Search results for: linear matrix inequality
Commenced in January 2007
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Paper Count: 2637

Search results for: linear matrix inequality

87 A Case Study on the Efficacy of Technical Laboratory Safety in Polytechnic

Authors: Zulhisyam Salleh, Erita M. Mazlan, Saiful A. Mazlan, Norzainariah A. Hassan, Fizatul A. Patakor

Abstract:

Technical laboratories are typically considered as highly hazardous places in the polytechnic institution when addressing the problems of high incidences and fatality rates. In conjunction with several topics covered in the technical curricular, safety and health precaution should be highlighted in order to connect to few key ideas of being safe. Therefore the assessment of safety awareness in terms of safety and health about hazardous and risks at laboratories is needed and has to be incorporated with technical education and other training programmes. The purpose of this study was to determine the efficacy of technical laboratory safety in one of the polytechnics in northern region. The study examined three related issues that were; the availability of safety material and equipment, safety practice adopted by technical teachers and administrator-s safety attitudes in enforcing safety to the students. A model of efficacy technical laboratory was developed to test the linear relationship between existing safety material and equipment, teachers- safety practice and administrators- attitude in enforcing safety and to identify which of technical laboratory safety issues was the most pertinent factor to realize safety in technical laboratory. This was done by analyzing survey-based data sets particularly those obtained from samples of 210 students in the polytechnic. The Pearson Correlation was used to measure the association between the variables and to test the research hypotheses. The result of the study has found that there was a significant correlation between existing safety material and equipment, safety practice adopted by teacher and administrator-s attitude. There was also a significant relationship between technical laboratory safety and safety practice adopted by teacher and between technical laboratory safety and administrator attitude. Hence, safety practice adopted by teacher and administrator attitude is vital in realizing technical laboratory safety.

Keywords: Polytechnic, Safety attitudes, Safety practices, Technical laboratory

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86 Ordinal Regression with Fenton-Wilkinson Order Statistics: A Case Study of an Orienteering Race

Authors: Joonas Pääkkönen

Abstract:

In sports, individuals and teams are typically interested in final rankings. Final results, such as times or distances, dictate these rankings, also known as places. Places can be further associated with ordered random variables, commonly referred to as order statistics. In this work, we introduce a simple, yet accurate order statistical ordinal regression function that predicts relay race places with changeover-times. We call this function the Fenton-Wilkinson Order Statistics model. This model is built on the following educated assumption: individual leg-times follow log-normal distributions. Moreover, our key idea is to utilize Fenton-Wilkinson approximations of changeover-times alongside an estimator for the total number of teams as in the notorious German tank problem. This original place regression function is sigmoidal and thus correctly predicts the existence of a small number of elite teams that significantly outperform the rest of the teams. Our model also describes how place increases linearly with changeover-time at the inflection point of the log-normal distribution function. With real-world data from Jukola 2019, a massive orienteering relay race, the model is shown to be highly accurate even when the size of the training set is only 5% of the whole data set. Numerical results also show that our model exhibits smaller place prediction root-mean-square-errors than linear regression, mord regression and Gaussian process regression.

Keywords: Fenton-Wilkinson approximation, German tank problem, log-normal distribution, order statistics, ordinal regression, orienteering, sports analytics, sports modeling.

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85 Collapse Load Analysis of Reinforced Concrete Pile Group in Liquefying Soils under Lateral Loading

Authors: Pavan K. Emani, Shashank Kothari, V. S. Phanikanth

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The ultimate load analysis of RC pile groups has assumed a lot of significance under liquefying soil conditions, especially due to post-earthquake studies of 1964 Niigata, 1995 Kobe and 2001 Bhuj earthquakes. The present study reports the results of numerical simulations on pile groups subjected to monotonically increasing lateral loads under design amounts of pile axial loading. The soil liquefaction has been considered through the non-linear p-y relationship of the soil springs, which can vary along the depth/length of the pile. This variation again is related to the liquefaction potential of the site and the magnitude of the seismic shaking. As the piles in the group can reach their extreme deflections and rotations during increased amounts of lateral loading, a precise modeling of the inelastic behavior of the pile cross-section is done, considering the complete stress-strain behavior of concrete, with and without confinement, and reinforcing steel, including the strain-hardening portion. The possibility of the inelastic buckling of the individual piles is considered in the overall collapse modes. The model is analysed using Riks analysis in finite element software to check the post buckling behavior and plastic collapse of piles. The results confirm the kinds of failure modes predicted by centrifuge test results reported by researchers on pile group, although the pile material used is significantly different from that of the simulation model. The extension of the present work promises an important contribution to the design codes for pile groups in liquefying soils.

Keywords: Collapse load analysis, inelastic buckling, liquefaction, pile group.

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84 Estimating Spatial Disaggregation of Urban Thermal Responsiveness on Summer Diurnal Range with a Numerical Modeling Approach in Bangkok, Thailand

Authors: Manat Srivanit, Hokao Kazunori

Abstract:

Facing the concern of the population to its environment and to climatic change, city planners are now considering the urban climate in their choices of planning. The urban climate, representing different urban morphologies across central Bangkok metropolitan area (BMA), are used to investigates the effects of both the composition and configuration of variables of urban morphology indicators on the summer diurnal range of urban climate, using correlation analyses and multiple linear regressions. Results show first indicate that approximately 92.6% of the variation in the average maximum daytime near-surface air temperature (Ta) was explained jointly by the two composition variables of urban morphology indicators including open space ratio (OSR) and floor area ratio (FAR). It has been possible to determine the membership of sample areas to the local climate zones (LCZs) using these urban morphology descriptors automatically computed with GIS and remote sensed data. Finally result found the temperature differences among zones of large separation, such as the city center could be respectively from 35.48±1.04ºC (Mean±S.D.) warmer than the outskirt of Bangkok on average for maximum daytime near surface temperature to 28.27±0.21ºC for extreme event and, can exceed as 8ºC. A spatially disaggregation of urban thermal responsiveness map would be helpful for several reasons. First, it would localize urban areas concerned by different climate behavior over summer daytime and be a good indicator of urban climate variability. Second, when overlaid with a land cover map, this map may contribute to identify possible urban management strategies to reduce heat wave effects in BMA.

Keywords: Urban climate, Urban morphology, Local climate zone, Urban planning, GIS and remote sensing

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83 Application of Single Tuned Passive Filters in Distribution Networks at the Point of Common Coupling

Authors: M. Almutairi, S. Hadjiloucas

Abstract:

The harmonic distortion of voltage is important in relation to power quality due to the interaction between the large diffusion of non-linear and time-varying single-phase and three-phase loads with power supply systems. However, harmonic distortion levels can be reduced by improving the design of polluting loads or by applying arrangements and adding filters. The application of passive filters is an effective solution that can be used to achieve harmonic mitigation mainly because filters offer high efficiency, simplicity, and are economical. Additionally, possible different frequency response characteristics can work to achieve certain required harmonic filtering targets. With these ideas in mind, the objective of this paper is to determine what size single tuned passive filters work in distribution networks best, in order to economically limit violations caused at a given point of common coupling (PCC). This article suggests that a single tuned passive filter could be employed in typical industrial power systems. Furthermore, constrained optimization can be used to find the optimal sizing of the passive filter in order to reduce both harmonic voltage and harmonic currents in the power system to an acceptable level, and, thus, improve the load power factor. The optimization technique works to minimize voltage total harmonic distortions (VTHD) and current total harmonic distortions (ITHD), where maintaining a given power factor at a specified range is desired. According to the IEEE Standard 519, both indices are viewed as constraints for the optimal passive filter design problem. The performance of this technique will be discussed using numerical examples taken from previous publications.

Keywords: Harmonics, passive filter, power factor, power quality.

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82 Efficient Real-time Remote Data Propagation Mechanism for a Component-Based Approach to Distributed Manufacturing

Authors: V. Barot, S. McLeod, R. Harrison, A. A. West

Abstract:

Manufacturing Industries face a crucial change as products and processes are required to, easily and efficiently, be reconfigurable and reusable. In order to stay competitive and flexible, situations also demand distribution of enterprises globally, which requires implementation of efficient communication strategies. A prototype system called the “Broadcaster" has been developed with an assumption that the control environment description has been engineered using the Component-based system paradigm. This prototype distributes information to a number of globally distributed partners via an adoption of the circular-based data processing mechanism. The work highlighted in this paper includes the implementation of this mechanism in the domain of the manufacturing industry. The proposed solution enables real-time remote propagation of machine information to a number of distributed supply chain client resources such as a HMI, VRML-based 3D views and remote client instances regardless of their distribution nature and/ or their mechanisms. This approach is presented together with a set of evaluation results. Authors- main concentration surrounds the reliability and the performance metric of the adopted approach. Performance evaluation is carried out in terms of the response times taken to process the data in this domain and compared with an alternative data processing implementation such as the linear queue mechanism. Based on the evaluation results obtained, authors justify the benefits achieved from this proposed implementation and highlight any further research work that is to be carried out.

Keywords: Broadcaster, circular buffer, Component-based, distributed manufacturing, remote data propagation.

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81 Methane versus Carbon Dioxide: Mitigation Prospects

Authors: Alexander J. Severinsky, Allen L. Sessoms

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Atmospheric carbon dioxide (CO2) has dominated the discussion around the causes of climate change. This is a reflection of a 100-year time horizon for all greenhouse gases that became a norm.  The 100-year time horizon is much too long – and yet, almost all mitigation efforts, including those set in the near-term frame of within 30 years, are still geared toward it. In this paper, we show that for a 30-year time horizon, methane (CH4) is the greenhouse gas whose radiative forcing exceeds that of CO2. In our analysis, we use the radiative forcing of greenhouse gases in the atmosphere, because they directly affect the rise in temperature on Earth. We found that in 2019, the radiative forcing (RF) of methane was ~2.5 W/m2 and that of carbon dioxide was ~2.1 W/m2. Under a business-as-usual (BAU) scenario until 2050, such forcing would be ~2.8 W/m2 and ~3.1 W/m2 respectively. There is a substantial spread in the data for anthropogenic and natural methane (CH4) emissions, along with natural gas, (which is primarily CH4), leakages from industrial production to consumption. For this reason, we estimate the minimum and maximum effects of a reduction of these leakages, and assume an effective immediate reduction by 80%. Such action may serve to reduce the annual radiative forcing of all CH4 emissions by ~15% to ~30%. This translates into a reduction of RF by 2050 from ~2.8 W/m2 to ~2.5 W/m2 in the case of the minimum effect that can be expected, and to ~2.15 W/m2 in the case of the maximum effort to reduce methane leakages. Under the BAU, we find that the RF of CO2 will increase from ~2.1 W/m2 now to ~3.1 W/m2 by 2050. We assume a linear reduction of 50% in anthropogenic emission over the course of the next 30 years, which would reduce the radiative forcing of CO2 from ~3.1 W/m2 to ~2.9 W/m2. In the case of "net zero," the other 50% of only anthropogenic CO2 emissions reduction would be limited to being either from sources of emissions or directly from the atmosphere. In this instance, the total reduction would be from ~3.1 W/m2 to ~2.7 W/m2, or ~0.4 W/m2. To achieve the same radiative forcing as in the scenario of maximum reduction of methane leakages of ~2.15 W/m2, an additional reduction of radiative forcing of CO2 would be approximately 2.7 -2.15 = 0.55 W/m2. In total, one would need to remove ~660 GT of CO2 from the atmosphere in order to match the maximum reduction of current methane leakages, and ~270 GT of CO2 from emitting sources, to reach "negative emissions". This amounts to over 900 GT of CO2.

Keywords: Methane Leakages, Methane Radiative Forcing, Methane Mitigation, Methane Net Zero.

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80 Identification of the Best Blend Composition of Natural Rubber-High Density Polyethylene Blends for Roofing Applications

Authors: W. V. W. H. Wickramaarachchi, S. Walpalage, S. M. Egodage

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Thermoplastic elastomer (TPE) is a multifunctional polymeric material which possesses a combination of excellent properties of parent materials. Basically, TPE has a rubber phase and a thermoplastic phase which gives processability as thermoplastics. When the rubber phase is partially or fully crosslinked in the thermoplastic matrix, TPE is called as thermoplastic elastomer vulcanizate (TPV). If the rubber phase is non-crosslinked, it is called as thermoplastic elastomer olefin (TPO). Nowadays TPEs are introduced into the commercial market with different products. However, the application of TPE as a roofing material is limited. Out of the commercially available roofing products from different materials, only single ply roofing membranes and plastic roofing sheets are produced from rubbers and plastics. Natural rubber (NR) and high density polyethylene (HDPE) are used in various industrial applications individually with some drawbacks. Therefore, this study was focused to develop both TPO and TPV blends from NR and HDPE at different compositions and then to identify the best blend composition to use as a roofing material. A series of blends by varying NR loading from 10 wt% to 50 wt%, at 10 wt% intervals, were prepared using a twin screw extruder. Dicumyl peroxide was used as a crosslinker for TPV. The standard properties for a roofing material like tensile properties tear strength, hardness, impact strength, water absorption, swell/gel analysis and thermal characteristics of the blends were investigated. Change of tensile strength after exposing to UV radiation was also studied. Tensile strength, hardness, tear strength, melting temperature and gel content of TPVs show higher values compared to TPOs at every loading studied, while water absorption and swelling index show lower values, suggesting TPVs are more suitable than TPOs for roofing applications. Most of the optimum properties were shown at 10/90 (NR/HDPE) composition. However, high impact strength and gel content were shown at 20/80 (NR/HDPE) composition. Impact strength, as being an energy absorbing property, is the most important for a roofing material in order to resist impact loads. Therefore, 20/80 (NR/HDPE) is identified as the best blend composition. UV resistance and other properties required for a roofing material could be achieved by incorporating suitable additives to TPVs.

Keywords: Thermoplastic elastomer, natural rubber, high density polyethylene, roofing material.

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79 Assessing the Suitability of South African Waste Foundry Sand as an Additive in Clay Masonry Products

Authors: Nthabiseng Portia Mahumapelo, Andre van Niekerk, Ndabenhle Sosibo, Nirdesh Singh

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The foundry industry generates large quantities of solid waste in the form of waste foundry sand. The ever-increasing quantities of this type of industrial waste put pressure on land-filling space and its proper management has become a global concern. The South African foundry industry is not different when it comes to this solid waste generation. Utilizing the foundry waste sand in other applications has become an attractive avenue to deal with this waste stream. In the present paper, an evaluation was done on the suitability of foundry waste sand as an additive in clay masonry products. Purchased clay was added to the foundry waste sand sample in a 50/50 ratio. The mixture was named FC sample. The FC sample was mixed with water in a pan mixer until the mixture was consistent and suitable for extrusion. The FC sample was extruded and cut into briquettes. Water absorption, shrinkage and modulus of rupture tests were conducted on the resultant briquettes. Foundry waste sand and FC samples were respectively characterized mineralogically using X-Ray Diffraction, and the major and trace elements were determined using Inductively Coupled Plasma Optical Emission Spectroscopy. Adding purchased clay to the foundry waste sand positively influenced the workability of the test sample. Another positive characteristic was the low linear shrinkage, which indicated that products manufactured from the FC sample would not be susceptible to cracking. The water absorption values were acceptable and the unfired and fired strength values of the briquette’s samples were acceptable. In conclusion, tests showed that foundry waste sand can be used as an additive in masonry clay bricks, provided it is blended with good quality clay.

Keywords: Foundry waste sand, masonry clay bricks, modulus of rupture, shrinkage.

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78 Sustainability Assessment of a Deconstructed Residential House

Authors: Atiq U. Zaman, Juliet Arnott

Abstract:

This paper analyses the various benefits and barriers of residential deconstruction in the context of environmental performance and circular economy based on a case study project in Christchurch, New Zealand. The case study project “Whole House Deconstruction” which aimed, firstly, to harvest materials from a residential house, secondly, to produce new products using the recovered materials, and thirdly, to organize an exhibition for the local public to promote awareness on resource conservation and sustainable deconstruction practices. Through a systematic deconstruction process, the project recovered around 12 tonnes of various construction materials, most of which would otherwise be disposed of to landfill in the traditional demolition approach. It is estimated that the deconstruction of a similar residential house could potentially prevent around 27,029 kg of carbon emission to the atmosphere by recovering and reusing the building materials. In addition, the project involved local designers to produce 400 artefacts using the recovered materials and to exhibit them to accelerate public awareness. The findings from this study suggest that the deconstruction project has significant environmental benefits, as well as social benefits by involving the local community and unemployed youth as a part of their professional skills development opportunities. However, the project faced a number of economic and institutional challenges. The study concludes that with proper economic models and appropriate institutional support a significant amount of construction and demolition waste can be reduced through a systematic deconstruction process. Traditionally, the greatest benefits from such projects are often ignored and remain unreported to wider audiences as most of the external and environmental costs have not been considered in the traditional linear economy.

Keywords: Circular economy, construction and demolition waste, resource recovery, systematic deconstruction, sustainable waste management.

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77 Nuclear Fuel Safety Threshold Determined by Logistic Regression Plus Uncertainty

Authors: D. S. Gomes, A. T. Silva

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Analysis of the uncertainty quantification related to nuclear safety margins applied to the nuclear reactor is an important concept to prevent future radioactive accidents. The nuclear fuel performance code may involve the tolerance level determined by traditional deterministic models producing acceptable results at burn cycles under 62 GWd/MTU. The behavior of nuclear fuel can simulate applying a series of material properties under irradiation and physics models to calculate the safety limits. In this study, theoretical predictions of nuclear fuel failure under transient conditions investigate extended radiation cycles at 75 GWd/MTU, considering the behavior of fuel rods in light-water reactors under reactivity accident conditions. The fuel pellet can melt due to the quick increase of reactivity during a transient. Large power excursions in the reactor are the subject of interest bringing to a treatment that is known as the Fuchs-Hansen model. The point kinetic neutron equations show similar characteristics of non-linear differential equations. In this investigation, the multivariate logistic regression is employed to a probabilistic forecast of fuel failure. A comparison of computational simulation and experimental results was acceptable. The experiments carried out use the pre-irradiated fuels rods subjected to a rapid energy pulse which exhibits the same behavior during a nuclear accident. The propagation of uncertainty utilizes the Wilk's formulation. The variables chosen as essential to failure prediction were the fuel burnup, the applied peak power, the pulse width, the oxidation layer thickness, and the cladding type.

Keywords: Logistic regression, reactivity-initiated accident, safety margins, uncertainty propagation.

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76 The Loess Regression Relationship Between Age and BMI for both Sydney World Masters Games Athletes and the Australian National Population

Authors: Joe Walsh, Mike Climstein, Ian Timothy Heazlewood, Stephen Burke, Jyrki Kettunen, Kent Adams, Mark DeBeliso

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Thousands of masters athletes participate quadrennially in the World Masters Games (WMG), yet this cohort of athletes remains proportionately under-investigated. Due to a growing global obesity pandemic in context of benefits of physical activity across the lifespan, the BMI trends for this unique population was of particular interest. The nexus between health, physical activity and aging is complex and has raised much interest in recent times due to the realization that a multifaceted approach is necessary in order to counteract the obesity pandemic. By investigating age based trends within a population adhering to competitive sport at older ages, further insight might be gleaned to assist in understanding one of many factors influencing this relationship.BMI was derived using data gathered on a total of 6,071 masters athletes (51.9% male, 48.1% female) aged 25 to 91 years ( =51.5, s =±9.7), competing at the Sydney World Masters Games (2009). Using linear and loess regression it was demonstrated that the usual tendency for prevalence of higher BMI increasing with age was reversed in the sample. This trend in reversal was repeated for both male and female only sub-sets of the sample participants, indicating the possibility of improved prevalence of BMI with increasing age for both the sample as a whole and these individual sub-groups.This evidence of improved classification in one index of health (reduced BMI) for masters athletes (when compared to the general population) implies there are either improved levels of this index of health with aging due to adherence to sport or possibly the reduced BMI is advantageous and contributes to this cohort adhering (or being attracted) to masters sport at older ages.

Keywords: Aging, masters athlete, Quetelet Index, sport

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75 Layer-by-Layer Deposition of Poly (Ethylene Imine) Nanolayers on Polypropylene Nonwoven Fabric. Electrostatic and Thermal Properties

Authors: Dawid Stawski, Silviya Halacheva, Dorota Zielińska

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The surface properties of many materials can be readily and predictably modified by the controlled deposition of thin layers containing appropriate functional groups and this research area is now a subject of widespread interest. The layer-by-layer (lbl) method involves depositing oppositely charged layers of polyelectrolytes onto the substrate material which are stabilized due to strong electrostatic forces between adjacent layers. This type of modification affords products that combine the properties of the original material with the superficial parameters of the new external layers. Through an appropriate selection of the deposited layers, the surface properties can be precisely controlled and readily adjusted in order to meet the requirements of the intended application. In the presented paper a variety of anionic (poly(acrylic acid)) and cationic (linear poly(ethylene imine), polymers were successfully deposited onto the polypropylene nonwoven using the lbl technique. The chemical structure of the surface before and after modification was confirmed by reflectance FTIR spectroscopy, volumetric analysis and selective dyeing tests. As a direct result of this work, new materials with greatly improved properties have been produced. For example, following a modification process significant changes in the electrostatic activity of a range of novel nanocomposite materials were observed. The deposition of polyelectrolyte nanolayers was found to strongly accelerate the loss of electrostatically generated charges and to increase considerably the thermal resistance properties of the modified fabric (the difference in T50% is over 20oC). From our results, a clear relationship between the type of polyelectrolyte layer deposited onto the flat fabric surface and the properties of the modified fabric was identified.

Keywords: Layer-by-layer technique, polypropylene nonwoven, surface modification, surface properties.

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74 Necessary Condition to Utilize Adaptive Control in Wind Turbine Systems to Improve Power System Stability

Authors: Javad Taherahmadi, Mohammad Jafarian, Mohammad Naser Asefi

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The global capacity of wind power has dramatically increased in recent years. Therefore, improving the technology of wind turbines to take different advantages of this enormous potential in the power grid, could be interesting subject for scientists. The doubly-fed induction generator (DFIG) wind turbine is a popular system due to its many advantages such as the improved power quality, high energy efficiency and controllability, etc. With an increase in wind power penetration in the network and with regard to the flexible control of wind turbines, the use of wind turbine systems to improve the dynamic stability of power systems has been of significance importance for researchers. Subsynchronous oscillations are one of the important issues in the stability of power systems. Damping subsynchronous oscillations by using wind turbines has been studied in various research efforts, mainly by adding an auxiliary control loop to the control structure of the wind turbine. In most of the studies, this control loop is composed of linear blocks. In this paper, simple adaptive control is used for this purpose. In order to use an adaptive controller, the convergence of the controller should be verified. Since adaptive control parameters tend to optimum values in order to obtain optimum control performance, using this controller will help the wind turbines to have positive contribution in damping the network subsynchronous oscillations at different wind speeds and system operating points. In this paper, the application of simple adaptive control in DFIG wind turbine systems to improve the dynamic stability of power systems is studied and the essential condition for using this controller is considered. It is also shown that this controller has an insignificant effect on the dynamic stability of the wind turbine, itself.

Keywords: Almost strictly positive real, doubly-fed induction generator, simple adaptive control, subsynchronous oscillations, wind turbine.

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73 Investigation of the Properties of Epoxy Modified Binders Based on Epoxy Oligomer with Improved Deformation and Strength Properties

Authors: Hlaing Zaw Oo, N. Kostromina, V. Osipchik, T. Kravchenko, K. Yakovleva

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The process of modification of ed-20 epoxy resin synthesized by vinyl-containing compounds is considered. It is shown that the introduction of vinyl-containing compounds into the composition based on epoxy resin ED-20 allows adjusting the technological and operational characteristics of the binder. For improvement of the properties of epoxy resin, following modifiers were selected: polyvinylformalethyl, polyvinyl butyral and composition of linear and aromatic amines (Аramine) as a hardener. Now the big range of hardeners of epoxy resins exists that allows varying technological properties of compositions, and also thermophysical and strength indicators. The nature of the aramin type hardener has a significant impact on the spatial parameters of the mesh, glass transition temperature, and strength characteristics. Epoxy composite materials based on ED-20 modified with polyvinyl butyral were obtained and investigated. It is shown that the composition of resins based on derivatives of polyvinyl butyral and ED-20 allows obtaining composite materials with a higher complex of deformation-strength, adhesion and thermal properties, better water resistance, frost resistance, chemical resistance, and impact strength. The magnitude of the effect depends on the chemical structure, temperature and curing time. In the area of concentrations, where the effect of composite synergy is appearing, the values of strength and stiffness significantly exceed the similar parameters of the individual components of the mixture. The polymer-polymer compositions form their class of materials with diverse specific properties that ensure their competitive application. Coatings with high performance under cyclic loading have been obtained based on epoxy oligomers modified with vinyl-containing compounds.

Keywords: Epoxy resins, modification, vinyl-containing compounds, deformation and strength properties.

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72 An Overview of the Porosity Classification in Carbonate Reservoirs and Their Challenges: An Example of Macro-Microporosity Classification from Offshore Miocene Carbonate in Central Luconia, Malaysia

Authors: Hammad T. Janjuhah, Josep Sanjuan, Mohamed K. Salah

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Biological and chemical activities in carbonates are responsible for the complexity of the pore system. Primary porosity is generally of natural origin while secondary porosity is subject to chemical reactivity through diagenetic processes. To understand the integrated part of hydrocarbon exploration, it is necessary to understand the carbonate pore system. However, the current porosity classification scheme is limited to adequately predict the petrophysical properties of different reservoirs having various origins and depositional environments. Rock classification provides a descriptive method for explaining the lithofacies but makes no significant contribution to the application of porosity and permeability (poro-perm) correlation. The Central Luconia carbonate system (Malaysia) represents a good example of pore complexity (in terms of nature and origin) mainly related to diagenetic processes which have altered the original reservoir. For quantitative analysis, 32 high-resolution images of each thin section were taken using transmitted light microscopy. The quantification of grains, matrix, cement, and macroporosity (pore types) was achieved using a petrographic analysis of thin sections and FESEM images. The point counting technique was used to estimate the amount of macroporosity from thin section, which was then subtracted from the total porosity to derive the microporosity. The quantitative observation of thin sections revealed that the mouldic porosity (macroporosity) is the dominant porosity type present, whereas the microporosity seems to correspond to a sum of 40 to 50% of the total porosity. It has been proven that these Miocene carbonates contain a significant amount of microporosity, which significantly complicates the estimation and production of hydrocarbons. Neglecting its impact can increase uncertainty about estimating hydrocarbon reserves. Due to the diversity of geological parameters, the application of existing porosity classifications does not allow a better understanding of the poro-perm relationship. However, the classification can be improved by including the pore types and pore structures where they can be divided into macro- and microporosity. Such studies of microporosity identification/classification represent now a major concern in limestone reservoirs around the world.

Keywords: Carbonate reservoirs, microporosity, overview of porosity classification, reservoir characterization.

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71 Chatter Stability Characterization of Full-Immersion End-Milling Using a Generalized Modified Map of the Full-Discretization Method, Part 1: Validation of Results and Study of Stability Lobes by Numerical Simulation

Authors: Chigbogu G. Ozoegwu, Sam N. Omenyi

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The objective in this work is to generate and discuss the stability results of fully-immersed end-milling process with parameters; tool mass m=0.0431kg,tool natural frequency ωn = 5700 rads^-1, damping factor ξ=0.002 and workpiece cutting coefficient C=3.5x10^7 Nm^-7/4. Different no of teeth is considered for the end-milling. Both 1-DOF and 2-DOF chatter models of the system are generated on the basis of non-linear force law. Chatter stability analysis is carried out using a modified form (generalized for both 1-DOF and 2-DOF models) of recently developed method called Full-discretization. The full-immersion three tooth end-milling together with higher toothed end-milling processes has secondary Hopf bifurcation lobes (SHBL’s) that exhibit one turning (minimum) point each. Each of such SHBL is demarcated by its minimum point into two portions; (i) the Lower Spindle Speed Portion (LSSP) in which bifurcations occur in the right half portion of the unit circle centred at the origin of the complex plane and (ii) the Higher Spindle Speed Portion (HSSP) in which bifurcations occur in the left half portion of the unit circle. Comments are made regarding why bifurcation lobes should generally get bigger and more visible with increase in spindle speed and why flip bifurcation lobes (FBL’s) could be invisible in the low-speed stability chart but visible in the high-speed stability chart of the fully-immersed three-tooth miller.

Keywords: Chatter, flip bifurcation, modified full-discretization map stability lobe, secondary Hopf bifurcation.

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70 Adoption and Use of an Electronic Voting System in Ghana

Authors: Isaac Kofi Mensah

Abstract:

The manual system of voting has been the most widely used system of electing representatives around the globe, particularly in Africa. Due to the known numerous problems and challenges associated with the manual system of voting, many countries are migrating to the electronic voting system as a suitable and credible means of electing representatives over the manual paper-based system. This research paper therefore investigated the factors influencing adoption and use of an electronic voting system in Ghana. A total of 400 Questionnaire Instruments (QI) were administered to potential respondents in Ghana, of which 387 responded representing a response rate of 96.75%. The Technology Acceptance Model was used as the theoretical framework for the study. The research model was tested using a simple linear regression analysis with SPSS. A little of over 71.1% of the respondents recommended the Electoral Commission (EC) of Ghana to adopt an electronic voting system in the conduct of public elections in Ghana. The results indicated that all the six predictors such as perceived usefulness (PU), perceived ease of use (PEOU), perceived free and fair elections (PFFF), perceived credible elections (PCE), perceived system integrity (PSI) and citizens trust in the election management body (CTEM) were all positively significant in predicting the readiness of citizens to adopt and use an electronic voting system in Ghana. However, jointly, the hypotheses tested revealed that apart from Perceived Free and Fair Elections and Perceived Credible and Transparent Elections, all the other factors such as PU, Perceived System Integrity and Security and Citizen Trust in the Election Management Body were found to be significant predictors of the Willingness of Ghanaians to use an electronic voting system. All the six factors considered in this study jointly account for about 53.1% of the reasons determining the readiness to adopt and use an electronic voting system in Ghana. The implications of this research finding on elections in Ghana are discussed.

Keywords: Credible elections, democracy, Election Management Body (EMB), electronic voting, Ghana, Technology Acceptance Model (TAM).

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69 Auto-Calibration and Optimization of Large-Scale Water Resources Systems

Authors: Arash Parehkar, S. Jamshid Mousavi, Shoubo Bayazidi, Vahid Karami, Laleh Shahidi, Arash Azaranfar, Ali Moridi, M. Shabakhti, Tayebeh Ariyan, Mitra Tofigh, Kaveh Masoumi, Alireza Motahari

Abstract:

Water resource systems modeling has constantly been a challenge through history for human beings. As the innovative methodological development is evolving alongside computer sciences on one hand, researches are likely to confront more complex and larger water resources systems due to new challenges regarding increased water demands, climate change and human interventions, socio-economic concerns, and environment protection and sustainability. In this research, an automatic calibration scheme has been applied on the Gilan’s large-scale water resource model using mathematical programming. The water resource model’s calibration is developed in order to attune unknown water return flows from demand sites in the complex Sefidroud irrigation network and other related areas. The calibration procedure is validated by comparing several gauged river outflows from the system in the past with model results. The calibration results are pleasantly reasonable presenting a rational insight of the system. Subsequently, the unknown optimized parameters were used in a basin-scale linear optimization model with the ability to evaluate the system’s performance against a reduced inflow scenario in future. Results showed an acceptable match between predicted and observed outflows from the system at selected hydrometric stations. Moreover, an efficient operating policy was determined for Sefidroud dam leading to a minimum water shortage in the reduced inflow scenario.

Keywords: Auto-calibration, Gilan, Large-Scale Water Resources, Simulation.

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68 'Performance-Based' Seismic Methodology and Its Application in Seismic Design of Reinforced Concrete Structures

Authors: Jelena R. Pejović, Nina N. Serdar

Abstract:

This paper presents an analysis of the “Performance-Based” seismic design method, in order to overcome the perceived disadvantages and limitations of the existing seismic design approach based on force, in engineering practice. Bearing in mind, the specificity of the earthquake as a load and the fact that the seismic resistance of the structures solely depends on its behaviour in the nonlinear field, traditional seismic design approach based on force and linear analysis is not adequate. “Performance-Based” seismic design method is based on nonlinear analysis and can be used in everyday engineering practice. This paper presents the application of this method to eight-story high reinforced concrete building with combined structural system (reinforced concrete frame structural system in one direction and reinforced concrete ductile wall system in other direction). The nonlinear time-history analysis is performed on the spatial model of the structure using program Perform 3D, where the structure is exposed to forty real earthquake records. For considered building, large number of results were obtained. It was concluded that using this method we could, with a high degree of reliability, evaluate structural behavior under earthquake. It is obtained significant differences in the response of structures to various earthquake records. Also analysis showed that frame structural system had not performed well at the effect of earthquake records on soil like sand and gravel, while a ductile wall system had a satisfactory behavior on different types of soils.

Keywords: Ductile wall, frame system, nonlinear time-history analysis, performance-based methodology, RC building.

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67 Variations of Body Mass Index with Age in Masters Athletes (World Masters Games)

Authors: Walsh Joe, Climstein Mike, Heazlewood Ian Timothy, Burke Stephen, Kettunen Jyrki, Adams Kent, DeBeliso Mark

Abstract:

Whilst there is growing evidence that activity across the lifespan is beneficial for improved health, there are also many changes involved with the aging process and subsequently the potential for reduced indices of health. The nexus between health, physical activity and aging is complex and has raised much interest in recent times due to the realization that a multifaceted approached is necessary in order to counteract a growing obesity epidemic. By investigating age based trends within a population adhering to competitive sport at older ages, further insight might be gleaned to assist in understanding one of many factors influencing this relationship. BMI was derived using data gathered on a total of 6,071 masters athletes (51.9% male, 48.1% female) aged 25 to 91 years ( =51.5, s =±9.7), competing at the Sydney World Masters Games (2009). Using linear and loess regression it was demonstrated that the usual tendency for prevalence of higher BMI increasing with age was reversed in the sample. This trend in reversal was repeated for both male and female only sub-sets of the sample participants, indicating the possibility of improved prevalence of BMI with increasing age for both the sample as a whole and these individual subgroups. This evidence of improved classification in one index of health (reduced BMI) for masters athletes (when compared to the general population) implies there are either improved levels of this index of health with aging due to adherence to sport or possibly the reduced BMI is advantageous and contributes to this cohort adhering (or being attracted) to masters sport at older ages. Demonstration of this proportionately under-investigated World Masters Games population having an improved relationship between BMI and increasing age over the general population is of particular interest in the context of the measures being taken globally to curb an obesity epidemic.

Keywords: Aging, masters athlete, Quetelet Index, sport.

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66 Seismic Protection of Automated Stocker System by Customized Viscous Fluid Dampers

Authors: Y. P. Wang, J. K. Chen, C. H. Lee, G. H. Huang, M. C. Wang, S. W. Chen, Y. T. Kuan, H. C. Lin, C. Y. Huang, W. H. Liang, W. C. Lin, H. C. Yu

Abstract:

The hi-tech industries in the Science Park at southern Taiwan were heavily damaged by a strong earthquake early 2016. The financial loss in this event was attributed primarily to the automated stocker system handling fully processed products, and recovery of the automated stocker system from the aftermath proved to contribute major lead time. Therefore, development of effective means for protection of stockers against earthquakes has become the highest priority for risk minimization and business continuity. This study proposes to mitigate the seismic response of the stockers by introducing viscous fluid dampers in between the ceiling and the top of the stockers. The stocker is expected to vibrate less violently with a passive control force on top. Linear damper is considered in this application with an optimal damping coefficient determined from a preliminary parametric study. The damper is small in size in comparison with those adopted for building or bridge applications. Component test of the dampers has been carried out to make sure they meet the design requirement. Shake table tests have been further conducted to verify the proposed scheme under realistic earthquake conditions. Encouraging results have been achieved by effectively reducing the seismic responses of up to 60% and preventing the FOUPs from falling off the shelves that would otherwise be the case if left unprotected. Effectiveness of adopting a viscous fluid damper for seismic control of the stocker on top against the ceiling has been confirmed. This technique has been adopted by Macronix International Co., LTD for seismic retrofit of existing stockers. Demonstrative projects on the application of the proposed technique are planned underway for other companies in the display industry as well.

Keywords: Hi-tech industries, seismic protection, automated stocker system, viscous fluid damper.

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65 Individual Differences and Paired Learning in Virtual Environments

Authors: Patricia M. Boechler, Heather M. Gautreau

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In this research study, postsecondary students completed an information learning task in an avatar-based 3D virtual learning environment. Three factors were of interest in relation to learning; 1) the influence of collaborative vs. independent conditions, 2) the influence of the spatial arrangement of the virtual environment (linear, random and clustered), and 3) the relationship of individual differences such as spatial skill, general computer experience and video game experience to learning. Students completed pretest measures of prior computer experience and prior spatial skill. Following the premeasure administration, students were given instruction to move through the virtual environment and study all the material within 10 information stations. In the collaborative condition, students proceeded in randomly assigned pairs, while in the independent condition they proceeded alone. After this learning phase, all students individually completed a multiple choice test to determine information retention. The overall results indicated that students in pairs did not perform any better or worse than independent students. As far as individual differences, only spatial ability predicted the performance of students. General computer experience and video game experience did not. Taking a closer look at the pairs and spatial ability, comparisons were made on pairs high/matched spatial ability, pairs low/matched spatial ability and pairs that were mismatched on spatial ability. The results showed that both high/matched pairs and mismatched pairs outperformed low/matched pairs. That is, if a pair had even one individual with strong spatial ability they would perform better than pairs with only low spatial ability individuals. This suggests that, in virtual environments, the specific individuals that are paired together are important for performance outcomes. The paper also includes a discussion of trends within the data that have implications for virtual environment education.

Keywords: Avatar-based, virtual environment, paired learning, individual differences.

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64 Screening of Antagonistic/Synergistic Effect between Lactic Acid Bacteria (LAB) and Yeast Strains Isolated from Kefir

Authors: Mihriban Korukluoglu, Goksen Arik, Cagla Erdogan, Selen Kocakoglu

Abstract:

Kefir is a traditional fermented refreshing beverage which is known for its valuable and beneficial properties for human health. Mainly yeast species, lactic acid bacteria (LAB) strains and fewer acetic acid bacteria strains live together in a natural matrix named “kefir grain”, which is formed from various proteins and polysaccharides. Different microbial species live together in slimy kefir grain and it has been thought that synergetic effect could take place between microorganisms, which belong to different genera and species. In this research, yeast and LAB were isolated from kefir samples obtained from Uludag University Food Engineering Department. The cell morphology of isolates was screened by microscopic examination. Gram reactions of bacteria isolates were determined by Gram staining method, and as well catalase activity was examined. After observing the microscopic/morphological and physical, enzymatic properties of all isolates, they were divided into the groups as LAB and/or yeast according to their physicochemical responses to the applied examinations. As part of this research, the antagonistic/synergistic efficacy of the identified five LAB and five yeast strains to each other were determined individually by disk diffusion method. The antagonistic or synergistic effect is one of the most important properties in a co-culture system that different microorganisms are living together. The synergistic effect should be promoted, whereas the antagonistic effect is prevented to provide effective culture for fermentation of kefir. The aim of this study was to determine microbial interactions between identified yeast and LAB strains, and whether their effect is antagonistic or synergistic. Thus, if there is a strain which inhibits or retards the growth of other strains found in Kefir microflora, this circumstance shows the presence of antagonistic effect in the medium. Such negative influence should be prevented, whereas the microorganisms which have synergistic effect on each other should be promoted by combining them in kefir grain. Standardisation is the most desired property for industrial production. Each microorganism found in the microbial flora of a kefir grain should be identified individually. The members of the microbial community found in the glue-like kefir grain may be redesigned as a starter culture regarding efficacy of each microorganism to another in kefir processing. The main aim of this research was to shed light on more effective production of kefir grain and to contribute a standardisation of kefir processing in the food industry.

Keywords: Antagonistic effect, kefir, lactic acid bacteria (LAB), synergistic, yeast.

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63 dynr.mi: An R Program for Multiple Imputation in Dynamic Modeling

Authors: Yanling Li, Linying Ji, Zita Oravecz, Timothy R. Brick, Michael D. Hunter, Sy-Miin Chow

Abstract:

Assessing several individuals intensively over time yields intensive longitudinal data (ILD). Even though ILD provide rich information, they also bring other data analytic challenges. One of these is the increased occurrence of missingness with increased study length, possibly under non-ignorable missingness scenarios. Multiple imputation (MI) handles missing data by creating several imputed data sets, and pooling the estimation results across imputed data sets to yield final estimates for inferential purposes. In this article, we introduce dynr.mi(), a function in the R package, Dynamic Modeling in R (dynr). The package dynr provides a suite of fast and accessible functions for estimating and visualizing the results from fitting linear and nonlinear dynamic systems models in discrete as well as continuous time. By integrating the estimation functions in dynr and the MI procedures available from the R package, Multivariate Imputation by Chained Equations (MICE), the dynr.mi() routine is designed to handle possibly non-ignorable missingness in the dependent variables and/or covariates in a user-specified dynamic systems model via MI, with convergence diagnostic check. We utilized dynr.mi() to examine, in the context of a vector autoregressive model, the relationships among individuals’ ambulatory physiological measures, and self-report affect valence and arousal. The results from MI were compared to those from listwise deletion of entries with missingness in the covariates. When we determined the number of iterations based on the convergence diagnostics available from dynr.mi(), differences in the statistical significance of the covariate parameters were observed between the listwise deletion and MI approaches. These results underscore the importance of considering diagnostic information in the implementation of MI procedures.

Keywords: Dynamic modeling, missing data, multiple imputation, physiological measures.

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62 Examination of Self-Efficacy and Life Satisfaction Levels of Students Receiving Education in Schools of Physical Education and Sports

Authors: Hasan Şahan, Murat Tekin, Mustafa Yıldız, Meriç Eraslan, Mevlüt Yıldız, Hatice Sim, Demet Neriman Yarar

Abstract:

The purpose of this study is to examine the selfefficacy and life satisfaction levels of students receiving education in schools of physical education and sports. The population of the study consisted 263 students, among which 154 were male and 109 were female ( X age=19,4905 + 2,5605), that received education in the schools of physical education and sports of Selcuk University, Inonu University, Gazi University and Karamanoglu Mehmetbey University. In order to achieve the purpose of the study, the selfefficacy scale, which was developed by Jarrusselam and Shwarzer (1981) [1] and adapted to Turkish by Yesillay (1993) [2], and the life satisfaction scale, developed by Diener, Emmos, Larsen and Griffin (1985) [3] and adapted to Turkish by Kokler (1991) [4], were utilized.For analyzing and interpreting data Kolmogorov-Smirnov test, t-test and one way anova test were used, while for determining the difference between the groups Tukey test and Multiple Linear Regression test were employed and significance was accepted at P<0,05. SPSS (Statistical package for social sciences) package software was used for evaluating the data and finding out the calculated values.In conclusion of this study, it was determined that female students have higher life satisfaction levels than male students, while students attending to the second grade had higher life satisfaction levels than fourth grade students. On the other hand, general self-efficacy levels of male students were found out to be higher than that of female students. It was also determined that students attending to the fourth grade had higher general self-efficacy levels than those receiving education in the first grade. Availability of a significant relation was determined between life satisfaction levels and self-efficacy levels.

Keywords: Physical Education And Sports, Student, Life Satisfaction, Self-Efficacy

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61 The Effects of Placement and Cross-Section Shape of Shear Walls in Multi-Story RC Buildings with Plan Irregularity on Their Seismic Behavior by Using Nonlinear Time History Analyses

Authors: Mohammad Aminnia, Mahmood Hosseini

Abstract:

Environmental and functional conditions, sometimes, necessitate the architectural plan of the building to be asymmetric, and this result in an asymmetric structure. In such cases finding an optimal pattern for locating the components of lateral load bearing system, including shear walls, in the building’s plan is desired. In case of shear wall in addition to the location the shape of the wall cross-section is also an effective factor. Various types of shear walls and their proper layout might come effective in better stiffness distribution and more appropriate seismic response of the building. Several studies have been conducted in the context of analysis and design of shear walls; however, few studies have been performed on making decisions for the location and form of shear walls in multistory buildings, especially those with irregular plan. In this study, an attempt has been made to obtain the most reliable seismic behavior of multi-story reinforced concrete vertically chamfered buildings by using more appropriate shear walls form and arrangement in 7-, 10-, 12-, and 15-stoy buildings. The considered forms and arrangements include common rectangular walls and L-, T-, U- and Z-shaped plan, located as the core or in the outer frames of the building structure. Comparison of seismic behaviors of the buildings, including maximum roof displacement and particularly formation of plastic hinges and their distribution in the buildings’ structures, have been done based on the results of a series of nonlinear time history analyses, by using a set of selected earthquake records. Results show that shear walls with U-shaped cross-section, placed as the building central core, and also walls with Z-shaped cross-section, placed at the corners give the building more reliable seismic behavior.

Keywords: Vertically chamfered buildings, non-linear time history analyses, L-, T-, U- and Z-shaped plan walls.

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60 The Association between Affective States and Sexual/Health-Related Status among Men Who Have Sex with Men in China: An Exploration Study Using Social Media Data

Authors: Zhi-Wei Zheng, Zhong-Qi Liu, Jia-Ling Qiu, Shan-Qing Guo, Zhong-Wei Jia, Chun Hao

Abstract:

Objectives: The purpose of this study was to understand and examine the association between diurnal mood variation and sexual/health-related status among men who have sex with men (MSM) using data from MSM Chinese Twitter messages. The study consists of 843,745 postings of 377,610 MSM users located in Guangdong that were culled from the MSM Chinese Twitter App. Positive affect, negative affect, sexual related behaviors, and health-related status were measured using the Simplified Chinese Linguistic Inquiry and Word Count. Emotions, including joy, sadness, anger, fear, and disgust were measured using the Weibo Basic Mood Lexicon. A positive sentiment score and a positive emotions score were also calculated. Linear regression models based on a permutation test were used to assess associations between affective states and sexual/health-related status. In the results, 5,871 active MSM users and their 477,374 postings were finally selected. MSM expressed positive affect and joy at 8 a.m. and expressed negative affect and negative emotions between 2 a.m. and 4 a.m. In addition, 25.1% of negative postings were directly related to health and 13.4% reported seeking social support during that sensitive period. MSM who were senior, educated, overweight or obese, self-identified as performing a versatile sex role, and with less followers, more followers, and less chat groups mainly expressed more negative affect and negative emotions. MSM who talked more about sexual-related behaviors had a higher positive sentiment score (β=0.29, p < 0.001) and a higher positive emotions score (β = 0.16, p < 0.001). MSM who reported more on their health status had a lower positive sentiment score (β = -0.83, p < 0.001) and a lower positive emotions score (β = -0.37, p < 0.001). The study concluded that psychological intervention based on an app for MSM should be conducted, as it may improve mental health.

Keywords: Affect, men who have sex with men, sexual-related behaviors, health-related status, social media.

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59 Associations among Fetuin A, Cortisol and Thyroid Hormones in Children with Morbid Obesity and Metabolic Syndrome

Authors: Mustafa M. Donma, Orkide Donma

Abstract:

Obesity is a disease with an ever-increasing prevalence throughout the world. The metabolic network associated with obesity is very complicated. In metabolic syndrome (MetS), it becomes even more difficult to understand. Within this context, hormones, cytokines, and many others participate in this complex matrix. The collaboration among all of these parameters is a matter of great wonder. Cortisol, as a stress hormone, is closely associated with obesity. Thyroid hormones are involved in the regulation of energy as well as glucose metabolism with all of its associates. Fetuin A has been known for years; however, the involvement of this parameter in obesity discussions is rather new. Recently, it has been defined as one of the new generation markers of obesity. In this study, the aim was to introduce complex interactions among all to be able to make clear comparisons, at least for a part of this complicated matter. Morbid obese (MO) children participated in the study. Two groups with 46 MO children and 43 with MetS were constituted. All children included in the study were above 99th age- and sex-adjusted body mass index (BMI) percentiles according to World Health Organization criteria. Forty-three morbid obese children in the second group also had MetS components. Informed consent forms were filled by the parents of the participants. The institutional ethics committee has given approval for the study protocol. Data as well as the findings of the study were evaluated from a statistical point of view. Two groups were matched for their age and gender compositions. Significantly higher body mass index (BMI), waist circumference, thyrotropin, and insulin values were observed in the MetS group. Triiodothyronine concentrations did not differ between the groups. Elevated levels for thyroxin, cortisol, and fetuin-A were detected in the MetS group compared to the first group (p > 0.05). In MO MetS- group, cortisol was correlated with thyroxin and fetuin-A (p < 0.05). In the MO MetS+ group, none of these correlations were present. Instead, a correlation between cortisol and thyrotropin was found (p < 0.05). In conclusion, findings have shown that cortisol was the key player in severely obese children. The association of this hormone with the participants of thyroid hormone metabolism was quite important. The lack of association with fetuin A in the morbid obese MetS+ group has suggested the possible interference of MetS components in the behavior of this new generation obesity marker. The most remarkable finding of the study was the unique correlation between cortisol and thyrotropin in the morbid obese MetS+ group, suggesting that thyrotropin may serve as a target along with cortisol in the morbid obese MetS+ group. This association may deserve specific attention during the development of remedies against MetS in the pediatric population.

Keywords: children, cortisol, fetuin A, morbid obesity, thyrotropin

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58 Critical Assessment of Scoring Schemes for Protein-Protein Docking Predictions

Authors: Dhananjay C. Joshi, Jung-Hsin Lin

Abstract:

Protein-protein interactions (PPI) play a crucial role in many biological processes such as cell signalling, transcription, translation, replication, signal transduction, and drug targeting, etc. Structural information about protein-protein interaction is essential for understanding the molecular mechanisms of these processes. Structures of protein-protein complexes are still difficult to obtain by biophysical methods such as NMR and X-ray crystallography, and therefore protein-protein docking computation is considered an important approach for understanding protein-protein interactions. However, reliable prediction of the protein-protein complexes is still under way. In the past decades, several grid-based docking algorithms based on the Katchalski-Katzir scoring scheme were developed, e.g., FTDock, ZDOCK, HADDOCK, RosettaDock, HEX, etc. However, the success rate of protein-protein docking prediction is still far from ideal. In this work, we first propose a more practical measure for evaluating the success of protein-protein docking predictions,the rate of first success (RFS), which is similar to the concept of mean first passage time (MFPT). Accordingly, we have assessed the ZDOCK bound and unbound benchmarks 2.0 and 3.0. We also createda new benchmark set for protein-protein docking predictions, in which the complexes have experimentally determined binding affinity data. We performed free energy calculation based on the solution of non-linear Poisson-Boltzmann equation (nlPBE) to improve the binding mode prediction. We used the well-studied thebarnase-barstarsystem to validate the parameters for free energy calculations. Besides,thenlPBE-based free energy calculations were conducted for the badly predicted cases by ZDOCK and ZRANK. We found that direct molecular mechanics energetics cannot be used to discriminate the native binding pose from the decoys.Our results indicate that nlPBE-based calculations appeared to be one of the promising approaches for improving the success rate of binding pose predictions.

Keywords: protein-protein docking, protein-protein interaction, molecular mechanics energetics, Poisson-Boltzmann calculations

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