads 326
1771 A Proposal to Integrate Spatially Explicit Ecosystem Services with Urban Metabolic Modelling

Authors: Thomas Elliot, Javier Babi Almenar, Benedetto Rugani

Abstract:

The integration of urban metabolism (UM) with spatially explicit ecosystem service (ES) stocks has the potential to advance sustainable urban development. It will correct the lack of spatially specificity of current urban metabolism models. Furthermore, it will include into UM not only the physical properties of material and energy stocks and flows, but also the implications to the natural capital that provides and maintains human well-being. This paper presents the first stages of a modelling framework by which urban planners can assess spatially the trade-offs of ES flows resulting from urban interventions of different character and scale. This framework allows for a multi-region assessment which takes into account sustainability burdens consequent to an urban planning event occurring elsewhere in the environment. The urban boundary is defined as the Functional Urban Audit (FUA) method to account for trans-administrative ES flows. ES are mapped using CORINE land use within the FUA. These stocks and flows are incorporated into a UM assessment method to demonstrate the transfer and flux of ES arising from different urban planning implementations.

Keywords: ecological economics, ecosystem services, spatial planning, urban metabolism

Procedia PDF Downloads 333
1770 Biosorption of Cu (II) and Zn (II) from Real Wastewater onto Cajanus cajan Husk

Authors: Mallappa A. Devani, John U. Kennedy Oubagaranadin, Basudeb Munshi

Abstract:

In this preliminary work, locally available husk of Cajanus cajan (commonly known in India as Tur or Arhar), a bio-waste, has been used in its physically treated and chemically activated form for the removal of binary Cu (II) and Zn(II) ions from the real waste water obtained from an electroplating industry in Bangalore, Karnataka, India and from laboratory prepared binary solutions having almost similar composition of the metal ions, for comparison. The real wastewater after filtration and dilution for five times was used for biosorption studies at the normal pH of the solutions at room temperature. Langmuir's binary model was used to calculate the metal uptake capacities of the biosorbents. It was observed that Cu(II) is more competitive than Zn(II) in biosorption. In individual metal biosorption, Cu(II) uptake was found to be more than that of the Zn(II) and a similar trend was observed in the binary metal biosorption from real wastewater and laboratory prepared solutions. FTIR analysis was carried out to identify the functional groups in the industrial wastewater and EDAX for the elemental analysis of the biosorbents after experiments.

Keywords: biosorption, Cajanus cajan, multi metal remediation, wastewater

Procedia PDF Downloads 386
1769 The Impact of the Windows Opening on the Design of Buildings in Islamic Architecture

Authors: Salma I. Dwidar, Amal A. Abdel-Sattar

Abstract:

The window openings are the key to the relationship between the inside and the outside of any building. It is the eye that sees from, the lunges of the construction, and the ear to hear. The success of the building, as well as the comfort of the uses, depends mainly on this relationship. Usually, windows are affected by human factors like religious, social, political and economic factors as well as environmental factors like climatic, aesthetic and functional factors. In Islamic architecture, the windows were one of the most important elements of physiological and psychological comfort to the users of the buildings. Windows considered one of the main parameters in designing internal and external facade, where the window openings occupied a big part of the formation of the external facade of the buildings. This paper discusses the importance of the window openings and its relationship to residential buildings in the Islamic architecture. It addresses the rules that have been followed in the design of windows in Islamic architecture to achieve privacy and thermal comfort while there are no technological elements within the dwellings. Also, it demonstrates the effects of windows on the building form and identity and how it gives a distinctive fingerprint of the architecture buildings.

Keywords: window openings, thermal comfort, residential buildings, the Islamic architecture, human considerations

Procedia PDF Downloads 222
1768 In-Situ Reactive Growth of Silver Nanoparticles on Cotton Textile for Antiviral and Electromagnetic Shielding Applications

Authors: Hamed Mohammadi Mofarah, Mutalifu Abulikemu, Ghassan E. Jabbour

Abstract:

Personal protective equipment (PPE) is finding increasing interest in incorporating silver nanoparticles (NPs) for various applications including microbial disinfection and shielding against electromagnetic waves. In this venue, we present an in situ reactive coating approach where silver nanoparticles are self-assembled on the surface of cotton yarn. The impacts of a variety of experimental parameters on the average size of the synthesized silver NPs were investigated. These include vacuum conditions, the concentration of the silver salt solution and reducer, temperature, and curing time. Silver NPs with an average size ranging from 10 to 50 nanometers were self-assembled as a result of careful regulation of such reaction conditions. The disinfection efficacy against the COVID surrogate virus of the functional textile reached a rate of 99.99%. On the other hand, the silver NPs decorated textile demonstrated an electromagnetic shielding ranging from 31 dB to 45 dB were achieved for the frequency range 8.2-12.4 GHz.

Keywords: antiviral, COVID, electromagnetic shielding, in-situ reactive coating, SARS CoV 2, silver nanoparticles, smart textile

Procedia PDF Downloads 99
1767 Developing a Systems Dynamics Model for Security Management

Authors: Kuan-Chou Chen

Abstract:

This paper will demonstrate a simulation model of an information security system by using the systems dynamic approach. The relationships in the system model are designed to be simple and functional and do not necessarily represent any particular information security environments. The purpose of the paper aims to develop a generic system dynamic information security system model with implications on information security research. The interrelated and interdependent relationships of five primary sectors in the system dynamic model will be presented in this paper. The integrated information security systems model will include (1) information security characteristics, (2) users, (3) technology, (4) business functions, and (5) policy and management. Environments, attacks, government and social culture will be defined as the external sector. The interactions within each of these sectors will be depicted by system loop map as well. The proposed system dynamic model will not only provide a conceptual framework for information security analysts and designers but also allow information security managers to remove the incongruity between the management of risk incidents and the management of knowledge and further support information security managers and decision makers the foundation for managerial actions and policy decisions.

Keywords: system thinking, information security systems, security management, simulation

Procedia PDF Downloads 430
1766 Design Modification in CNC Milling Machine to Reduce the Weight of Structure

Authors: Harshkumar K. Desai, Anuj K. Desai, Jay P. Patel, Snehal V. Trivedi, Yogendrasinh Parmar

Abstract:

The need of continuous improvement in a product or process in this era of global competition leads to apply value engineering for functional and aesthetic improvement in consideration with economic aspect too. Solar industries located at G.I.D.C., Makarpura, Vadodara, Gujarat, India; a manufacturer of variety of CNC Machines had a challenge to analyze the structural design of column, base, carriage and table of CNC Milling Machine in the account of reduction of overall weight of a machine without affecting the rigidity and accuracy at the time of operation. The identified task is the first attempt to validate and optimize the proposed design of ribbed structure statically using advanced modeling and analysis tools in a systematic way. Results of stress and deformation obtained using analysis software are validated with theoretical analysis and found quite satisfactory. Such optimized results offer a weight reduction of the final assembly which is desired by manufacturers in favor of reduction of material cost, processing cost and handling cost finally.

Keywords: CNC milling machine, optimization, finite element analysis (FEA), weight reduction

Procedia PDF Downloads 277
1765 Image Processing-Based Maize Disease Detection Using Mobile Application

Authors: Nathenal Thomas

Abstract:

In the food chain and in many other agricultural products, corn, also known as maize, which goes by the scientific name Zea mays subsp, is a widely produced agricultural product. Corn has the highest adaptability. It comes in many different types, is employed in many different industrial processes, and is more adaptable to different agro-climatic situations. In Ethiopia, maize is among the most widely grown crop. Small-scale corn farming may be a household's only source of food in developing nations like Ethiopia. The aforementioned data demonstrates that the country's requirement for this crop is excessively high, and conversely, the crop's productivity is very low for a variety of reasons. The most damaging disease that greatly contributes to this imbalance between the crop's supply and demand is the corn disease. The failure to diagnose diseases in maize plant until they are too late is one of the most important factors influencing crop output in Ethiopia. This study will aid in the early detection of such diseases and support farmers during the cultivation process, directly affecting the amount of maize produced. The diseases in maize plants, such as northern leaf blight and cercospora leaf spot, have distinct symptoms that are visible. This study aims to detect the most frequent and degrading maize diseases using the most efficiently used subset of machine learning technology, deep learning so, called Image Processing. Deep learning uses networks that can be trained from unlabeled data without supervision (unsupervised). It is a feature that simulates the exercises the human brain goes through when digesting data. Its applications include speech recognition, language translation, object classification, and decision-making. Convolutional Neural Network (CNN) for Image Processing, also known as convent, is a deep learning class that is widely used for image classification, image detection, face recognition, and other problems. it will also use this algorithm as the state-of-the-art for my research to detect maize diseases by photographing maize leaves using a mobile phone.

Keywords: CNN, zea mays subsp, leaf blight, cercospora leaf spot

Procedia PDF Downloads 74
1764 Investigation of the Perceptional Quality of Nightscape in the Urban Space: A Case Study of Mashhad Koohsangi Axis in Iran

Authors: Fahimeh Khatami, Maryam Ziyaee, Elham Sanagar Darbani

Abstract:

Variety of different factors could influence on the measure urban perception. Both physical and non-physical factors, at least, make the quality of perception through the urban spaces. The value of lighting is one of the important factors which could make the better quality of environmental perception for the user. The perception of urban space in most of the Iranian cities is offer by different factors during the night time which caused to the death of nightlife and social activities. Therefore, this research is an attempt to study on the different of user perception during day and night in the Koohsangi Street. As the case study area in Iran in order to bring out the main influential factors during perception process. To deal with this good we used chi-square test on a sample size made up of on hundred participants. The result shows that for improving the night quality of urban spaces the legibility, navigation, and role stimulation were in important perception factors. Therefore, by focusing on these factors it would be possible to find out more functional solution for improving the activity of night perception.

Keywords: perception, urban space, legibility, imageability, nightscape

Procedia PDF Downloads 315
1763 Coordination Behavior, Theoretical Studies, and Biological Activity of Some Transition Metal Complexes with Oxime Ligands

Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank

Abstract:

The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands : glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.

Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity

Procedia PDF Downloads 107
1762 Coordination Behavior, Theoretical studies and Biological Activity of Some Transition Metal Complexes with Oxime Ligands

Authors: Noura Kichou, Manel Tafergguenit, Nabila Ghechtouli, Zakia Hank

Abstract:

The aim of this work is to synthesize, characterize and evaluate the biological activity of two Ligands: glyoxime and dimethylglyoxime, and their metal Ni(II) chelates. The newly chelates were characterized by elemental analysis, IR, EPR, nuclear magnetic resonances (1H and 13C), and biological activity. The antibacterial and antifungal activities of the ligands and its metal complexes were screened against bacterial species (Staphylococcus aureus, Bacillus subtilis, and Escherichia coli) and fungi (Candida albicans). Ampicillin and amphotericin were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with parent free ligand against bacterial and fungal species. A structural, energetic, and electronic theoretical study was carried out using the DFT method, with the functional B3LYP and the gaussian program 09. A complete optimization of geometries was made, followed by a calculation of the frequencies of the normal modes of vibration. The UV spectrum was also interpreted. The theoretical results were compared with the experimental data.

Keywords: glyoxime, dimetylglyoxime, nickel, antibacterial activity

Procedia PDF Downloads 112
1761 Electronic and Optical Properties of Orthorhombic NdMnO3 with the Modified Becke-Johnson Potential

Authors: B. Bouadjemi, S. Bentata, T. Lantri, A. Abbad, W. Benstaali, A. Zitouni, S. Cherid

Abstract:

We investigate the electronic structure, magnetic and optical properties of the orthorhombic NdMnO3 through density-functional-theory (DFT) calculations using both generalized gradient approximation GGA and GGA+U approaches, the exchange and correlation effects are taken into account by an orbital independent modified Becke Johnson (MBJ). The predicted band gaps using the MBJ exchange approximation show a significant improvement over previous theoretical work with the common GGA and GGA+U very closer to the experimental results. Band gap dependent optical parameters like dielectric constant, index of refraction, absorption coefficient, reflectivity and conductivity are calculated and analyzed. We find that when using MBJ we have obtained better results for band gap of NdMnO3 than in the case of GGA and GGA+U. The values of band gap founded in this work by MBJ are in a very good agreement with corresponding experimental values compared to other calculations. This comprehensive theoretical study of the optoelectronic properties predicts that this material can be effectively used in optical devices.

Keywords: DFT, optical properties, absorption coefficient, strong correlation, MBJ, orthorhombic NdMnO3, optoelectronic

Procedia PDF Downloads 909
1760 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide

Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui

Abstract:

The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.

Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability

Procedia PDF Downloads 325
1759 Contextual SenSe Model: Word Sense Disambiguation using Sense and Sense Value of Context Surrounding the Target

Authors: Vishal Raj, Noorhan Abbas

Abstract:

Ambiguity in NLP (Natural language processing) refers to the ability of a word, phrase, sentence, or text to have multiple meanings. This results in various kinds of ambiguities such as lexical, syntactic, semantic, anaphoric and referential am-biguities. This study is focused mainly on solving the issue of Lexical ambiguity. Word Sense Disambiguation (WSD) is an NLP technique that aims to resolve lexical ambiguity by determining the correct meaning of a word within a given context. Most WSD solutions rely on words for training and testing, but we have used lemma and Part of Speech (POS) tokens of words for training and testing. Lemma adds generality and POS adds properties of word into token. We have designed a novel method to create an affinity matrix to calculate the affinity be-tween any pair of lemma_POS (a token where lemma and POS of word are joined by underscore) of given training set. Additionally, we have devised an al-gorithm to create the sense clusters of tokens using affinity matrix under hierar-chy of POS of lemma. Furthermore, three different mechanisms to predict the sense of target word using the affinity/similarity value are devised. Each contex-tual token contributes to the sense of target word with some value and whichever sense gets higher value becomes the sense of target word. So, contextual tokens play a key role in creating sense clusters and predicting the sense of target word, hence, the model is named Contextual SenSe Model (CSM). CSM exhibits a noteworthy simplicity and explication lucidity in contrast to contemporary deep learning models characterized by intricacy, time-intensive processes, and chal-lenging explication. CSM is trained on SemCor training data and evaluated on SemEval test dataset. The results indicate that despite the naivety of the method, it achieves promising results when compared to the Most Frequent Sense (MFS) model.

Keywords: word sense disambiguation (wsd), contextual sense model (csm), most frequent sense (mfs), part of speech (pos), natural language processing (nlp), oov (out of vocabulary), lemma_pos (a token where lemma and pos of word are joined by underscore), information retrieval (ir), machine translation (mt)

Procedia PDF Downloads 108
1758 Roadway Maintenance Management System

Authors: Chika Catherine Ayogu

Abstract:

Rehabilitation plays an important and integral part in the life of roadway rehabilitation management system. It is a systematic method for inspection and rating the roadway condition in a given area. The system performs a cost effective analysis of various maintenance and rehabilitation strategies. Finally the system prioritize and recommend roadway rehabilitation and maintenance to maximize results within a given budget amount. During execution of maintenance activity, the system also tracks labour, materials, equipment and cost for activities performed. The system implements physical assessment field inspection and rating of each street segment which is then entered into a database. The information is analyzed using a software, and provide recommendations and project future conditions. The roadway management system provides a deterioration curve for each segment based on input then assigns the most cost-effective maintenance strategy based on conditions, surface type and functional classification, and available budget. This paper investigates the roadway management system and its capabilities to assist in applying the right treatment to the right roadway at the right time so that expected service life of the roadway is extended as long as possible with acceptable cost.

Keywords: effectiveness, rehabilitation, roadway, software system

Procedia PDF Downloads 150
1757 Idiopathic Gingival Fibromatosis

Authors: Bandana Koirala, Shivalal Sharma

Abstract:

Introduction: Gingival enlargements are quite common and may be either inflammatory, non-inflammatory or a combination of both. Idiopathic gingival enlargement is a rare condition with a proliferative fibrous lesion of the gingival tissue that causes esthetic and functional problems. It is of undetermined etiology. Case Description: This case report addresses the diagnosis and treatment of a case of idiopathic gingival enlargement in a 9-year-old male patient. The patient presented with a generalized diffuse gingival enlargement involving the entire maxillary and the mandibular arch with extension on occlusal, buccal, lingual, and palatal surfaces with just parts of occlusal surfaces of few upper and lower molars visible resulting in open mouth, difficulty in mastication and speech. Biopsy report confirmed the diagnosis of fibromatosis gingivae. Gingivectomy was carried out in all four quadrants by using external bevel incision. Conclusion: Though total esthetics could not be restored due to unusual bony enlargement, the general appearance improved satisfactorily. Treatment after complete excision however, improved the masticatory competence to a great extent.

Keywords: idiopathic gingival fibromatosis, gingival enlargement, gingivectomy, medical and health sciences

Procedia PDF Downloads 329
1756 Influence of the Refractory Period on Neural Networks Based on the Recognition of Neural Signatures

Authors: José Luis Carrillo-Medina, Roberto Latorre

Abstract:

Experimental evidence has revealed that different living neural systems can sign their output signals with some specific neural signature. Although experimental and modeling results suggest that neural signatures can have an important role in the activity of neural networks in order to identify the source of the information or to contextualize a message, the functional meaning of these neural fingerprints is still unclear. The existence of cellular mechanisms to identify the origin of individual neural signals can be a powerful information processing strategy for the nervous system. We have recently built different models to study the ability of a neural network to process information based on the emission and recognition of specific neural fingerprints. In this paper we further analyze the features that can influence on the information processing ability of this kind of networks. In particular, we focus on the role that the duration of a refractory period in each neuron after emitting a signed message can play in the network collective dynamics.

Keywords: neural signature, neural fingerprint, processing based on signal identification, self-organizing neural network

Procedia PDF Downloads 492
1755 A Genre Analysis of University Lectures

Authors: Lee Kok Yueh, Fatin Hamadah Rahman, David Hassell, Au Thien Wan

Abstract:

This work reports on a genre based study of lectures at a University in Brunei, Universiti Teknologi Brunei to explore the communicative functions and to gain insight into the discourse. It explores these in three different domains; Social Science, Engineering and Computing. Audio recordings from four lecturers comprising 20 lectures were transcribed and analysed, with the duration of each lecture varying between 20 to 90 minutes. This qualitative study found similar patterns and functions of lectures as those found in existing research amongst which include greetings, housekeeping, or recapping of previous lectures in the lecture introductions. In the lecture content, comprehension check and use of examples or analogies are very prevalent. However, the use of examples largely depend on the lecture content; and the more technical the content, the harder it was for lecturers to provide examples or analogies. Three functional moves are identified in the lecture conclusions; announcement, summary and future plan, all of which are optional. Despite the relatively small sample size, the present study shows that lectures are interactive and there are some consistencies with the delivery of lecture in relation to the communicative functions and genre of lecture.

Keywords: communicative functions, genre analysis, higher education, lectures

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1754 Experimental Study and Neural Network Modeling in Prediction of Surface Roughness on Dry Turning Using Two Different Cutting Tool Nose Radii

Authors: Deba Kumar Sarma, Sanjib Kr. Rajbongshi

Abstract:

Surface finish is an important product quality in machining. At first, experiments were carried out to investigate the effect of the cutting tool nose radius (considering 1mm and 0.65mm) in prediction of surface finish with process parameters of cutting speed, feed and depth of cut. For all possible cutting conditions, full factorial design was considered as two levels four parameters. Commercial Mild Steel bar and High Speed Steel (HSS) material were considered as work-piece and cutting tool material respectively. In order to obtain functional relationship between process parameters and surface roughness, neural network was used which was found to be capable for the prediction of surface roughness within a reasonable degree of accuracy. It was observed that tool nose radius of 1mm provides better surface finish in comparison to 0.65 mm. Also, it was observed that feed rate has a significant influence on surface finish.

Keywords: full factorial design, neural network, nose radius, surface finish

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1753 Psychosocial Experience of Parents of Children with Conduct Disorder in Thulamela, South Africa

Authors: Constance Singo, Choja Oduaran

Abstract:

Child mental disorders are strongly associated with different forms of challenges, including behavioural problems. The burden of care for children with a mental disorder is high and put primary caregivers, parents in particular, at risk of poor mental wellbeing. Understanding the experience of parents of children with mental disorders is crucial to developing a relevant intervention to assist them to attain optimal mental wellbeing. The aim of this study was to explore the experiences of parents of children with conduct disorder by focussing on the psychological and social stress experience of the parents in raising and caring for their children with conduct disorder. A qualitative research approach, using in-depth interview was utilized in this study. Purposive and snowballing sampling techniques were used to select 9 parents of children with conduct disorder in Thulamela Municipality, Limpopo Province of South Africa. Participants comprising of 2 males and 7 females aged between 30 years and 49 years were interviewed individually at scheduled appointment in-home setting. Interviews were conducted in both English and Setswana language. Data collected in Setswana language were translated to English by 'expert in language translation'. Ethical approval was obtained from appropriate authority before data collection. Thematic analysis was conducted to analyse the collected data. The findings identified anger, fear, depressive symptoms, denial, and suicidal ideation as predominant psychological experiences of the parents. Furthermore, deteriorated interpersonal relationships with family and community members, financial stress, and stigma emerged as social problems being the experience of the parents. It was concluded that parents of children with conduct disorder are highly traumatized by the challenges of caring for their children. We recommend professional engagement in terms of counselling service to support the parents. There is also a need for massive enlightenment programmes for members of the community in order to support the parents of children with child mental disorders.

Keywords: conduct disorder, parents, psychosocial experiences, South Africa

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1752 A Positive Neuroscience Perspective for Child Development and Special Education

Authors: Amedeo D'Angiulli, Kylie Schibli

Abstract:

Traditionally, children’s brain development research has emphasized the limitative aspects of disability and impairment, electing as an explanatory model the classical clinical notions of brain lesion or functional deficit. In contrast, Positive Educational Neuroscience (PEN) is a new approach that emphasizes strengths and human flourishing related to the brain by exploring how learning practices have the potential to enhance neurocognitive flexibility through neuroplastic overcompensation. This mini-review provides an overview of PEN and shows how it links to the concept of neurocognitive flexibility. We provide examples of how the present concept of neurocognitive flexibility can be applied to special education by exploring examples of neuroplasticity in the learning domain, including: (1) learning to draw in congenitally totally blind children, and (2) music training in children from disadvantaged neighborhoods. PEN encourages educators to focus on children’s strengths by recognizing the brain’s capacity for positive change and to incorporate activities that support children’s individual development.

Keywords: neurocognitive development, positive educational neuroscience, sociocultural approach, special education

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1751 First Principle Calculations of the Structural and Optoelectronic Properties of Cubic Perovskite CsSrF3

Authors: Meriem Harmel, Houari Khachai

Abstract:

We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

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