Search results for: Critical temperature

Authors: H.R. Balouchi

Abstract:

To evaluate genetic variation of wheat (Triticum aestivum) affected by heat and drought stress on eight Australian wheat genotypes that are parents of Doubled Haploid (HD) mapping populations at the vegetative stage, the water stress experiment was conducted at 65% field capacity in growth room. Heat stress experiment was conducted in the research field under irrigation over summer. Result show that water stress decreased dry shoot weight and RWC but increased osmolarity and means of Fv/Fm values in all varieties except for Krichauff. Krichauff and Kukri had the maximum RWC under drought stress. Trident variety was shown maximum WUE, osmolarity (610 mM/Kg), dry mater, quantum yield and Fv/Fm 0.815 under water stress condition. However, the recovery of quantum yield was apparent between 4 to 7 days after stress in all varieties. Nevertheless, increase in water stress after that lead to strong decrease in quantum yield. There was a genetic variation for leaf pigments content among varieties under heat stress. Heat stress decreased significantly the total chlorophyll content that measured by SPAD. Krichauff had maximum value of Anthocyanin content (2.978 A/g FW), chlorophyll a+b (2.001 mg/g FW) and chlorophyll a (1.502 mg/g FW). Maximum value of chlorophyll b (0.515 mg/g FW) and Carotenoids (0.234 mg/g FW) content belonged to Kukri. The quantum yield of all varieties decreased significantly, when the weather temperature increased from 28 ÔùªC to 36 ÔùªC during the 6 days. However, the recovery of quantum yield was apparent after 8th day in all varieties. The maximum decrease and recovery in quantum yield was observed in Krichauff. Drought and heat tolerant and moderately tolerant wheat genotypes were included Trident, Krichauff, Kukri and RAC875. Molineux, Berkut and Excalibur were clustered into most sensitive and moderately sensitive genotypes. Finally, the results show that there was a significantly genetic variation among the eight varieties that were studied under heat and water stress.

Keywords: Abiotic stress, Genetic variation, Fluorescence, Wheat genotypes.

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Authors: Deepak K. Semwal, Ruchi B. Semwal, Aijaz Ahmad, Guy P. Kamatou, Alvaro M. Viljoen

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Kigelia africana (Lam.) Benth. (Bignoniaceae) is a reputed traditional remedy for various human ailments such as skin diseases, microbial infections, melanoma, stomach troubles, metabolic disorders, malaria and general pains. In spite of the fruit being widely used for purposes related to its antibacterial and antifungal properties, the chemical constituents associated with the activity have not been fully identified. To elucidate the active principles, we evaluated the antimicrobial activity of fruit extracts and purified fractions against Staphylococcus aureus, Enterococcus faecalis, Moraxella catarrhalis, Escherichia coli, Candida albicans and Candida tropicalis. Shade-dried fruits were powdered and extracted with hydroalcoholic (1:1) mixture by soaking at room temperature for 72 h. The crude extract was further fractionated by column chromatography, with successive elution using hexane, dichloromethane, ethyl acetate, acetone and methanol. The dichloromethane and ethyl acetate fractions were combined and subjected to column chromatography to furnish a wax and oil from the eluates of 20% and 40% ethyl acetate in hexane, respectively. The GC-MS and GC×GC-MS results revealed that linoleic acid, linolenic acid, palmitic acid, arachidic acid and stearic acid were the major constituents in both oil and wax. The crude hydroalcoholic extract exhibited the strongest activity with MICs of 0.125-0.5 mg/mL, followed by the ethyl acetate (MICs = 0.125-1.0 mg/mL), dichloromethane (MICs = 0.250-2.0 mg/mL), hexane (MICs = 0.25- 2.0 mg/mL), acetone (MICs = 0.5-2.0 mg/mL) and methanol (MICs = 1.0-2.0 mg/mL), whereas the wax (MICs = 2.0-4.0 mg/mL) and oil (MICs = 4.0-8.0 mg/mL) showed poor activity. The study concludes that synergistic interactions of chemical constituents could be responsible for the antimicrobial activity of K. africana fruits, which needs a more holistic approach to understand the mechanism of its antimicrobial activity.

Keywords: Kigelia Africana, traditional medicine, antimicrobial activity, Candida albicans, palmitic acid, synergistic interaction.

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Authors: Denise Levy, Anna Lucia C. H. Villavicencio

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In a rapid-changing world, science teachers face considerable challenges. In addition to the basic curriculum, there must be included several transversal themes, which demand creative and innovative strategies to be arranged and integrated to traditional disciplines. In Brazil, nuclear science is still a controversial theme, and teachers themselves seem to be unaware of the issue, most often perpetuating prejudice, errors and misconceptions. This article presents the authors’ experience in the development of an interdisciplinary pedagogical proposal to include nuclear science in the basic curriculum, in a transversal and integrating way. The methodology applied was based on the analysis of several normative documents that define the requirements of essential learning, competences and skills of basic education for all schools in Brazil. The didactic materials and resources were developed according to the best practices to improve learning processes privileging constructivist educational techniques, with emphasis on active learning process, collaborative learning and learning through research. The material consists of an illustrated book for students, a book for teachers and a manual with activities that can articulate nuclear science to different disciplines: Portuguese, mathematics, science, art, English, history and geography. The content counts on high scientific rigor and articulate nuclear technology with topics of interest to society in the most diverse spheres, such as food supply, public health, food safety and foreign trade. Moreover, this pedagogical proposal takes advantage of the potential value of digital technologies, implementing QR codes that excite and challenge students of all ages, improving interaction and engagement. The expected results include the education of the educators for nuclear science communication in a transversal and integrating way, demystifying nuclear technology in a contextualized and significant approach. It is expected that the interdisciplinary pedagogical proposal contributes to improving attitudes towards knowledge construction, privileging reconstructive questioning, fostering a culture of systematic curiosity and encouraging critical thinking skills.

Keywords: Science education, interdisciplinary learning, nuclear science; scientific literacy.

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Authors: Omar F. Hamad, T. Marwala

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With optimized bandwidth and latency discrepancy ratios, Node Gain Scores (NGSs) are determined and used as a basis for shaping the max-heap overlay. The NGSs - determined as the respective bandwidth-latency-products - govern the construction of max-heap-form overlays. Each NGS is earned as a synergy of discrepancy ratio of the bandwidth requested with respect to the estimated available bandwidth, and latency discrepancy ratio between the nodes and the source node. The tree leads to enhanceddelivery overlay multicasting – increasing packet delivery which could, otherwise, be hindered by induced packet loss occurring in other schemes not considering the synergy of these parameters on placing the nodes on the overlays. The NGS is a function of four main parameters – estimated available bandwidth, Ba; individual node's requested bandwidth, Br; proposed node latency to its prospective parent (Lp); and suggested best latency as advised by source node (Lb). Bandwidth discrepancy ratio (BDR) and latency discrepancy ratio (LDR) carry weights of α and (1,000 - α ) , respectively, with arbitrary chosen α ranging between 0 and 1,000 to ensure that the NGS values, used as node IDs, maintain a good possibility of uniqueness and balance between the most critical factor between the BDR and the LDR. A max-heap-form tree is constructed with assumption that all nodes possess NGS less than the source node. To maintain a sense of load balance, children of each level's siblings are evenly distributed such that a node can not accept a second child, and so on, until all its siblings able to do so, have already acquired the same number of children. That is so logically done from left to right in a conceptual overlay tree. The records of the pair-wise approximate available bandwidths as measured by a pathChirp scheme at individual nodes are maintained. Evaluation measures as compared to other schemes – Bandwidth Aware multicaSt architecturE (BASE), Tree Building Control Protocol (TBCP), and Host Multicast Tree Protocol (HMTP) - have been conducted. This new scheme generally performs better in terms of trade-off between packet delivery ratio; link stress; control overhead; and end-to-end delays.

Keywords: Overlay multicast, Available bandwidth, Max-heapform overlay, Induced packet loss, Bandwidth-latency product, Node Gain Score (NGS).

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Authors: Dipak Sen, Rajdeep Ghosh

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This paper presents a computational study of steady state three dimensional very high turbulent flow and heat transfer characteristics in a constant temperature-surfaced circular duct fitted with 900 hemispherical inline baffles. The computations are based on realizable k-ɛ model with standard wall function considering the finite volume method, and the SIMPLE algorithm has been implemented. Computational Study are carried out for Reynolds number, Re ranging from 80000 to 120000, Prandtl Number, Pr of 0.73, Pitch Ratios, PR of 1,2,3,4,5 based on the hydraulic diameter of the channel, hydrodynamic entry length, thermal entry length and the test section. Ansys Fluent 15.0 software has been used to solve the flow field. Study reveals that circular pipe having baffles has a higher Nusselt number and friction factor compared to the smooth circular pipe without baffles. Maximum Nusselt number and friction factor are obtained for the PR=5 and PR=1 respectively. Nusselt number increases while pitch ratio increases in the range of study; however, friction factor also decreases up to PR 3 and after which it becomes almost constant up to PR 5. Thermal enhancement factor increases with increasing pitch ratio but with slightly decreasing Reynolds number in the range of study and becomes almost constant at higher Reynolds number. The computational results reveal that optimum thermal enhancement factor of 900 inline hemispherical baffle is about 1.23 for pitch ratio 5 at Reynolds number 120000.It also shows that the optimum pitch ratio for which the baffles can be installed in such very high turbulent flows should be 5. Results show that pitch ratio and Reynolds number play an important role on both fluid flow and heat transfer characteristics.

Keywords: Friction factor, heat transfer, turbulent flow, circular duct, baffle, pitch ratio.

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Authors: Eman. K. Ramadan, Abdelgawad. S. El-Tahawy

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The objective of this study was to evaluate the effects of calving season on the production and economic efficiency of dairy farms in Egypt. Our study was performed at dairy production farms in the Alexandria, Behera, and Kafr El-Sheikh provinces of Egypt from summer 2010 to winter 2013. The randomly selected dairy farms had herds consisting of Baladi, Holstein-Friesian, or cross-bred (Baladi × Holstein-Friesian) cows. The data were collected from production records and responses to a structured questionnaire. The average total return differed significantly (P < 0.05) between the different cattle breeds and calving seasons. The average total return was highest for the Holstein- Friesian cows that calved in the winter (29106.42 EGP/cow/year), and it was lowest for Baladi cows that calved in the summer (12489.79 EGP/cow/year). Differences in total returns between the cows that calved in the winter or summer or between the foreign and native breeds, as well as variations in calf prices, might have contributed to the differences in milk yield. The average net profit per cow differed significantly (P < 0.05) between the cattle breeds and calving seasons. The average net profit values for the Baladi cows that calved in the winter or summer were 2413 and 2994.96 EGP/cow/year, respectively, and those for the Holstein- Friesian cows were 10744.17 and 7860.56 EGP/cow/year, respectively, whereas those for the cross-bred cows were 10174.86 and 7571.33 EGP/cow/year, respectively. The variations in net profit might have resulted from variation in the availability or price of feed materials, milk prices, or sales volumes. Our results show that the breed and calving season of dairy cows significantly affected the economic efficiency of dairy farms in Egypt. The cows that calved in the winter produced more milk than those that calved in the summer, which may have been the result of seasonal influences, such as temperature, humidity, management practices, and the type of feed or green fodder available.

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Authors: Lara Dutil-Fafard, Caroline Rhéaume, Patrick Archambault, Daniel Lafond, Neal W. Pollock

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Improving resources for medical autonomy of astronauts in prolonged space missions, such as a Mars mission, requires not only technology development, but also decision-making support systems. The Advanced Crew Medical System - Medical Condition Requirements study, funded by the Canadian Space Agency, aimed to create knowledge content and a scenario-based query capability to support medical autonomy of astronauts. The key objective of this study was to create a prototype tool for identifying medical infrastructure requirements in terms of medical knowledge, skills and materials. A multicriteria decision-making method was used to prioritize the highest risk medical events anticipated in a long-term space mission. Starting with those medical conditions, event sequence diagrams (ESDs) were created in the form of decision trees where the entry point is the diagnosis and the end points are the predicted outcomes (full recovery, partial recovery, or death/severe incapacitation). The ESD formalism was adapted to characterize and compare possible outcomes of medical conditions as a function of available medical knowledge, skills, and supplies in a given mission scenario. An extensive literature review was performed and summarized in a medical condition database. A PostgreSQL relational database was created to allow query-based evaluation of health outcome metrics with different medical infrastructure scenarios. Critical decision points, skill and medical supply requirements, and probable health outcomes were compared across chosen scenarios. The three medical conditions with the highest risk rank were acute coronary syndrome, sepsis, and stroke. Our efforts demonstrate the utility of this approach and provide insight into the effort required to develop appropriate content for the range of medical conditions that may arise.

Keywords: Decision support system, event sequence diagram, exploration mission, medical autonomy, scenario-based queries, space medicine.

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Authors: M. Nadeem, S. Nasir, K. A. Moazzam, R. Kashif

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The remarkable growth and evolution in information and communication technology (ICT) in the past few decades has transformed modern society in almost every aspect of life. The impact and application of ICT have been observed in almost all walks of life including science, arts, business, health, management, engineering, sports, and education. ICT in education is being used extensively for student learning, creativity, interaction, and knowledge sharing and as a valuable source of teaching instrument. Apart from the student’s perspective, it plays a vital role for teacher education, instructional methods and curriculum development. There is a significant difference in growth of ICT enabled education in developing countries compared to developed nations and according to research, this gap is widening. ICT gradually infiltrate in almost every aspect of life. It has a deep and profound impact on our social, economic, health, environment, development, work, learning, and education environments. ICT provides very effective and dominant tools for information and knowledge processing. It is firmly believed that the coming generation should be proficient and confident in the use of ICT to cope with the existing international standards. This is only possible if schools can provide basic ICT infrastructure to students and to develop an ICT-integrated curriculum which covers all aspects of learning and creativity in students. However, there is a digital divide and steps must be taken to reduce this digital divide considerably to have the profound impact of ICT in education all around the globe. This study is based on theoretical approach and an extensive literature review is being conducted to see the successful implementations of ICT integration in education and to identify technologies and models which have been used in education in developed countries. This paper deals with the modern applications of ICT in schools for both teachers and students to uplift the learning and creativity amongst the students. A brief history of technology in education is presented and discussed are some important ICT tools for both student and teacher’s perspective. Basic ICT-based infrastructure for academic institutions is presented. The overall conclusion leads to the positive impact of ICT in education by providing an interactive, collaborative and challenging environment to students and teachers for knowledge sharing, learning and critical thinking.

Keywords: Information and communication technology, ICT, education, ICT infrastructure, teacher education.

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Authors: Mst. Nilufa Sultana, Shatirah Akib, Muhammad Aqeel Ashraf, Mohamed Roseli Zainal Abidin

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Most people today are aware that global climate change is not just a scientific theory but also a fact with worldwide consequences. Global climate change is due to rapid urbanization, industrialization, high population growth and current vulnerability of the climatic condition. Water is becoming scarce as a result of global climate change. To mitigate the problem arising due to global climate change and its drought effect, harvesting rainwater from green roofs, an environmentally-friendly and versatile technology, is becoming one of the best assessment criteria and gaining attention in Malaysia. This paper addresses the sustainability of green roofs and examines the quality of water harvested from green roofs in comparison to rainwater. The factors that affect the quality of such water, taking into account, for example, roofing materials, climatic conditions, the frequency of rainfall frequency and the first flush. A green roof was installed on the Humid Tropic Centre (HTC) is a place of the study on monitoring program for urban Stormwater Management Manual for Malaysia (MSMA), Eco-Hydrological Project in Kuala Lumpur, and the rainwater was harvested and evaluated on the basis of four parameters i.e., conductivity, dissolved oxygen (DO), pH and temperature. These parameters were found to fall between Class I and Class III of the Interim National Water Quality Standards (INWQS) and the Water Quality Index (WQI). Some preliminary treatment such as disinfection and filtration could likely to improve the value of these parameters to class I. This review paper clearly indicates that there is a need for more research to address other microbiological and chemical quality parameters to ensure that the harvested water is suitable for use potable water for domestic purposes. The change in all physical, chemical and microbiological parameters with respect to storage time will be a major focus of future studies in this field.

Keywords: Green roofs, INWQS, MSMA-SME, Rainwater harvesting.

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Authors: F. S. Eguakun, P. O. Adesoye

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One of the major problems being faced by human society is that the global temperature is believed to be rising due to human activity that releases carbon IV Oxide (CO2) to the atmosphere. Carbon IV Oxide is the most important greenhouse gas influencing global warming and possible climate change. With climate change becoming alarming, reducing CO2 in our atmosphere has become a primary goal of international efforts. Forest lands are major sink and could absorb large quantities of carbon if the trees are judiciously managed. The study aims at estimating the carbon sequestration capacity of Pinus caribaea (pine) and Tectona grandis (Teak) under the prevailing environmental conditions and exploring tree growth variables that influences the carbon sequestration capacity in Omo Forest Reserve, Ogun State, Nigeria. Improving forest management by manipulating growth characteristics that influences carbon sequestration could be an adaptive strategy of forestry to climate change. Random sampling was used to select Temporary Sample Plots (TSPs) in the study area from where complete enumeration of growth variables was carried out within the plots. The data collected were subjected to descriptive and correlational analyses. The results showed that average carbon stored by Pine and Teak are 994.4±188.3 Kg and 1350.7±180.6 Kg respectively. The difference in carbon stored in the species is significant enough to consider choice of species relevant in climate change adaptation strategy. Tree growth variables influence the capacity of the tree to sequester carbon. Height, diameter, volume, wood density and age are positively correlated to carbon sequestration. These tree growth variables could be manipulated by the forest manager as an adaptive strategy for climate change while plantations of high wood density species could be relevant for management strategy to increase carbon storage.

Keywords: Adaptation, carbon sequestration, climate change, growth variables, wood density.

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Authors: Yujie Zhao, Jiantao Weng

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In the past decade, with the rapid development of China's economy, the purchasing power and physical demand of residents have been improved, which results in the vast emergence of public buildings like large shopping malls. However, the architects usually focus on the internal functions and streamlines of these buildings, ignoring the impact of the environment on the subjective feelings of building users. Only in Zhejiang province, the infiltration of cold air in winter frequently occurs at the entrance of sizeable commercial complex buildings that have been in operation, which will affect the environmental comfort of the building lobby and internal public spaces. At present, to reduce these adverse effects, it is usually adopted to add active equipment, such as setting air curtains to block air exchange or adding heating air conditioners. From the perspective of energy consumption, the infiltration of cold air into the entrance will increase the heat consumption of indoor heating equipment, which will indirectly cause considerable economic losses during the whole winter heating stage. Therefore, it is of considerable significance to explore the suitable entrance forms for improving the environmental comfort of commercial buildings and saving energy. In this paper, a commercial complex with apparent cold air infiltration problem in Hangzhou is selected as the research object to establish a model. The environmental parameters of the building entrance, including temperature, wind speed, and infiltration air volume, are obtained by Computational Fluid Dynamics (CFD) simulation, from which the heat consumption caused by the natural air infiltration in the winter and its potential economic loss is estimated as the objective metric. This study finally obtains the optimization direction of the building entrance form of the commercial complex by comparing the simulation results of other local commercial complex projects with different entrance forms. The conclusions will guide the entrance design of the same type of commercial complex in this area.

Keywords: Air infiltration, commercial complex, heat consumption, CFD simulation.

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Authors: Heri Hermansyah, Annisa Kurnia, A. Vania Anisya, Adi Surjosatyo, Yopi Sunarya, Rita Arbianti, Tania Surya Utami

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Lipase is one of biocatalyst which is applied commercially for the process in industries, such as bioenergy, food, and pharmaceutical industry. Nowadays, biocatalysts are preferred in industries because they work in mild condition, high specificity, and reduce energy consumption (high pressure and temperature). But, the usage of lipase for industry scale is limited by economic reason due to the high price of lipase and difficulty of the separation system. Immobilization of lipase is one of the solutions to maintain the activity of lipase and reduce separation system in the process. Therefore, we conduct a study about lipase immobilization with the adsorption-cross linking method using glutaraldehyde because this method produces high enzyme loading and stability. Lipase is immobilized on different kind of resin with the various functional group. Highest enzyme loading (76.69%) was achieved by lipase immobilized on anion macroporous which have anion functional group (OH^‑). However, highest activity (24,69 U/g support) through olive oil emulsion method was achieved by lipase immobilized on anion macroporous-chitosan which have amino (NH₂) and anion (OH^-) functional group. In addition, it also success to produce biodiesel until reach yield 50,6% through interesterification reaction and after 4 cycles stable 63.9% relative with initial yield. While for Aspergillus, niger lipase immobilized on anion macroporous-kitosan have unit activity 22,84 U/g resin and yield biodiesel higher than commercial lipase (69,1%) and after 4 cycles stable reach 70.6% relative from initial yield. This shows that optimum functional group on support for immobilization with adsorption-cross linking is the support that contains amino (NH₂) and anion (OH^-) functional group because they can react with glutaraldehyde and binding with enzyme prevent desorption of lipase from support through binding lipase with a functional group on support.

Keywords: Adsorption-Cross linking, lipase, resin, immobilization.

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Authors: Κonstantinos Kalovrektis, Chryssanthi Palazi

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Schools today face ever-increasing demands in their attempts to ensure that students are well equipped to enter the workforce and navigate a complex world. Research indicates that computer technology can help support learning, implementation of various experiments or learning games, and that it is especially useful in developing the higher-order skills of critical thinking, observation, comprehension, implementation, comparison, analysis and active attention to activities such as research, field work, simulations and scientific inquiry. The ICT in education supports the learning procedure by enabling it to be more flexible and effective, create a rich and attractive training environment and equip the students with knowledge and potential useful for the competitive social environment in which they live. This paper presents the design, the development, and the results of the evaluation analysis of an interactive educational game which using real electric vehicles - toys (material) on a toy race track. When the game starts each student selects a specific vehicle toy. Then students are answering questionnaires in the computer. The vehicles' speed is related to the percentage of right answers in a multiple choice questionnaire (software). Every question has its own significant value depending of the different level of questionnaire. Via the developed software, each right or wrong answers in questionnaire increase or decrease the real time speed of their vehicle toys. Moreover the rate of vehicle's speed increase or decrease depends on the difficulty level of each question. The aim of the work is to attract the student’s interest in a learning process and also to improve their scores. The developed real time game was tested using independent populations of students of age groups: 8-10, 11-14, 15-18 years. Standard educational and statistical analysis tools were used for the evaluation analysis of the game. Results reveal that students using the developed real time control game scored much higher (60%) than students using a traditional simulation game on the same questionnaire. Results further indicate that student's interest in repeating the developed real time control gaming was far higher (70%) than the interest of students using a traditional simulation game.

Keywords: Real time game, sensor, learning games, LabVIEW

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Authors: G. Zuppardi, F. Romano

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Technology of thin film deposition is of interest in many engineering fields, from electronic manufacturing to corrosion protective coating. A typical deposition process, like that developed at the University of Eindhoven, considers the deposition of a thin, amorphous film of C:H or of Si:H on the substrate, using the Expanding Thermal arc Plasma technique. In this paper a computing procedure is proposed to simulate the flow field in a deposition chamber similar to that at the University of Eindhoven and a sensitivity analysis is carried out in terms of: precursor mass flow rate, electrical power, supplied to the torch and fluid-dynamic characteristics of the plasma jet, using different nozzles. To this purpose a deposition chamber similar in shape, dimensions and operating parameters to the above mentioned chamber is considered. Furthermore, a method is proposed for a very preliminary evaluation of the film thickness distribution on the substrate. The computing procedure relies on two codes working in tandem; the output from the first code is the input to the second one. The first code simulates the flow field in the torch, where Argon is ionized according to the Saha-s equation, and in the nozzle. The second code simulates the flow field in the chamber. Due to high rarefaction level, this is a (commercial) Direct Simulation Monte Carlo code. Gas is a mixture of 21 chemical species and 24 chemical reactions from Argon plasma and Acetylene are implemented in both codes. The effects of the above mentioned operating parameters are evaluated and discussed by 2-D maps and profiles of some important thermo-fluid-dynamic parameters, as per Mach number, velocity and temperature. Intensity, position and extension of the shock wave are evaluated and the influence of the above mentioned test conditions on the film thickness and uniformity of distribution are also evaluated.

Keywords: Deposition chamber, Direct Simulation Mote Carlo method (DSMC), Plasma chemistry, Rarefied gas dynamics.

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Authors: J. Hrabovský, M. Chabičovský, J. Horský

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Water spray cooling is a technique typically used in heat treatment and other metallurgical processes where controlled temperature regimes are required. Water spray cooling is used in static (without movement) or dynamic (with movement of the steel plate) regimes. The static regime is notable for the fixed position of the hot steel plate and fixed spray nozzle. This regime is typical for quenching systems focused on heat treatment of the steel plate. The second application of spray cooling is the dynamic regime. The dynamic regime is notable for its static section cooling system and moving steel plate. This regime is used in rolling and finishing mills. The fixed position of cooling sections with nozzles and the movement of the steel plate produce nonhomogeneous water distribution on the steel plate. The length of cooling sections and placement of water nozzles in combination with the nonhomogeneity of water distribution lead to discontinued or interrupted cooling conditions. The impact of static and dynamic regimes on cooling intensity and the heat transfer coefficient during the cooling process of steel plates is an important issue. Heat treatment of steel is accompanied by oxide scale growth. The oxide scale layers can significantly modify the cooling properties and intensity during the cooling. The combination of static and dynamic (section) regimes with the variable thickness of the oxide scale layer on the steel surface impact the final cooling intensity. The study of the influence of the oxide scale layers with different cooling regimes was carried out using experimental measurements and numerical analysis. The experimental measurements compared both types of cooling regimes and the cooling of scale-free surfaces and oxidized surfaces. A numerical analysis was prepared to simulate the cooling process with different conditions of the section and samples with different oxide scale layers.

Keywords: Heat transfer coefficient, numerical analysis, oxide layer, spray cooling.

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Authors: Ibrahim Abubakar Alkali, Abubakar Sarkile Kawuwa, Ibrahim Sani Khalil

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The concept of space and function forms the bedrock for spatial configuration in architectural design. Thus, the effectiveness and functionality of an architectural product depends their cordial relationship. This applies to all buildings especially to a hospital ward setting designed to accommodate various complex and diverse functions. Health care facilities design, especially an inpatient setting, is governed by many regulations and technical requirements. It is also affected by many less defined needs, particularly, response to culture and the need to provide for patient families’ presence and participation. The spatial configuration of the hospital ward setting in developing countries has no consideration for the patient’s families despite the significant role they play in promoting recovery. Attempts to integrate facilities for patients’ families have always been challenging, especially in developing countries like Nigeria, where accommodation for inpatients is predominantly in an open ward system. In addition, the situation is compounded by culture, which significantly dictates healthcare practices in Africa. Therefore, achieving such a hospital ward setting that is patient and family-centered requires careful assessment of family care actions and transaction spaces so as to arrive at an evidence based solution. Therefore, the aim of this study is to identify how hospital ward spaces can be reconfigured to provide for sustainable family integration. In achieving this aim, a qualitative approach using the principles of behavioral mapping was employed in male and female medical wards of the Federal Teaching Hospital (FTH) Gombe, Nigeria. The data obtained was analysed using classical and comparative content analysis. Patients’ families have been found to be a critical component of hospital ward design that cannot be undermined. Accordingly, bedsides, open yards, corridors and foyers have been identified as patient families’ transaction spaces that require design attention. Arriving at sustainable family integration can be achieved by revisiting the design requirements of the family transaction spaces based on the findings in order to avoid the rowdiness of the wards and uncoordinated sprawl.

Keywords: Caregiving, design basics, family integration, hospital ward, sustainability.

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Authors: Satyendra Nath Mandal, J. Pal Choudhury, Dilip De, S. R. Bhadra Chaudhuri

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The selection for plantation of a particular type of mustard plant depending on its productivity (pod yield) at the stage of maturity. The growth of mustard plant dependent on some parameters of that plant, these are shoot length, number of leaves, number of roots and roots length etc. As the plant is growing, some leaves may be fall down and some new leaves may come, so it can not gives the idea to develop the relationship with the seeds weight at mature stage of that plant. It is not possible to find the number of roots and root length of mustard plant at growing stage that will be harmful of this plant as roots goes deeper to deeper inside the land. Only the value of shoot length which increases in course of time can be measured at different time instances. Weather parameters are maximum and minimum humidity, rain fall, maximum and minimum temperature may effect the growth of the plant. The parameters of pollution, water, soil, distance and crop management may be dominant factors of growth of plant and its productivity. Considering all parameters, the growth of the plant is very uncertain, fuzzy environment can be considered for the prediction of shoot length at maturity of the plant. Fuzzification plays a greater role for fuzzification of data, which is based on certain membership functions. Here an effort has been made to fuzzify the original data based on gaussian function, triangular function, s-function, Trapezoidal and L –function. After that all fuzzified data are defuzzified to get normal form. Finally the error analysis (calculation of forecasting error and average error) indicates the membership function appropriate for fuzzification of data and use to predict the shoot length at maturity. The result is also verified using residual (Absolute Residual, Maximum of Absolute Residual, Mean Absolute Residual, Mean of Mean Absolute Residual, Median of Absolute Residual and Standard Deviation) analysis.

Keywords: Fuzzification, defuzzification, gaussian function, triangular function, trapezoidal function, s-function, , membership function, residual analysis.

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Authors: N. Mirzaei Varzeghani, M. Saffarzadeh, A. Naderan, A. Taheri

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Countries are progressing, and the world's busiest airports see year-on-year increases in travel demand. Passenger acceptability of an airport depends on the airport's appeals, which may include one of these routes between the city and the airport, as well as the facilities to reach them. One of the critical roles of transportation planners is to predict future transportation demand so that an integrated, multi-purpose system can be provided and diverse modes of transportation (rail, air, and land) can be delivered to a destination like an airport. In this study, 356 questionnaires were filled out in person over six days. First, the attraction of business and non-business trips was studied using data and a linear regression model. Lower travel costs, more passengers aged 55 and older using this airport, and other factors are essential for business trips. Non-business travelers, on the other hand, have prioritized using personal vehicles to get to the airport and ensuring convenient access to the airport. Business travelers are also less price-sensitive than non-business travelers regarding airport travel. Furthermore, carrying additional luggage (for example, more than one suitcase per person) undoubtedly decreases the attractiveness of public transit. Afterward, based on the manner and purpose of the trip, the locations with the highest trip generation to the airport were identified. The most famous district in Tehran was District 2, with 23 visits, while the most popular mode of transportation was an online taxi, with 12 trips from that location. Then, significant variables in separation and behavior of travel methods to access the airport were investigated for all systems. In this scenario, the most crucial factor is the time it takes to get to the airport, followed by the method's user-friendliness as a component of passenger preference. It has also been demonstrated that enhancing public transportation trip times reduces private transportation's market share, including taxicabs. Based on the responses of personal and semi-public vehicles, the desire of passengers to approach the airport via public transportation systems was explored to enhance present techniques and develop new strategies for providing the most efficient modes of transportation. Using the binary model, it was clear that business travelers and people who had already driven to the airport were the least likely to change.

Keywords: Multimodal transportation, travel behavior, demand modeling, statistical models.

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Authors: A. Ashfak, A. Saheed, K. K. Abdul Rasheed, J. Abdul Jaleel

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This paper presents the design, fabrication and evaluation of magneto-rheological damper. Semi-active control devices have received significant attention in recent years because they offer the adaptability of active control devices without requiring the associated large power sources. Magneto-Rheological (MR) dampers are semi- active control devices that use MR fluids to produce controllable dampers. They potentially offer highly reliable operation and can be viewed as fail-safe in that they become passive dampers if the control hardware malfunction. The advantage of MR dampers over conventional dampers are that they are simple in construction, compromise between high frequency isolation and natural frequency isolation, they offer semi-active control, use very little power, have very quick response, has few moving parts, have a relax tolerances and direct interfacing with electronics. Magneto- Rheological (MR) fluids are Controllable fluids belonging to the class of active materials that have the unique ability to change dynamic yield stress when acted upon by an electric or magnetic field, while maintaining viscosity relatively constant. This property can be utilized in MR damper where the damping force is changed by changing the rheological properties of the fluid magnetically. MR fluids have a dynamic yield stress over Electro-Rheological fluids (ER) and a broader operational temperature range. The objective of this papert was to study the application of an MR damper to vibration control, design the vibration damper using MR fluids, test and evaluate its performance. In this paper the Rheology and the theory behind MR fluids and their use on vibration control were studied. Then a MR vibration damper suitable for vehicle suspension was designed and fabricated using the MR fluid. The MR damper was tested using a dynamic test rig and the results were obtained in the form of force vs velocity and the force vs displacement plots. The results were encouraging and greatly inspire further research on the topic.

Keywords: Magneto-rheological Fluid, MR Damper, Semiactive controller, Electro-rheological fluid.

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Authors: H.R. Balouchi

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To evaluate genetic variation of wheat (Triticum aestivum) affected by heat and drought stress on eight Australian wheat genotypes that are parents of Doubled Haploid (HD) mapping populations at the vegetative stage, the water stress experiment was conducted at 65% field capacity in growth room. Heat stress experiment was conducted in the research field under irrigation over summer. Result show that water stress decreased dry shoot weight and RWC but increased osmolarity and means of Fv/Fm values in all varieties except for Krichauff. Krichauff and Kukri had the maximum RWC under drought stress. Trident variety was shown maximum WUE, osmolarity (610 mM/Kg), dry mater, quantum yield and Fv/Fm 0.815 under water stress condition. However, the recovery of quantum yield was apparent between 4 to 7 days after stress in all varieties. Nevertheless, increase in water stress after that lead to strong decrease in quantum yield. There was a genetic variation for leaf pigments content among varieties under heat stress. Heat stress decreased significantly the total chlorophyll content that measured by SPAD. Krichauff had maximum value of Anthocyanin content (2.978 A/g FW), chlorophyll a+b (2.001 mg/g FW) and chlorophyll a (1.502 mg/g FW). Maximum value of chlorophyll b (0.515 mg/g FW) and Carotenoids (0.234 mg/g FW) content belonged to Kukri. The quantum yield of all varieties decreased significantly, when the weather temperature increased from 28 ÔùªC to 36 ÔùªC during the 6 days. However, the recovery of quantum yield was apparent after 8th day in all varieties. The maximum decrease and recovery in quantum yield was observed in Krichauff. Drought and heat tolerant and moderately tolerant wheat genotypes were included Trident, Krichauff, Kukri and RAC875. Molineux, Berkut and Excalibur were clustered into most sensitive and moderately sensitive genotypes. Finally, the results show that there was a significantly genetic variation among the eight varieties that were studied under heat and water stress.

Keywords: Abiotic stress, genetic variation, fluorescence, wheat genotypes.

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Authors: Parisa Shirzadeh

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Drug delivery systems in which drugs are traditionally used, multi-stage and at specified intervals by patients, do not meet the needs of the world's up-to-date drug delivery. In today's world, we are dealing with a huge number of recombinant peptide and protean drugs and analogues of hormones in the body, most of which are made with genetic engineering techniques. Most of these drugs are used to treat critical diseases such as cancer. Due to the limitations of the traditional method, researchers sought to find ways to solve the problems of the traditional method to a large extent. Following these efforts, controlled drug release systems were introduced, which have many advantages. Using controlled release of the drug in the body, the concentration of the drug is kept at a certain level, and in a short time, it is done at a higher rate. Graphene is a natural material that is biodegradable, non-toxic, natural and wide surfaces of graphene plates makes it more effective to modify graphene than carbon nanotubes. Graphene oxide is often synthesized using concentrated oxidizers such as sulfuric acid, nitric acid, and potassium permanganate based on Hummer method. graphene oxide is very hydrophilic and easily dissolves in water and creates a stable solution. Graphene oxide (GO) has been modified by chitosan (CS) covalently, developed for control release of doxorubicin (DOX). In this study, GO is produced by the hummer method under acidic conditions. Then, it is chlorinated by oxalyl chloride to increase its reactivity against amine. After that, in the presence of CS, the amino reaction was performed to form amide transplantation, and the DOX was connected to the carrier surface by π-π interaction in buffer phosphate. GO, GO-CS, and GO-CS-DOX were characterized by FT-IR and TGA to recognize new functional groups which show the new bonding of CS to GO, RAMA and SEM to recognize size of layers that show changing in size and number of layers. The ability to load and release is determined by UV-Visible spectroscopy. The loading result showed a high capacity of DOX absorption (99%) and pH dependence identified as a result of DOX release from GO-CS nanosheet at pH 5.3 and 7.4, which show a fast release rate in acidic conditions.

Keywords: Graphene oxide, chitosan, nanosheet, controlled drug release, doxorubicin.

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Authors: Ajay V. Kolhe, R. E. Shelke, S. S. Khandare

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The use of biodiesel in conventional diesel engines results in substantial reduction of unburned hydrocarbon, carbon monoxide and particulate matters. The performance, emission and combustion characteristics of a single cylinder four stroke variable compression ratio engine when fueled with Karanja (Pongamia) methyl ester and its 10-50 % blends with diesel (on a volume basis) are investigated and compared with standard diesel. The suitability of karanja methyl ester as a biofuel has been established in this study. The useful brake power obtained is similar to diesel fuel for all loads. Experiment has been conducted at a fixed engine speed of 1500 rpm, variable load and at compression ratios of 17.5:1 and 18.5:1. The impact of compression ratio on fuel consumption, combustion pressures and exhaust gas emissions has been investigated and presented. Optimum compression ratio which gives best performance has been identified. The results indicate longer ignition delay, maximum rate of pressure rise, lower heat release rate and higher mass fraction burnt at higher compression ratio for pongamia oil methyl ester when compared to that of diesel. The brake thermal efficiency for pongamia oil methyl ester blends and diesel has been calculated and the blend B20 is found to give maximum thermal efficiency. The blends when used as fuel results in reduction of carbon monoxide, hydrocarbon and increase in nitrogen oxides emissions. PME as an oxygenated fuel generated more complete combustion, which means increased torque and power. This is also supported with higher thermal efficiencies of the PME blends. NO_x is slightly increased due to the higher combustion temperature and the presence of fuel oxygen with the blend at full load. PME as a new Biodiesel and its blends can be used in diesel engines without any engine modification.

Keywords: Variable compression ratio CI engine, performance, combustion, emissions, biodiesel.

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Authors: Damian Ramajo, Santiago Corzo, Norberto Nigro

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A Multi-dimensional computational fluid dynamics (CFD) two-phase model was developed with the aim to simulate the in-core coolant circuit of a pressurized heavy water reactor (PHWR) of a commercial nuclear power plant (NPP). Due to the fact that this PHWR is a Reactor Pressure Vessel type (RPV), three-dimensional (3D) detailed modelling of the large reservoirs of the RPV (the upper and lower plenums and the downcomer) were coupled with an in-house finite volume one-dimensional (1D) code in order to model the 451 coolant channels housing the nuclear fuel. Regarding the 1D code, suitable empirical correlations for taking into account the in-channel distributed (friction losses) and concentrated (spacer grids, inlet and outlet throttles) pressure losses were used. A local power distribution at each one of the coolant channels was also taken into account. The heat transfer between the coolant and the surrounding moderator was accurately calculated using a two-dimensional theoretical model. The implementation of subcooled boiling and condensation models in the 1D code along with the use of functions for representing the thermal and dynamic properties of the coolant and moderator (heavy water) allow to have estimations of the in-core steam generation under nominal flow conditions for a generic fission power distribution. The in-core mass flow distribution results for steady state nominal conditions are in agreement with the expected from design, thus getting a first assessment of the coupled 1/3D model. Results for nominal condition were compared with those obtained with a previous 1/3D single-phase model getting more realistic temperature patterns, also allowing visualize low values of void fraction inside the upper plenum. It must be mentioned that the current results were obtained by imposing prescribed fission power functions from literature. Therefore, results are showed with the aim of point out the potentiality of the developed model.

Keywords: CFD, PHWR, Thermo-hydraulic, Two-phase flow.

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Authors: V. P. Muhamed Shajudheen, K. Viswanathan, K. Anitha Rani, A. Uma Maheswari, S. Saravana Kumar

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In this paper, a simple chemical precipitation route for the preparation of titanium dioxide nanoparticles, synthesized by using titanium tetra isopropoxide as a precursor and polyvinyl pyrrolidone (PVP) as a capping agent, is reported. The Differential Scanning Calorimetry (DSC) and Thermo Gravimetric Analysis (TGA) of the samples were recorded and the phase transformation temperature of titanium hydroxide, Ti(OH)₄ to titanium oxide, TiO₂ was investigated. The as-prepared Ti(OH)₄ precipitate was annealed at 800°C to obtain TiO₂ nanoparticles. The thermal, structural, morphological and textural characterizations of the TiO₂ nanoparticle samples were carried out by different techniques such as DSC-TGA, X-Ray Diffraction (XRD), Fourier Transform Infra-Red spectroscopy (FTIR), Micro Raman spectroscopy, UV-Visible absorption spectroscopy (UV-Vis), Photoluminescence spectroscopy (PL) and Field Effect Scanning Electron Microscopy (FESEM) techniques. The as-prepared precipitate was characterized using DSC-TGA and confirmed the mass loss of around 30%. XRD results exhibited no diffraction peaks attributable to anatase phase, for the reaction products, after the solvent removal. The results indicate that the product is purely rutile. The vibrational frequencies of two main absorption bands of prepared samples are discussed from the results of the FTIR analysis. The formation of nanosphere of diameter of the order of 10 nm, has been confirmed by FESEM. The optical band gap was found by using UV-Visible spectrum. From photoluminescence spectra, a strong emission was observed. The obtained results suggest that this method provides a simple, efficient and versatile technique for preparing TiO₂ nanoparticles and it has the potential to be applied to other systems for photocatalytic activity.

Keywords: TiO2 nanoparticles, chemical precipitation route, phase transition, Fourier Transform Infra-Red spectroscopy, micro Raman spectroscopy, UV-Visible absorption spectroscopy, Photoluminescence spectroscopy, Field Effect Scanning Electron Microscopy.

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Authors: Mohd.F.Shabir, P. Tamilporai, B. Rajendra Prasath

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The fundamental aim of extended expansion concept is to achieve higher work done which in turn leads to higher thermal efficiency. This concept is compatible with the application of turbocharger and LHR engine. The Low Heat Rejection engine was developed by coating the piston crown, cylinder head inside with valves and cylinder liner with partially stabilized zirconia coating of 0.5 mm thickness. Extended expansion in diesel engines is termed as Miller cycle in which the expansion ratio is increased by reducing the compression ratio by modifying the inlet cam for late inlet valve closing. The specific fuel consumption reduces to an appreciable level and the thermal efficiency of the extended expansion turbocharged LHR engine is improved. In this work, a thermodynamic model was formulated and developed to simulate the LHR based extended expansion turbocharged direct injection diesel engine. It includes a gas flow model, a heat transfer model, and a two zone combustion model. Gas exchange model is modified by incorporating the Miller cycle, by delaying inlet valve closing timing which had resulted in considerable improvement in thermal efficiency of turbocharged LHR engines. The heat transfer model, calculates the convective and radiative heat transfer between the gas and wall by taking into account of the combustion chamber surface temperature swings. Using the two-zone combustion model, the combustion parameters and the chemical equilibrium compositions were determined. The chemical equilibrium compositions were used to calculate the Nitric oxide formation rate by assuming a modified Zeldovich mechanism. The accuracy of this model is scrutinized against actual test results from the engine. The factors which affect thermal efficiency and exhaust emissions were deduced and their influences were discussed. In the final analysis it is seen that there is an excellent agreement in all of these evaluations.

Keywords: Low Heat Rejection, Miller cycle.

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Authors: B. Sudhakar, K. A. Ponnusamy

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In India cotton was the major commercial crop and cultivating all the states. In recent years, area of cotton declined due to pest and disease attack, drought, lower price for the produces etc. The first reason as pest and disease attack will be the challenges and it is of utmost importance that in future the insect problems would have to be tackled through Integrated Pest Management (IPM). The present study deals with principle knowledge of IPM adopting cotton cultivators in irrigated and rainfed conditions. Under irrigated conditions, among cultural practices, all respondents had principle knowledge about growing high yielding and pest resistant hybrids, sowing quality and certified seeds and avoiding cotton ratoon cropping. Regarding mechanical practices all respondents had principle knowledge about collecting and destroying egg, larvae and pupae of pests and removing and destroying pest and disease infected cotton squares, flowers and other shed materials. With regard to biological practices, 93% of them had principle knowledge about spraying neem oil, followed by 82% about tying Trichogramma eggcard. Among chemical practices, more than 90% of the respondents had principle knowledge about of spraying herbicide (96%), identifying ETL (Economic Threshold Level) for cotton pests (94%), and applying safe insecticides (90%). Under rainfed condition, among cultural practices, all respondents had principle knowledge about sowing quality and certified seeds and growing high yielding and pest resistant hybrids seeds. Regarding mechanical practices hundred percentage of the respondents had principle knowledge on the mechanical practices viz., collecting and destroying egg, larvae and pupae of pests and removing and destroying pest and disease infected cotton squares, flowers and other shed materials. With regard to biological practices, 96% of the respondents had correct in principle knowledge about spraying neem oil, followed by 89% about tying Trichogramma eggcard. With regard to chemical practices, more than 90% of the respondents had principle knowledge of applying safe insecticides (95%), avoiding repeated use of the same insecticides (95%), identifying ETL for cotton pests (94%) and applying granular insecticides (90%).

Keywords: Biological practices, chemical practices, cultural practices, mechanical practices, integrated pest management.

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Authors: Wan-Ting Liao, Angela K. Tzeng

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Empathy has been an important issue in psychology, education, as well as cognitive neuroscience. Empathy has two major components: cognitive and emotional. Cognitive component refers to the ability to understand others’ perspectives, thoughts, and actions, whereas emotional component refers to understand how others feel. Empathy can be induced, attitude can then be changed, and with enough attitude change, helping behavior can occur. This finding leads us to two questions: is attitude change really necessary for prosocial behavior? And, what roles cognitive and affective empathy play? For the second question, participants with different psychopathic personality (PP) traits are critical because high PP people were found to suffer only affective empathy deficit. Their cognitive empathy shows no significant difference from the control group. 132 college students voluntarily participated in the current three-stage study. Stage 1 was to collect basic information including Interpersonal Reactivity Index (IRI), Psychopathic Personality Inventory-Revised (PPI-R), Attitude Scale, Visual Analogue Scale (VAS), and demographic data. Stage two was for empathy induction with three controversial scenarios, namely domestic violence, depression with a suicide attempt, and an ex-offender. Participants read all three stories and then rewrite the stories by one of two perspectives (empathetic vs. objective). They would then complete the VAS and Attitude Scale one more time for their post-attitude and emotional status. Three IVs were introduced for data analysis: PP (High vs. Low), Responsibility (whether or not the character is responsible for what happened), and Perspective-taking (Empathic vs. Objective). Stage 3 was for the action. Participants were instructed to freely use the 17 tokens they received as donations. They were debriefed and interviewed at the end of the experiment. The major findings were people with higher empathy tend to take more action in helping. Attitude change is not necessary for prosocial behavior. The controversy of the scenarios and how familiar participants are towards target groups play very important roles. Finally, people with high PP tend to show more public prosocial behavior due to their affective empathy deficit. Pre-existing value and belief as well as recent dramatic social events seem to have a big impact and possibly reduce the effect of the independent variables (IV) in our paradigm.

Keywords: Affective empathy, attitude, cognitive empathy, prosocial behavior, psychopathic traits.

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Authors: Charbel Geryes Aoun, Loic Lagadec

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A Sensor Network (SN) is considered as an operation of two phases: (1) the observation/measuring, which means the accumulation of the gathered data at each sensor node; (2) transferring the collected data to some processing center (e.g. Fusion Servers) within the SN. Therefore, an underwater sensor network can be defined as a sensor network deployed underwater that monitors underwater activity. The deployed sensors, such as hydrophones, are responsible for registering underwater activity and transferring it to more advanced components. The process of data exchange between the aforementioned components perfectly defines the Marine Observatory (MO) concept which provides information on ocean state, phenomena and processes. The first step towards the implementation of this concept is defining the environmental constraints and the required tools and components (Marine Cables, Smart Sensors, Data Fusion Server, etc). The logical and physical components that are used in these observatories perform some critical functions such as the localization of underwater moving objects. These functions can be orchestrated with other services (e.g. military or civilian reaction). In this paper, we present an extension to our MO meta-model that is used to generate a design tool (ArchiMO). We propose constraints to be taken into consideration at design time. We illustrate our proposal with an example from the MO domain. Additionally, we generate the corresponding simulation code using our self-developed domain-specific model compiler. On the one hand, this illustrates our approach in relying on Enterprise Architecture (EA) framework that respects: multiple-views, perspectives of stakeholders, and domain specificity. On the other hand, it helps reducing both complexity and time spent in design activity, while preventing from design modeling errors during porting this activity in the MO domain. As conclusion, this work aims to demonstrate that we can improve the design activity of complex system based on the use of MDE technologies and a domain-specific modeling language with the associated tooling. The major improvement is to provide an early validation step via models and simulation approach to consolidate the system design.

Keywords: Smart sensors, data fusion, distributed fusion architecture, sensor networks, domain specific modeling language, enterprise architecture, underwater moving object, localization, marine observatory, NS-3, IMS.

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Authors: Alan Luo, Hunter N. B. Moseley

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Many macromolecular structure entries in the Protein Data Bank (PDB) have a range of regional (localized) quality issues, be it derived from X-ray crystallography, Nuclear Magnetic Resonance (NMR) spectroscopy, or other experimental approaches. However, most PDB entries are judged by global quality metrics like R-factor, R-free, and resolution for X-ray crystallography or backbone phi-psi distribution statistics and average restraint violations for NMR. Regional quality is often ignored when PDB entries are re-used for a variety of structurally based analyses. The binding of ligands, especially ligands involved in energy metabolism, is of particular interest in many structurally focused protein studies. Using a regional quality metric that provides chemically interpretable information from electron density maps, a significant number of outliers in regional structural quality was detected across X-ray crystallographic PDB entries for proteins bound to biochemically critical ligands. In this study, a series of analyses was performed to evaluate both specific and general potential factors that could promote these outliers. In particular, these potential factors were the minimum distance to a metal ion, the minimum distance to a crystal contact, and the isotropic atomic b-factor. To evaluate these potential factors, Fisher’s exact tests were performed, using regional quality criteria of outlier (top 1%, 2.5%, 5%, or 10%) versus non-outlier compared to a potential factor metric above versus below a certain outlier cutoff. The results revealed a consistent general effect from region-specific normalized b-factors but no specific effect from metal ion contact distances and only a very weak effect from crystal contact distance as compared to the b-factor results. These findings indicate that no single specific potential factor explains a majority of the outlier ligand-bound regions, implying that human error is likely as important as these other factors. Thus, all factors, including human error, should be considered when regions of low structural quality are detected. Also, the downstream re-use of protein structures for studying ligand-bound conformations should screen the regional quality of the binding sites. Doing so prevents misinterpretation due to the presence of structural uncertainty or flaws in regions of interest.

Keywords: Biomacromolecular structure, coenzyme, electron density discrepancy analysis, X-ray crystallography.

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Authors: T. R. Bandara, H. Jaelani, G. J. Griffin

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The conversion of lignocellulosic waste materials, such as sugar cane bagasse, to biofuels such as ethanol has attracted significant interest as a potential element for transforming transport fuel supplies to totally renewable sources. However, the refractory nature of the cellulosic structure of lignocellulosic materials has impeded progress on developing an economic process, whereby the cellulose component may be effectively broken down to glucose monosaccharides and then purified to allow downstream fermentation. Ionic liquid (IL) treatment of lignocellulosic biomass has been shown to disrupt the crystalline structure of cellulose thus potentially enabling the cellulose to be more readily hydrolysed to monosaccharides. Furthermore, conventional hydrolysis of lignocellulosic materials yields byproducts that are inhibitors for efficient fermentation of the monosaccharides. However, selective extraction of monosaccharides from an aqueous/IL phase into an organic phase utilizing a combination of boronic acids and quaternary amines has shown promise as a purification process. Hydrolysis of sugar cane bagasse immersed in an aqueous solution with IL (1-ethyl-3-methylimidazolium acetate) was conducted at different pH and temperature below 100 ºC. It was found that the use of a high concentration of hydrochloric acid to acidify the solution inhibited the hydrolysis of bagasse. At high pH (i.e. basic conditions), using sodium hydroxide, catalyst yields were reduced for total reducing sugars (TRS) due to the rapid degradation of the sugars formed. For purification trials, a supported liquid membrane (SLM) apparatus was constructed, whereby a synthetic solution containing xylose and glucose in an aqueous IL phase was transported across a membrane impregnated with phenyl boronic acid/Aliquat 336 to an aqueous phase. The transport rate of xylose was generally higher than that of glucose indicating that a SLM scheme may not only be useful for purifying sugars from undesirable toxic compounds, but also for fractionating sugars to improve fermentation efficiency.

Keywords: Biomass, bagasse, hydrolysis, monosaccharide, supported liquid membrane, purification.

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