Search results for: chain stability
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 5039

Search results for: chain stability

1259 How Did a Blind Child Begin Understanding Her “Blind Self”?: A Longitudinal Analysis Of Conversation between Her and Adults

Authors: Masahiro Nochi

Abstract:

This study explores the process in which a Japanese child with congenital blindness deepens understanding of the condition of being “unable to see” and develops the idea of “blind self,” despite having no direct experience of vision. The rehabilitation activities of a child with a congenital visual impairment that were video-recorded from 1 to 6 years old were analyzed qualitatively. The duration of the video was about 80 hours. The recordings were transcribed verbatim, and the episodes in which the child used the words related to the act of “looking” were extracted. Detailed transcripts were constructed referencing the notations of conversation analysis. Characteristics of interactions in those episodes were identified and compared longitudinally. Results showed that the child used the expression "look" under certain interaction patterns and her body expressions and interaction with adults developed in conjunction with the development of language use. Four stages were identified. At the age of 1, interactions involving “look” began to occur. The child said "Look" in the sequence: the child’s “Look,” an adult’s “I’m looking,” certain performances by the child, and the adult’s words of praise. At the age of 3, the child began to behave in accordance with the spatial attributes of the act of "looking," such as turning her face to the adult’s voice before saying, “Look.” She also began to use the expression “Keep looking,” which seemed to reflect her understanding of the temporality of the act of “looking.” At the age of 4, the use of “Look” or “Keep looking” became three times more frequent. She also started to refer to the act of looking in the future, such as “Come and look at my puppy someday.” At the age of 5, she moved her hands toward the adults when she was holding something she wanted to show them. She seemed to understand that people could see the object more clearly when it was in close priximity. About that time, she began to say “I cannot see” to her mother, which suggested a heightened understanding of her own blindness. The findings indicate that as she grew up, the child came to utilize nonverbal behavior before and after the order "Look" to make the progress of the interaction with adults even more certain. As a result, actions that reflect the characteristics of the sighted person's visual experience were incorporated into the interaction chain. The purpose of "Look," with which she intended to attract the adult's attention at first, changed and became something that requests a confirmation she was unable to make herself. It is considered that such a change in the use of the word as well as interaction with sighted adults reflected her heightened self-awareness as someone who could not do what sighted people could do easily. A blind child can gradually deepen their understanding of their own characteristics of blindness among sighted people around them. The child can also develop “blind self” by learning how to interact with others even without direct visual experiences.

Keywords: blindness, child development, conversation analysis, self-concept

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1258 Halogenated Methoxy- and Methyl-benzoic Acids: Joint Experimental and DFT Study For Molecular Structure, Vibrational Analysis, and Other Molecular Properties

Authors: Boda Sreenivas, Lyathakula Ravindranath, Kanugula Srishailam, Byru Venkatram Reddy

Abstract:

Extensive research into the optimized structure and molecular properties of 3-Flouro-2-methylbenzoicacid(FMB), 3-Chloro-2-methoxybenzoicacid (CMB), and 3-Bromo-2-methylbenzoicacid (BMB) was carried out using FT-IR, FT-Raman and UV-Visible spectra, as well as theoretically using the DFT approach with B3LYPfunctional in conjunction with 6-311++G(d,p) basis set. The optimized structure was determined by evaluating torsional scans about free rotation bonds. Structure parameters, harmonic vibrational frequencies, potential energy distribution(PED), and infrared and Raman intensities were computed. The computational results from the DFT approach, such asFT-IR, FT-Raman, and UV-Visible spectra, were compared with the experimental results and found good agreement. Observed and calculated frequencies agreed with an rms error of 8.42, 6.60, and 6.95 cm-1 for FMB, CMB, and BMB, respectively. Unambiguous vibrational assignments were made for all fundamentals using PED and eigenvectors. The electronic HOMO-LUMO, H-bonding, and strong conjugative interactions across different molecular entities are discussed using experimental and simulated Ultraviolet-Visible spectra. The title molecules' molecular properties such as dipole moment, mean polarizability, and first-order hyperpolarizability, were calculated to study their non-linear optical (NLO) behavior. The chemical reactivity descriptors and mapped electrostatic surface potential (MESP) were also evaluated. Natural bond orbital (NBO) analysis was used to examine the stability of molecules resulting from hyperconjugative interactions and charge delocalization.

Keywords: ftir/raman spectra, DFT, NLO, homo-lumo, NBO, halogenated benzoic acids

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1257 Quantum Engine Proposal using Two-level Atom Like Manipulation and Relativistic Motoring Control

Authors: Montree Bunruangses, Sonath Bhattacharyya, Somchat Sonasang, Preecha Yupapin

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A two-level system is manipulated by a microstrip add-drop circuit configured as an atom like system for wave-particle behavior investigation when its traveling speed along the circuit perimeter is the speed of light. The entangled pair formed by the upper and lower sideband peaks is bound by the angular displacement, which is given by 0≤θ≤π/2. The control signals associated with 3-peak signal frequencies are applied by the external inputs via the microstrip add-drop multiplexer ports, where they are time functions without the space term involved. When a system satisfies the speed of light conditions, the mass term has been changed to energy based on the relativistic limit described by the Lorentz factor and Einstein equation. The different applied frequencies can be utilized to form the 3-phase torques that can be applied for quantum engines. The experiment will use the two-level system circuit and be conducted in the laboratory. The 3-phase torques will be recorded and investigated for quantum engine driving purpose. The obtained results will be compared to the simulation. The optimum amplification of torque can be obtained by the resonant successive filtering operation. Torque will be vanished when the system is balanced at the stopped position, where |Time|=0, which is required to be a system stability condition. It will be discussed for future applications. A larger device may be tested in the future for realistic use. A synchronous and asynchronous driven motor is also discussed for the warp drive use.

Keywords: quantum engine, relativistic motor, 3-phase torque, atomic engine

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1256 Dynamic Network Approach to Air Traffic Management

Authors: Catia S. A. Sima, K. Bousson

Abstract:

Congestion in the Terminal Maneuvering Areas (TMAs) of larger airports impacts all aspects of air traffic flow, not only at national level but may also induce arrival delays at international level. Hence, there is a need to monitor appropriately the air traffic flow in TMAs so that efficient decisions may be taken to manage their occupancy rates. It would be desirable to physically increase the existing airspace to accommodate all existing demands, but this question is entirely utopian and, given this possibility, several studies and analyses have been developed over the past decades to meet the challenges that have arisen due to the dizzying expansion of the aeronautical industry. The main objective of the present paper is to propose concepts to manage and reduce the degree of uncertainty in the air traffic operations, maximizing the interest of all involved, ensuring a balance between demand and supply, and developing and/or adapting resources that enable a rapid and effective adaptation of measures to the current context and the consequent changes perceived in the aeronautical industry. A central task is to emphasize the increase in air traffic flow management capacity to the present day, taking into account not only a wide range of methodologies but also equipment and/or tools already available in the aeronautical industry. The efficient use of these resources is crucial as the human capacity for work is limited and the actors involved in all processes related to air traffic flow management are increasingly overloaded and, as a result, operational safety could be compromised. The methodology used to answer and/or develop the issues listed above is based on the advantages promoted by the application of Markov Chain principles that enable the construction of a simplified model of a dynamic network that describes the air traffic flow behavior anticipating their changes and eventual measures that could better address the impact of increased demand. Through this model, the proposed concepts are shown to have potentials to optimize the air traffic flow management combined with the operation of the existing resources at each moment and the circumstances found in each TMA, using historical data from the air traffic operations and specificities found in the aeronautical industry, namely in the Portuguese context.

Keywords: air traffic flow, terminal maneuvering area, TMA, air traffic management, ATM, Markov chains

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1255 Influence of Yeast Strains on Microbiological Stability of Wheat Bread

Authors: E. Soboleva, E. Sergachyova, S. G. Davydenko, T. V. Meledina

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Problem of food preservation is extremely important for mankind. Viscous damage ("illness") of bread results from development of Bacillus spp. bacteria. High temperature resistant spores of this microorganism are steady against 120°C) and remain in bread during pastries, potentially causing spoilage of the final product. Scientists are interested in further characterization of bread spoiling Bacillus spp. species. Our aim was to find weather yeast Saccharomyces cerevisiae strains that are able to produce natural antimicrobial killer factor can preserve bread illness. By diffusion method, we showed yeast antagonistic activity against spore-forming bacteria. Experimental technological parameters were the same as for bakers' yeasts production on the industrial scale. Risograph test during dough fermentation demonstrated gas production. The major finding of the study was a clear indication of the presence of killer yeast strain antagonistic activity against rope in bread causing bacteria. After demonstrating antagonistic effect of S. cerevisiae on bacteria using solid nutrient medium, we tested baked bread under provocative conditions. We also measured formation of carbon dioxide in the dough, dough-making duration and quality of the final products, when using different strains of S. cerevisiae. It is determined that the use of yeast S. cerevisiae RCAM 01730 killer strain inhibits appearance of rope in bread. Thus, natural yeast antimicrobial killer toxin, produced by some S. cerevisiae strains is an anti-rope in bread protector.

Keywords: bakers' yeasts, killer toxin, rope in bread, Saccharomyces cerevisiæ

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1254 The Reason Why Al-Kashi’s Understanding of Islamic Arches Was Wrong

Authors: Amin Moradi, Maryam Moeini

Abstract:

It is a widely held view that Ghiyath al-Din Jamshid-e-Kashani, also known as al-Kashi (1380-1429 CE), was the first who played a significant role in the interaction between mathematicians and architects by introducing theoretical knowledge in Islamic architecture. In academic discourses, geometric rules extracted from his splendid volume titled as Key of Arithmetic has uncritically believed by historians of architecture to contemplate the whole process of arch design all throughout the Islamic buildings. His theories tried to solve the fundamental problem of structural design and to understand what makes an Islamic structure safe or unsafe. As a result, al-Kashi arrived at the conclusion that a safe state of equilibrium is achieved through a specific geometry as a rule. This paper reassesses the stability of al-Kashi's systematized principal forms to evaluate the logic of his hypothesis with a special focus on large spans. Besides the empirical experiences of the author in masonry constructions, the finite element approach was proposed considering the current standards in order to get a better understanding of the validity of geometric rules proposed by al-Kashi for the equilibrium conditions of Islamic masonry arches and vaults. The state of damage of his reference arches under loading condition confirms beyond any doubt that his conclusion of the geometrical configuration measured through his treaties present some serious operational limits and do not go further than some individualized mathematical hypothesis. Therefore, the nature of his mathematical studies regarding Islamic arches is in complete contradiction with the practical knowledge of construction methodology.

Keywords: Jamshid al-Kashani, Islamic architecture, Islamic geometry, construction equilibrium, collapse mechanism

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1253 Development and Validation of a Coronary Heart Disease Risk Score in Indian Type 2 Diabetes Mellitus Patients

Authors: Faiz N. K. Yusufi, Aquil Ahmed, Jamal Ahmad

Abstract:

Diabetes in India is growing at an alarming rate and the complications caused by it need to be controlled. Coronary heart disease (CHD) is one of the complications that will be discussed for prediction in this study. India has the second most number of diabetes patients in the world. To the best of our knowledge, there is no CHD risk score for Indian type 2 diabetes patients. Any form of CHD has been taken as the event of interest. A sample of 750 was determined and randomly collected from the Rajiv Gandhi Centre for Diabetes and Endocrinology, J.N.M.C., A.M.U., Aligarh, India. Collected variables include patients data such as sex, age, height, weight, body mass index (BMI), blood sugar fasting (BSF), post prandial sugar (PP), glycosylated haemoglobin (HbA1c), diastolic blood pressure (DBP), systolic blood pressure (SBP), smoking, alcohol habits, total cholesterol (TC), triglycerides (TG), high density lipoprotein (HDL), low density lipoprotein (LDL), very low density lipoprotein (VLDL), physical activity, duration of diabetes, diet control, history of antihypertensive drug treatment, family history of diabetes, waist circumference, hip circumference, medications, central obesity and history of CHD. Predictive risk scores of CHD events are designed by cox proportional hazard regression. Model calibration and discrimination is assessed from Hosmer Lemeshow and area under receiver operating characteristic (ROC) curve. Overfitting and underfitting of the model is checked by applying regularization techniques and best method is selected between ridge, lasso and elastic net regression. Youden’s index is used to choose the optimal cut off point from the scores. Five year probability of CHD is predicted by both survival function and Markov chain two state model and the better technique is concluded. The risk scores for CHD developed can be calculated by doctors and patients for self-control of diabetes. Furthermore, the five-year probabilities can be implemented as well to forecast and maintain the condition of patients.

Keywords: coronary heart disease, cox proportional hazard regression, ROC curve, type 2 diabetes Mellitus

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1252 Evaluation of Fracture Resistance and Moisture Damage of Hot Mix Asphalt Using Plastic Coated Aggregates

Authors: Malleshappa Japagal, Srinivas Chitragar

Abstract:

The use of waste plastic in pavement is becoming important alternative worldwide for disposal of plastic as well as to improve the stability of pavement and to meet out environmental issues. However, there are still concerns on fatigue and fracture resistance of Hot Mix Asphalt with the addition of plastic waste, (HMA-Plastic mixes) and moisture damage potential. The present study was undertaken to evaluate fracture resistance of HMA-Plastic mixes using semi-circular bending (SCB) test and moisture damage potential by Indirect Tensile strength (ITS) test using retained tensile strength (TSR). In this study, a dense graded asphalt mix with 19 mm nominal maximum aggregate size was designed in the laboratory using Marshall Mix design method. Aggregates were coated with different percentages of waste plastic (0%, 2%, 3% and 4%) by weight of aggregate and performance evaluation of fracture resistance and Moisture damage was carried out. The following parameters were estimated for the mixes: J-Integral or Jc, strain energy at failure, peak load at failure, and deformation at failure. It was found that the strain energy and peak load of all the mixes decrease with an increase in notch depth, indicating that increased percentage of plastic waste gave better fracture resistance. The moisture damage potential was evaluated by Tensile strength ratio (TSR). The experimental results shown increased TRS value up to 3% addition of waste plastic in HMA mix which gives better performance hence the use of waste plastic in road construction is favorable.

Keywords: hot mix asphalt, semi circular bending, marshall mix design, tensile strength ratio

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1251 Alpha-To-Omega Phase Transition in Bulk Nanostructured Ti and (α+β) Ti Alloys

Authors: Askar Kilmametov, Julia Ivanisenko, Boris Straumal, Horst Hahn

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The high-pressure α- to ω-phase transition was discovered in elemental Ti and Zr fifty years ago using static high pressure and then observed to appear between 2 and 12 GPa at room temperature, depending on the experimental technique, the pressure environment, and the sample purity. The fact that ω-phase is retained in a metastable state in ambient condition after the removal of the pressure has been used to check the changes in magnetic and superconductive behavior, electron band structure and mechanical properties. However, the fundamental knowledge on a combination of both mechanical treatment and high applied pressure treatments for ω-phase formation in Ti alloys is currently lacking and has to be studied in relation to improved mechanical properties of bulk nanostructured states. In the present study, nanostructured (α+β) Ti alloys containing β-stabilizing elements such as Co, Fe, Cr, Nb were performed by severe plastic deformation, namely high pressure torsion (HPT) technique. HPT-induced α- to ω-phase transformation was revealed in dependence on applied pressure and shear strains by means of X-ray diffraction, transmission electron microscopy, and differential scanning calorimetry. The transformation kinetics was compared with the kinetics of pressure-induced transition. Orientation relationship between α-, β- and ω-phases was taken into consideration and analyzed according to theoretical calculation proposed earlier. The influence of initial state before HPT appeared to be considerable for subsequent α- to ω-phase transition. Thermal stability of the HPT-induced ω-phase was discussed as well in the frame of mechanical behavior of Ti and Ti-based alloys produced by shear deformation under high applied pressure.

Keywords: bulk nanostructured materials, high pressure phase transitions, severe plastic deformation, titanium alloys

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1250 A Techno-Economic Simulation Model to Reveal the Relevance of Construction Process Impact Factors for External Thermal Insulation Composite System (ETICS)

Authors: Virgo Sulakatko

Abstract:

The reduction of energy consumption of the built environment has been one of the topics tackled by European Commission during the last decade. Increased energy efficiency requirements have increased the renovation rate of apartment buildings covered with External Thermal Insulation Composite System (ETICS). Due to fast and optimized application process, a large extent of quality assurance is depending on the specific activities of artisans and are often not controlled. The on-site degradation factors (DF) have the technical influence to the façade and cause future costs to the owner. Besides the thermal conductivity, the building envelope needs to ensure the mechanical resistance and stability, fire-, noise-, corrosion and weather protection, and long-term durability. As the shortcomings of the construction phase become problematic after some years, the common value of the renovation is reduced. Previous work on the subject has identified and rated the relevance of DF to the technical requirements and developed a method to reveal the economic value of repair works. The future costs can be traded off to increased the quality assurance during the construction process. The proposed framework is describing the joint simulation of the technical importance and economic value of the on-site DFs of ETICS. The model is providing new knowledge to improve the resource allocation during the construction process by enabling to identify and diminish the most relevant degradation factors and increase economic value to the owner.

Keywords: ETICS, construction technology, construction management, life cycle costing

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1249 Simulation: A Tool for Stabilization of Welding Processes in Lean Production Concepts

Authors: Ola Jon Mork, Lars Andre Giske, Emil Bjørlykhaug

Abstract:

Stabilization of critical processes in order to have the right quality of the products, more efficient production and smoother flow is a key issue in lean production. This paper presents how simulation of key welding processes can stabilize complicated welding processes in small scale production, and how simulation can impact the entire production concept seen from the perspective of lean production. First, a field study was made to learn the production processes in the factory, and subsequently the field study was transformed into a value stream map to get insight into each operation, the quality issues, operation times, lead times and flow of materials. Valuable practical knowledge of how the welding operations were done by operators, appropriate tools and jigs, and type of robots that could be used, was collected. All available information was then implemented into a simulation environment for further elaboration and development. Three researchers, the management of the company and skilled operators at the work floor where working on the project over a period of eight months, and a detailed description of the process was made by the researchers. The simulation showed that simulation could solve a number of technical challenges, the robot program can be tuned in off line mode, and the design and testing of the robot cell could be made in the simulator. Further on the design of the product could be optimized for robot welding and the jigs could be designed and tested in simulation environment. This means that a key issue of lean production can be solved; the welding operation will work with almost 100% performance when it is put into real production. Stabilizing of one key process is critical to gain control of the entire value chain, then a Takt Time can be established and the focus can be directed towards the next process in the production which should be stabilized. Results show that industrial parameters like welding time, welding cost and welding quality can be defined on the simulation stage. Further on, this gives valuable information for calculation of the factories business performance, like manufacturing volume and manufacturing efficiency. Industrial impact from simulation is more efficient implementation of lean manufacturing, since the welding process can be stabilized. More research should be done to gain more knowledge about simulation as a tool for implementation of lean, especially where there complex processes.

Keywords: simulation, lean, stabilization, welding process

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1248 Multilingualism as an Impetus to Nigerian Religious and Political Crises: the Way Forward

Authors: Kehinde, Taye Adetutu

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The fact that Nigeria as a nation is faced by myriads of problems associated with religious crises and political insecurity is no news, the spoken statement and actions of most political giant were the major cause of this unrest. The 'unlearnt' youth within the regions has encompassed the situation. This scenario is further compounded by multilingual nature of the country as it is estimated that there exists amount 400 indigenous languages in Nigeria. It is an indisputable fact that english language which has assumed the status of an official language in Nigeria, given its status has a language of power and captivity by a few with no privilege to attend school. However, educating people in their indigenous language; crises can be averted through the proper orientation and mass literacy campaign, especially for the timid illiterate one, so as to live in unity, peace, tranquillity, and harmony as indivisible nation. In investigating the problem in this study with an emphasis on three major Nigerian language (Yoruba, Igbo and Hausa), participants observations and survey questionnaire were administered to about one hundred and twenty (120) respondents who were randomly selected throughout the three major ethnic groups in Nigeria. Findings from this study reveals that teaching and learning of cognitive words and information are more effective in ones mother tongue and helps in stimulating new ideas and changes. This paper was able to explore and critically examine the current state of affairs in Nigeria and proffer possible solutions to the prevailing situations by identifying how indigenous languages and linguistics can be used to ameliorate the present political and religious crisis for Nigeria, thus providing a proper recommendation to achieve meaningful stability and coexistence within a nation.

Keywords: multilingualism, political crisis, religious, Nigeria

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1247 A Study on Fundamental Problems for Small and Medium Agricultural Machinery Industries in Central Region Area

Authors: P. Thepnarintra, S. Nikorn

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Agricultural machinery industry plays an important role in the industrial development especially the production industry of the country. There has been continuing development responding to the higher demand of the production. However, the problem in agricultural machinery production still exists. Thus, the purpose of this research is to investigate problems on fundamental factors of industry based on the entrepreneurs’ point of view. The focus was on the small and medium size industry receiving a factory license typed number 0660 from the Department of Industrial Works. The investigation was on the comparison between the management of the small and medium size agricultural industry in 3 provinces in the central region of Thailand. Population in this study consisted of 189 company managers or managing directors, of which 101 were from the small size and 88 were from the medium size industry. The data were analyzed to find percentage, arithmetic mean, and standard deviation with independent sample T-test at the statistical significance .05. The results showed that the small and medium size agricultural machinery manufacturers in the central region of Thailand reported high problems in every aspect. When compared the problems on basic factors in running the business, it was found that there was no difference statistically at .05 in managing of the small and medium size agricultural machinery manufacturers. However, there was a statistically significant difference between the small and medium size agricultural machinery manufacturers on the aspect of policy and services of the government. The problems reported by the small and medium size agricultural machinery manufacturers were the services on public tap water and the problem on politic and stability of the country.

Keywords: agricultural machinery, manufacturers, problems, on running the business

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1246 A Participatory Study in Using Augmented Reality for Teaching Civics in Middle Schools

Authors: E. Sahar

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Civic political knowledge is crucial for the stability of democratic countries. In the USA, Americans have poor knowledge about their constitution and their political systems. Some states such as Florida State suffers from a huge decline in civics comparing to the National Average. This study concerns with using new technologies such as augmented reality to engage students in learning civics in classrooms. This is a participatory study, which engage teachers in the process of designing augmented reality civic games. The researcher used survey to find out the materials that teachers struggle with while teaching civics. Four lessons were found the most difficult to teach for middle school students: SS7C1.1 Enlightenment thinkers, SS7C1.2 influencing documents, SS7C1.7-Weakness of the Articles of Confederation, and Forms and systems of governments. For the limited scope of this study, we focused on “Forms and Systems of governments’ as the main project. Augmented Reality is used to help students to engage in learning civics through building a game that is based on the pedagogy constructivism theory. The resulted project meets the educational requirements for civics, provide students with more knowledge in at stake issues such as migration and citizenship, and help them to build leadership skills while playing in groups. The augmented reality game is also designed to test the students learning for each stage. This study helps to generate insightful implications for the use of augmented reality by educators, researchers, instructional designers, and developers who are interested in integrating technology in teaching civics for students in middle school classrooms.

Keywords: augmented reality, games, civics teaching, Florida middle school

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1245 A Comparative Study of Single- and Multi-Walled Carbon Nanotube Incorporation to Indium Tin Oxide Electrodes for Solar Cells

Authors: G. Gokceli, O. Eksik, E. Ozkan Zayim, N. Karatepe

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Alternative electrode materials for optoelectronic devices have been widely investigated in recent years. Since indium tin oxide (ITO) is the most preferred transparent conductive electrode, producing ITO films by simple and cost-effective solution-based techniques with enhanced optical and electrical properties has great importance. In this study, single- and multi-walled carbon nanotubes (SWCNT and MWCNT) incorporated into the ITO structure to increase electrical conductivity, mechanical strength, and chemical stability. Carbon nanotubes (CNTs) were firstly functionalized by acid treatment (HNO3:H2SO4), and the thermal resistance of CNTs after functionalization was determined by thermogravimetric analysis (TGA). Thin films were then prepared by spin coating technique and characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD), four-point probe measurement system and UV-Vis spectrophotometer. The effects of process parameters were compared for ITO, MWCNT-ITO, and SWCNT-ITO films. Two factors including CNT concentration and annealing temperature were considered. The UV-Vis measurements demonstrated that the transmittance of ITO films was 83.58% at 550 nm, which was decreased depending on the concentration of CNT dopant. On the other hand, both CNT dopants provided an enhancement in the crystalline structure and electrical conductivity. Due to compatible diameter and better dispersibility of SWCNTs in the ITO solution, the best result in terms of electrical conductivity was obtained by SWCNT-ITO films with the 0.1 g/L SWCNT dopant concentration and heat-treatment at 550 °C for 1 hour.

Keywords: CNT incorporation, ITO electrode, spin coating, thin film

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1244 Iron Response Element-mRNA Binding to Iron Response Protein: Metal Ion Sensing

Authors: Mateen A. Khan, Elizabeth J. Theil, Dixie J. Goss

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Cellular iron homeostasis is accomplished by the coordinated regulated expression of iron uptake, storage, and export. Iron regulate the translation of ferritin and mitochondrial aconitase iron responsive element (IRE)-mRNA by interaction with an iron regulatory protein (IRPs). Iron increases protein biosynthesis encoded in iron responsive element. The noncoding structure IRE-mRNA, approximately 30-nt, folds into a stem loop to control synthesis of proteins in iron trafficking, cell cycling, and nervous system function. Fluorescence anisotropy measurements showed the presence of one binding site on IRP1 for ferritin and mitochondrial aconitase IRE-mRNA. Scatchard analysis revealed the binding affinity (Kₐ) and average binding sites (n) for ferritin and mitochondrial aconitase IRE-mRNA were 68.7 x 10⁶ M⁻¹ and 9.2 x 10⁶ M⁻¹, respectively. In order to understand the relative importance of equilibrium and stability, we further report the contribution of electrostatic interactions in the overall binding of two IRE-mRNA with IRP1. The fluorescence quenching of IRP1 protein was measured at different ionic strengths. The binding affinity of IRE-mRNA to IRP1 decreases with increasing ionic strength, but the number of binding sites was independent of ionic strength. Such results indicate a differential contribution of electrostatics to the interaction of IRE-mRNA with IRP1, possibly related to helix bending or stem interactions and an overall conformational change. Selective destabilization of ferritin and mitochondrial aconitase RNA/protein complexes as reported here explain in part the quantitative differences in signal response to iron in vivo and indicate possible new regulatory interactions.

Keywords: IRE-mRNA, IRP1, binding, ionic strength

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1243 Association of 105A/C IL-18 Gene Single Nucleotide Polymorphism with House Dust Mite Allergy in an Atopic Filipino Population

Authors: Eisha Vienna M. Fernandez, Cristan Q. Cabanilla, Hiyasmin Lim, John Donnie A. Ramos

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Allergy is a multifactorial disease affecting a significant proportion of the population. It is developed through the interaction of allergens and the presence of certain polymorphisms in various susceptibility genes. In this study, the correlation of the 105A/C single nucleotide polymorphism (SNP) of the IL-18 gene and house dust mite-specific IgE among Filipino allergic and non-allergic population was investigated. Atopic status was defined by serum total IgE concentration of ≥100 IU/mL, while house dust mite allergy was defined by specific IgE value ≥ +1SD of IgE of nonatopic participants. Two hundred twenty match-paired Filipino cases and controls aged 6-60 were the subjects of this investigation. The level of total IgE and Specific IgE were measured using Enzyme-Linked Immunosorbent Assay (ELISA) while Polymerase Chain Reaction – Restriction Fragment Length Polymorphism (PCR-RFLP) analysis was used in the SNP detection. Sensitization profiles of the allergic patients revealed that 97.3% were sensitized to Blomia tropicalis, 40.0% to Dermatophagoides farinae, and 29.1% to Dermatophagoides pteronyssinus. Multiple sensitization to HDMs was also observed among the 47.27% of the atopic participants. Any of the allergy classes of the atopic triad were exhibited by the cases (allergic asthma: 48.18%; allergic rhinitis: 62.73%; atopic dermatitis: 19.09%), and two or all of these atopic states are concurrently occurring in 26.36% of the cases. A greater proportion of the atopic participants with allergic asthma and allergic rhinitis were sensitized to D. farinae, and D. pteronyssinus, while more of those with atopic dermatitis were sensitized to D. pteronyssinus than D. farinae. Results show that there is overrepresentation of the allele “A” of the 105A/C IL-18 gene SNP in both cases and control groups of the population. The genotype that predominate the population is the heterozygous “AC”, followed by the homozygous wild “AA”, and the homozygous variant “CC” being the least. The study confirmed a positive association between serum specific IgE against B. tropicalis and D. pteronyssinus and the allele “C” (Bt P=0.021, Dp P=0.027) and “AC” (Bt P=0.003, Dp P=0.026) genotype. Findings also revealed that the genotypes “AA” (OR:1.217; 95% CI: 0.701-2.113) and “CC” (OR, 3.5; 95% CI: 0.727-16.849) increase the risk of developing allergy. This indicates that the 105A/C IL-18 gene SNP is a candidate genetic marker for HDM allergy among Filipino patients.

Keywords: house dust mite allergy, interleukin-18 (IL-18), single nucleotide polymorphism,

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1242 Cryptolepis sanguinolenta - A Medicinal Plant Used in the Treatment of Malaria, Cultivate It or Lose It

Authors: J. Naalamle Amissah, Dorcas Osei‐Safo, C. M. Asare, Benjamin Missah‐Assihene, Eric. Y. Danquah, Ivan Addae‐Mensah

Abstract:

Medicinal plants serve as a reservoir of active ingredients for the treatment of common ailments such as cancer, malaria and diabetes. With the recent wave of health consciousness and reliance on plant based medicines, the demand for medicinal plants has increased considerably. This surge in medicinal plant use has raised great concern amongst key players (herbalist, collectors, conservationist and researchers) along the value chain about the sustainability of the raw material. The over reliance on wild crafting as a means to obtain the raw material spells doom for several of Africa’s native medicinal plant species. In this study domestication protocols for the cultivation of Cryptolepis sanguinolenta (CS), a medicinal plant used in the treatment of malaria were developed. Initial surveys were conducted, using questionnaires comprising of open and close ended questions, to gather information that would inform the domestication and cultivation of the species. A field study was then conducted to determine the plant’s cropping cycle and the effect of staking and plant age on the active ingredient (cryptolepine) concentration in its roots. Results of the survey confirmed the demand for the raw material and threw more light on the harvesting methods and intensity of CS collection from the wild. Cryptolepine concentration was found to be highest (~1.84 mg/100 mg of root material) at 289 days after planting (DAP) which coincided with the peak of root dry weight (52.8 g), signifying the best time for root harvest. Staking was found to be important for seed production. The first 105 DAP were characterized by low yields of root dry weight (13.5 g), followed by a period of rapid growth in which the root dry weight increased almost linearly until 289 DAP. Although dry matter partitioned to the vines increased towards the end of the experimental period (60%), dry matter partitioned to the roots remained fairly constant (30%) throughout the experimental period. Cryptolepine was found to increase as the plant aged and the practice of staking CS promoted pod formation. A suitable cropping cycle for the cultivation of CS was also developed.

Keywords: domestication, staking, conservation, wild harvesting

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1241 Application of Aquatic Plants for the Remediation of Organochlorine Pesticides from Keenjhar Lake

Authors: Soomal Hamza, Uzma Imran

Abstract:

Organochlorine pesticides bio-accumulate into the fat of fish, birds, and animals through which it enters the human food cycle. Due to their persistence and stability in the environment, many health impacts are associated with them, most of which are carcinogenic in nature. In this study, the level of organochlorine pesticides has been detected in Keenjhar Lake and remediated using Rhizoremediation technique. 14 OC pesticides namely, Aldrin, Deldrin, Heptachlor, Heptachlor epoxide, Endrin, Endosulfun I and II, DDT, DDE, DDD, Alpha, Beta, Gamma BHC and two plants namely, Water Hyacinth and Slvinia Molesta were used in the system using pot experiment which processed for 11 days. A consortium was inoculated in both plants to increase its efficiency. Water samples were processed using liquide-liquid extraction. Sediments and roots samples were processed using Soxhlet method followed by clean-up and Gas Chromatography. Delta-BHC was the predominantly found in all samples with mean concentration (ppb) and standard deviation of 0.02 ± 0.14, 0.52 ± 0.68, 0.61 ± 0.06, in Water, Sediments and Roots samples respectively. The highest levels were of Endosulfan II in the samples of water, sediments and roots. Water Hyacinth proved to be better bioaccumulaor as compared to Silvinia Molesta. The pattern of compounds reduction rate by the end of experiment was Delta-BHC>DDD > Alpha-BHC > DDT> Heptachlor> H.Epoxide> Deldrin> Aldrin> Endrin> DDE> Endosulfun I > Endosulfun II. Not much significant difference was observed between the pots with the consortium and pots without the consortium addition. Phytoremediation is a promising technique, but more studies are required to assess the bioremediation potential of different aquatic plants and plant-endophyte relationship.

Keywords: aquatic plant, bio remediation, gas chromatography, liquid liquid extraction

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1240 Chitosan Hydrogel Containing Nitric Oxide Donors with Potent Antibacterial Effect

Authors: Milena Trevisan Pelegrino, Bruna De Araujo Lima, Mônica H. M. Do Nascimento, Christiane B. Lombello, Marcelo Brocchi, Amedea B. Seabra

Abstract:

Nitric oxide (NO) is a small molecule involved in a wide range of physiological and pathophysiological processes, including vasodilatation, control of inflammatory pain, wound healing, and antibacterial activities. As NO is a free radical, the design of drugs that generates therapeutic amounts of NO in controlled spatial and time manners is still a challenge. In this study, the NO donor S-nitrosoglutathione (GSNO) was incorporated into the thermoresponsive Pluronic F-127 (PL) - chitosan (CS) hydrogel, in an easy and economically feasible methodology. CS is a polysaccharide with known antimicrobial and biocompatibility properties. Scanning electron microscopy, rheology and differential scanning calorimetry techniques were used for hydrogel characterization. The results demonstrated that the hydrogel has a smooth surface, thermoresponsive behavior, and good mechanical stability. The kinetics of NO release and GSNO diffusion from GSNO-containing PL/CS hydrogel demonstrated a sustained NO/GSNO release, in concentrations suitable for biomedical applications, at physiological and skin temperatures. The GSNO-PL/CS hydrogel demonstrated a concentration-dependent toxicity to Vero cells, and antimicrobial activity to Pseudomonas aeruginosa (minimum inhibitory concentration and minimum bactericidal concentration values of 0.5 µg·mL-1 of hydrogel, which correspondents to 1 mmol·L-1 of GSNO). Interesting, the concentration range in which the NO-releasing hydrogel demonstrated antibacterial effect was not found toxic to Vero mammalian cell. Thus, GSNO-PL/CS hydrogel is suitable biomaterial for topical NO delivery applications.

Keywords: antimicrobial, chitosan, biocompatibility, S-nitrosothiols

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1239 Investigating the Effectiveness of a 3D Printed Composite Mold

Authors: Peng Hao Wang, Garam Kim, Ronald Sterkenburg

Abstract:

In composite manufacturing, the fabrication of tooling and tooling maintenance contributes to a large portion of the total cost. However, as the applications of composite materials continue to increase, there is also a growing demand for more tooling. The demand for more tooling places heavy emphasis on the industry’s ability to fabricate high quality tools while maintaining the tool’s cost effectiveness. One of the popular techniques of tool fabrication currently being developed utilizes additive manufacturing technology known as 3D printing. The popularity of 3D printing is due to 3D printing’s ability to maintain low material waste, low cost, and quick fabrication time. In this study, a team of Purdue University School of Aviation and Transportation Technology (SATT) faculty and students investigated the effectiveness of a 3D printed composite mold. A steel valve cover from an aircraft reciprocating engine was modeled utilizing 3D scanning and computer-aided design (CAD) to create a 3D printed composite mold. The mold was used to fabricate carbon fiber versions of the aircraft reciprocating engine valve cover. The carbon fiber valve covers were evaluated for dimensional accuracy and quality while the 3D printed composite mold was evaluated for durability and dimensional stability. The data collected from this study provided valuable information in the understanding of 3D printed composite molds, potential improvements for the molds, and considerations for future tooling design.

Keywords: additive manufacturing, carbon fiber, composite tooling, molds

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1238 Rapid Green Synthesis of Silver Nanoparticles Using Solanum Nigrum Leaves Extract with Antimicrobial and Anticancer Properties

Authors: Anushaa A.

Abstract:

In this work, silver nanoparticles (AgNP) were manufactured directly without harmful chemicals utilising methanol extract (SNLME) Solanum nigrume leaves. We are using nigrum leaf extract from Solanum, which converts silver nitrate to silver ions, for synthesization purposes. An examination of the AgNP produced was performed using ultraviolet (UV-VIS) spectroscopy, infrared spectroscopy (FTIR) transformed from Fourier and scanning electrons (SEM). Biological activity was also tested. UV-VIS has proven that biosynthesized AgNP exists (420-450 nm). The FTIR spectrum has been utilised to confirm the presence of different functional groups within the biomolecules, which are a nanoparticular capping agent and the spectroscopic and crystal nature of AgNP. The viability of the silver nanoparticles was evaluated using zeta potential calculations. Negative zeta potential of -33.4 mV demonstrated the stability of silver-nanoparticles. The morphology of AgNP was examined using a scanning electron microscope. Greenly generated AgNP showed significant anti-Staphylococcus aureus, Candida, and Escherichia coli action. The green AgNP demonstration indicated that the IC50 for the human teratocarcinoma cell line was 29.24 μg/ml during 24 hours of therapy (PA1 Ovarian cell line). The dose-dependent effects were reported in both antibacterial and cytotoxicity assays and as an effective agent. Finally, the findings of this research showed that silver nanoparticles generated might serve as a viable therapeutic agent to combat microorganisms killing and curing cancer.

Keywords: antimicrobial activity, PA1 ovarian cancer cell line, silver nanoparticles, Solanum nigrum

Procedia PDF Downloads 171
1237 Rayleigh-Bénard-Taylor Convection of Newtonian Nanoliquid

Authors: P. G. Siddheshwar, T. N. Sakshath

Abstract:

In the paper we make linear and non-linear stability analyses of Rayleigh-Bénard convection of a Newtonian nanoliquid in a rotating medium (called as Rayleigh-Bénard-Taylor convection). Rigid-rigid isothermal boundaries are considered for investigation. Khanafer-Vafai-Lightstone single phase model is used for studying instabilities in nanoliquids. Various thermophysical properties of nanoliquid are obtained using phenomenological laws and mixture theory. The eigen boundary value problem is solved for the Rayleigh number using an analytical method by considering trigonometric eigen functions. We observe that the critical nanoliquid Rayleigh number is less than that of the base liquid. Thus the onset of convection is advanced due to the addition of nanoparticles. So, increase in volume fraction leads to advanced onset and thereby increase in heat transport. The amplitudes of convective modes required for estimating the heat transport are determined analytically. The tri-modal standard Lorenz model is derived for the steady state assuming small scale convective motions. The effect of rotation on the onset of convection and on heat transport is investigated and depicted graphically. It is observed that the onset of convection is delayed due to rotation and hence leads to decrease in heat transport. Hence, rotation has a stabilizing effect on the system. This is due to the fact that the energy of the system is used to create the component V. We observe that the amount of heat transport is less in the case of rigid-rigid isothermal boundaries compared to free-free isothermal boundaries.

Keywords: nanoliquid, rigid-rigid, rotation, single phase

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1236 Border Control and Human Rights Violations: Lessons Learned from the United States and Potential Solutions for the European Union

Authors: María Elena Menéndez Ibáñez

Abstract:

After the terrorist attacks of 9/11, new measures were adopted by powerful countries and regions like the United States and the European Union in order to safeguard their security. In 2002, the US created the Department of Homeland Security with one sole objective; to protect American soil and people. The US adopted new policies that made every immigrant a potential terrorist and a threat to their national security. Stronger border control became one of the key elements of the fight against organized crime and terrorism. The main objective of this paper is to compare some of the most important and radical measures adopted by the US, even those that resulted in systematic violations of human rights, with some of the European measures adopted after the 2015 Paris attacks of 2015, such as unlawful detainment of prisoners and other measures against foreigners. Through the Schengen agreement, the European Union has tried to eliminate tariffs and border controls, in order to guarantee successful economic growth. Terrorists have taken advantage of this and have made the region vulnerable to attacks. Authorities need to strengthen their surveillance methods in order to safeguard the region and its stability. Through qualitative methods applied to social sciences, this research will also try to explain why some of the mechanisms proven to be useful in the US would not be so in Europe, especially because they would result in human rights violations. Finally, solutions will be offered that would not put the whole Schengen Agreement at risk. Europe cannot reinstate border control, without making individuals vulnerable to human rights violations.

Keywords: border control, immigration, international cooperation, national security

Procedia PDF Downloads 121
1235 Physical Tests on Localized Fluidization in Offshore Suction Bucket Foundations

Authors: Li-Hua Luu, Alexis Doghmane, Abbas Farhat, Mohammad Sanayei, Pierre Philippe, Pablo Cuellar

Abstract:

Suction buckets are promising innovative foundations for offshore wind turbines. They generally feature the shape of an inverted bucket and rely on a suction system as a driving agent for their installation into the seabed. Water is pumped out of the buckets that are initially placed to rest on the seabed, creating a net pressure difference across the lid that generates a seepage flow, lowers the soil resistance below the foundation skirt, and drives them effectively into the seabed. The stability of the suction mechanism as well as the possibility of a piping failure (i.e., localized fluidization within the internal soil plug) during their installation are some of the key questions that remain open. The present work deals with an experimental study of localized fluidization by suction within a fixed bucket partially embedded into a submerged artificial soil made of spherical beads. The transient process, from the onset of granular motion until reaching a stationary regime for the fluidization at the embedded bucket wall, is recorded using the combined optical techniques of planar laser-induced fluorescence and refractive index matching. To conduct a systematic study of the piping threshold for the seepage flow, we vary the beads size, the suction pressure, and the initial depth for the bucket. This experimental modelling, by dealing with erosion-related phenomena from a micromechanical perspective, shall provide qualitative scenarios for the local processes at work which are missing in the offshore practice so far.

Keywords: fluidization, micromechanical approach, offshore foundations, suction bucket

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1234 Closed Urban Block versus Open Housing Estates Structures: Sustainability Surveys in Brno, Czech Republic

Authors: M. Wittmann, G. Kopacik, A. Leitmannova

Abstract:

A prominent place in the spatial arrangement of Czech as well as other post-socialist, Central European cities belongs to 19th century closed urban blocks and the open concrete panel housing estates which were erected during the socialism era in the second half of 20th century. The characteristics of these two fundamentally diverse types of residential structures have, as we suppose, a different impact on the sustainable development of the urban area. The characteristics of these residential structures may influence the ecological stability of the area, its hygienic qualities, the intensity and way of using by various social groups, and also, e.g., the prices of real estates. These and many other phenomena indicate the environmental, social and economic sustainability of the urban area. The proposed research methodology assessed specific indicators of sustainability within a range from 0 to 10 points. 5 points correspond to the general standard in the area, 0 points indicates degradation, and 10 points indicate the highest contribution to sustainable development. The survey results are reflected in the overall sustainability index and in the residents’ satisfaction index. The paper analyses the residential structures in the Central European city of Brno, Czech Republic. The case studies of the urban blocks near the city centre and of the housing estate Brno - Vinohrady are compared. The results imply that a considerable positive impact on the sustainable development of the area should be ascribed to the closed urban blocks near the city centre.

Keywords: City of Brno, closed urban block, open housing estate, urban structure

Procedia PDF Downloads 164
1233 Vibration Damping Properties of Electrorheological Materials Based on Chitosan/Perlite Composite

Authors: M. Cabuk, M. Yavuz, T. A. Yesil, H. I. Unal

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Electrorheological (ER) fluids are a class of smart materials exhibiting reversible changes in their rheological and mechanical properties under an applied electric field (E). ER fluids generally are composed of polarisable solid particles dispersed in non-conducting oil. ER fluids are fluids which exhibit. The resistance to motion of the ER fluid can be controlled by adjusting the applied E, due to their fast and reversible changes in their rheological properties presence of E. In this study, a series of chitosan/expanded perlite (CS/EP) composites with different chitosan mass fractions (10%, 20%, and 50%) was used. Characterizations of the composites were carried out by Fourier Transform Infrared (FTIR), X-ray diffraction (XRD) and Scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDX) techniques. Antisedimentation stability and dielectric properties of the composites were also determined. The effects of volume fraction, electric field strength, shear rate, shear stress, and temperature onto ER properties of the CS/EP composite particles dispersed in silicone oil (SO) were investigated in detail. Vibration damping behavior of the CS/EP composites were determined as a function of frequence, storage (Gʹ) and loss (Gʹ ʹ) moduli. It was observed that ER response of the CS/EP/SO ER fluids increased with increasing electric field strength and exhibited the typical shear thinning non-Newtonian viscoelastic behaviors with increasing shear rate. The maximum yield stress was obtained with 1250 Pa under E = 3 kV/mm. Further, the CS/EP/SO ER fluids were observed to sensitive to vibration control by showing reversible viscosity enhancements (Gʹ > Gʹ ʹ). Acknowledgements: The authors thank the TÜBİTAK (214Z199) for the financial support of this work.

Keywords: chitosan, electrorheology, perlite, vibration control

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1232 The Effect of Gender Differences on Mate Selection in Private University

Authors: Hui Min Kong, Rajalakshmi A/P Ganesan

Abstract:

The present study was conducted to investigate the effect of gender differences in mate selection in a private university. Mate selection is an important process and decision to the people around the world, especially for single people. The future partner we have chosen could be our lifetime friend, supporter, and lover. Mate selection is important to us, but we have never fully understood the evolution of gender differences in mate selection. Besides, there was an insufficient empirical finding of gender differences in mate selection in Malaysia. Hence, the research would allow us to understand our feelings and thoughts about our future partners. The research null hypotheses have stated that there was no significant difference on 18 mate selections characteristics between males and females. A quantitative method was performed to test the hypotheses through independent t-test. There was a total of 373 heterosexual participants with the age range of 18 to 35 in the study. The instrument used was Factors in choosing a mate developed by Buss and Barnes (1986). Results indicated that females (M= 26.69) were found to be highly valued on refinement and neatness, good financial prospect, dependable character, emotional stability and maturity, desire for home and children, favorable social status or rating, similar religious background, ambition and industriousness, mutual attraction, good health and education and intelligence than males (M= 23.25). These results demonstrated that there were 61.11% significant gender differences in mate selections characteristics. Findings of this research have highlighted the importance of human mate selections in Malaysia. Further research is needed to identify the factors that could have a possible moderating effect of gender differences in mate selection.

Keywords: gender differences, mate selections, evolution, future partner

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1231 Convertible Lease, Risky Debt and Financial Structure with Growth Option

Authors: Ons Triki, Fathi Abid

Abstract:

The basic objective of this paper is twofold. It resides in designing a model for a contingent convertible lease contract that can ensure the financial stability of a company and recover the losses of the parties to the lease in the event of default. It also aims to compare the convertible lease contract on inefficiencies resulting from the debt-overhang problem and asset substitution with other financing policies. From this perspective, this paper highlights the interaction between investments and financing policies in a dynamic model with existing assets and a growth option where the investment cost is financed by a contingent convertible lease and equity. We explore the impact of the contingent convertible lease on the capital structure. We also check the reliability and effectiveness of the use of the convertible lease contract as a means of financing. Findings show that the rental convertible contract with a sufficiently high conversion ratio has less severe inefficiencies arising from risk-shifting and debt overhang than those entailed by risky debt and pure-equity financing. The problem of underinvestment pointed out by Mauer and Ott (2000) and the problem of overinvestment mentioned by Hackbarth and Mauer (2012) may be reduced under contingent convertible lease financing. Our findings predict that the firm value under contingent convertible lease financing increases globally with asset volatility instead of decreasing with business risk. The study reveals that convertible leasing contracts can stand for a reliable solution to ensure the lessee and quickly recover the counterparties of the lease upon default.

Keywords: contingent convertible lease, growth option, debt overhang, risk-shifting, capital structure

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1230 Normal Coordinate Analysis, Molecular Structure, Vibrational, Electronic Spectra, and NMR Investigation of 4-Amino-3-Phenyl-1H-1,2,4-Triazole-5(4H)-Thione by Ab Initio HF and DFT Method

Authors: Khaled Bahgat

Abstract:

In the present work, the characterization of 4-Amino-3-phenyl-1H-1,2,4-triazole-5(4H)-thione (APTT) molecule was carried out by quantum chemical method and vibrational spectral techniques. The FT-IR (4000–400 cm_1) and FT-Raman (4000–100 cm_1) spectra of APTT were recorded in solid phase. The UV–Vis absorption spectrum of the APTT was recorded in the range of 200–400 nm. The molecular geometry, harmonic vibrational frequencies and bonding features of APTT in the ground state have been calculated by HF and DFT methods using 6-311++G(d,p) basis set. The complete vibrational frequency assignments were made by normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology (SQMF). The molecular stability and bond strength were investigated by applying the natural bond orbital analysis (NBO) and natural localized molecular orbital (NLMO) analysis. The electronic properties, such as excitation energies, absorption wavelength, HOMO and LUMO energies were performed by time depended DFT (TD-DFT) approach. The 1H and 13C nuclear magnetic resonance chemical shift of the molecule were calculated using the gauge-including atomic orbital (GIAO) method and compared with experimental results. Finally, the calculation results were analyzed to simulate infrared, FT-Raman and UV spectra of the title compound which shows better agreement with observed spectra.

Keywords: 4-amino-3-phenyl-1H-1, 2, 4-triazole-5(4H)-thione, vibrational assignments, normal coordinate analysis, quantum mechanical calculations

Procedia PDF Downloads 457