Search results for: collapse mechanisms
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 643

Search results for: collapse mechanisms

73 Wetting Characterization of High Aspect Ratio Nanostructures by Gigahertz Acoustic Reflectometry

Authors: C. Virgilio, J. Carlier, P. Campistron, M. Toubal, P. Garnier, L. Broussous, V. Thomy, B. Nongaillard

Abstract:

Wetting efficiency of microstructures or nanostructures patterned on Si wafers is a real challenge in integrated circuits manufacturing. In fact, bad or non-uniform wetting during wet processes limits chemical reactions and can lead to non-complete etching or cleaning inside the patterns and device defectivity. This issue is more and more important with the transistors size shrinkage and concerns mainly high aspect ratio structures. Deep Trench Isolation (DTI) structures enabling pixels’ isolation in imaging devices are subject to this phenomenon. While low-frequency acoustic reflectometry principle is a well-known method for Non Destructive Test applications, we have recently shown that it is also well suited for nanostructures wetting characterization in a higher frequency range. In this paper, we present a high-frequency acoustic reflectometry characterization of DTI wetting through a confrontation of both experimental and modeling results. The acoustic method proposed is based on the evaluation of the reflection of a longitudinal acoustic wave generated by a 100 µm diameter ZnO piezoelectric transducer sputtered on the silicon wafer backside using MEMS technologies. The transducers have been fabricated to work at 5 GHz corresponding to a wavelength of 1.7 µm in silicon. The DTI studied structures, manufactured on the wafer frontside, are crossing trenches of 200 nm wide and 4 µm deep (aspect ratio of 20) etched into a Si wafer frontside. In that case, the acoustic signal reflection occurs at the bottom and at the top of the DTI enabling its characterization by monitoring the electrical reflection coefficient of the transducer. A Finite Difference Time Domain (FDTD) model has been developed to predict the behavior of the emitted wave. The model shows that the separation of the reflected echoes (top and bottom of the DTI) from different acoustic modes is possible at 5 Ghz. A good correspondence between experimental and theoretical signals is observed. The model enables the identification of the different acoustic modes. The evaluation of DTI wetting is then performed by focusing on the first reflected echo obtained through the reflection at Si bottom interface, where wetting efficiency is crucial. The reflection coefficient is measured with different water / ethanol mixtures (tunable surface tension) deposited on the wafer frontside. Two cases are studied: with and without PFTS hydrophobic treatment. In the untreated surface case, acoustic reflection coefficient values with water show that liquid imbibition is partial. In the treated surface case, the acoustic reflection is total with water (no liquid in DTI). The impalement of the liquid occurs for a specific surface tension but it is still partial for pure ethanol. DTI bottom shape and local pattern collapse of the trenches can explain these incomplete wetting phenomena. This high-frequency acoustic method sensitivity coupled with a FDTD propagative model thus enables the local determination of the wetting state of a liquid on real structures. Partial wetting states for non-hydrophobic surfaces or low surface tension liquids are then detectable with this method.

Keywords: Wetting, acoustic reflectometry, gigahertz, semiconductor.

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72 Error Detection and Correction for Onboard Satellite Computers Using Hamming Code

Authors: Rafsan Al Mamun, Md. Motaharul Islam, Rabana Tajrin, Nabiha Noor, Shafinaz Qader

Abstract:

In an attempt to enrich the lives of billions of people by providing proper information, security and a way of communicating with others, the need for efficient and improved satellites is constantly growing. Thus, there is an increasing demand for better error detection and correction (EDAC) schemes, which are capable of protecting the data onboard the satellites. The paper is aimed towards detecting and correcting such errors using a special algorithm called the Hamming Code, which uses the concept of parity and parity bits to prevent single-bit errors onboard a satellite in Low Earth Orbit. This paper focuses on the study of Low Earth Orbit satellites and the process of generating the Hamming Code matrix to be used for EDAC using computer programs. The most effective version of Hamming Code generated was the Hamming (16, 11, 4) version using MATLAB, and the paper compares this particular scheme with other EDAC mechanisms, including other versions of Hamming Codes and Cyclic Redundancy Check (CRC), and the limitations of this scheme. This particular version of the Hamming Code guarantees single-bit error corrections as well as double-bit error detections. Furthermore, this version of Hamming Code has proved to be fast with a checking time of 5.669 nanoseconds, that has a relatively higher code rate and lower bit overhead compared to the other versions and can detect a greater percentage of errors per length of code than other EDAC schemes with similar capabilities. In conclusion, with the proper implementation of the system, it is quite possible to ensure a relatively uncorrupted satellite storage system.

Keywords: Bit-flips, Hamming code, low earth orbit, parity bits, satellite, single error upset.

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71 Cyclic Behaviour of Wide Beam-Column Joints with Shear Strength Ratios of 1.0 and 1.7

Authors: Roy Y. C. Huang, J. S. Kuang, Hamdolah Behnam

Abstract:

Beam-column connections play an important role in the reinforced concrete moment resisting frame (RCMRF), which is one of the most commonly used structural systems around the world. The premature failure of such connections would severely limit the seismic performance and increase the vulnerability of RCMRF. In the past decades, researchers primarily focused on investigating the structural behaviour and failure mechanisms of conventional beam-column joints, the beam width of which is either smaller than or equal to the column width, while studies in wide beam-column joints were scarce. This paper presents the preliminary experimental results of two full-scale exterior wide beam-column connections, which are mainly designed and detailed according to ACI 318-14 and ACI 352R-02, under reversed cyclic loading. The ratios of the design shear force to the nominal shear strength of these specimens are 1.0 and 1.7, respectively, so as to probe into differences of the joint shear strength between experimental results and predictions by design codes of practice. Flexural failure dominated in the specimen with ratio of 1.0 in which full-width plastic hinges were observed, while both beam hinges and post-peak joint shear failure occurred for the other specimen. No sign of premature joint shear failure was found which is inconsistent with ACI codes’ prediction. Finally, a modification of current codes of practice is provided to accurately predict the joint shear strength in wide beam-column joint.

Keywords: Joint shear strength, reversed cyclic loading, seismic codes, wide beam-column joints.

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70 Markov Random Field-Based Segmentation Algorithm for Detection of Land Cover Changes Using Uninhabited Aerial Vehicle Synthetic Aperture Radar Polarimetric Images

Authors: Mehrnoosh Omati, Mahmod Reza Sahebi

Abstract:

The information on land use/land cover changing plays an essential role for environmental assessment, planning and management in regional development. Remotely sensed imagery is widely used for providing information in many change detection applications. Polarimetric Synthetic aperture radar (PolSAR) image, with the discrimination capability between different scattering mechanisms, is a powerful tool for environmental monitoring applications. This paper proposes a new boundary-based segmentation algorithm as a fundamental step for land cover change detection. In this method, first, two PolSAR images are segmented using integration of marker-controlled watershed algorithm and coupled Markov random field (MRF). Then, object-based classification is performed to determine changed/no changed image objects. Compared with pixel-based support vector machine (SVM) classifier, this novel segmentation algorithm significantly reduces the speckle effect in PolSAR images and improves the accuracy of binary classification in object-based level. The experimental results on Uninhabited Aerial Vehicle Synthetic Aperture Radar (UAVSAR) polarimetric images show a 3% and 6% improvement in overall accuracy and kappa coefficient, respectively. Also, the proposed method can correctly distinguish homogeneous image parcels.

Keywords: Coupled Markov random field, environment, object-based analysis, Polarimetric SAR images.

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69 The Effect of CPU Location in Total Immersion of Microelectronics

Authors: A. Almaneea, N. Kapur, J. L. Summers, H. M. Thompson

Abstract:

Meeting the growth in demand for digital services such as social media, telecommunications, and business and cloud services requires large scale data centres, which has led to an increase in their end use energy demand. Generally, over 30% of data centre power is consumed by the necessary cooling overhead. Thus energy can be reduced by improving the cooling efficiency. Air and liquid can both be used as cooling media for the data centre. Traditional data centre cooling systems use air, however liquid is recognised as a promising method that can handle the more densely packed data centres. Liquid cooling can be classified into three methods; rack heat exchanger, on-chip heat exchanger and full immersion of the microelectronics. This study quantifies the improvements of heat transfer specifically for the case of immersed microelectronics by varying the CPU and heat sink location. Immersion of the server is achieved by filling the gap between the microelectronics and a water jacket with a dielectric liquid which convects the heat from the CPU to the water jacket on the opposite side. Heat transfer is governed by two physical mechanisms, which is natural convection for the fixed enclosure filled with dielectric liquid and forced convection for the water that is pumped through the water jacket. The model in this study is validated with published numerical and experimental work and shows good agreement with previous work. The results show that the heat transfer performance and Nusselt number (Nu) is improved by 89% by placing the CPU and heat sink on the bottom of the microelectronics enclosure.

Keywords: CPU location, data centre cooling, heat sink in enclosures, Immersed microelectronics, turbulent natural convection in enclosures.

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68 Surfactant Stabilized Nanoemulsion: Characterization and Application in Enhanced Oil Recovery

Authors: Ajay Mandal, Achinta Bera

Abstract:

Nanoemulsions are a class of emulsions with a droplet size in the range of 50–500 nm and have attracted a great deal of attention in recent years because it is unique characteristics. The physicochemical properties of nanoemulsion suggests that it can be successfully used to recover the residual oil which is trapped in the fine pore of reservoir rock by capillary forces after primary and secondary recovery. Oil-in-water nanoemulsion which can be formed by high-energy emulsification techniques using specific surfactants can reduce oil-water interfacial tension (IFT) by 3-4 orders of magnitude. The present work is aimed on characterization of oil-inwater nanoemulsion in terms of its phase behavior, morphological studies; interfacial energy; ability to reduce the interfacial tension and understanding the mechanisms of mobilization and displacement of entrapped oil blobs by lowering interfacial tension both at the macroscopic and microscopic level. In order to investigate the efficiency of oil-water nanoemulsion in enhanced oil recovery (EOR), experiments were performed to characterize the emulsion in terms of their physicochemical properties and size distribution of the dispersed oil droplet in water phase. Synthetic mineral oil and a series of surfactants were used to prepare oil-in-water emulsions. Characterization of emulsion shows that it follows pseudo-plastic behaviour and drop size of dispersed oil phase follows lognormal distribution. Flooding experiments were also carried out in a sandpack system to evaluate the effectiveness of the nanoemulsion as displacing fluid for enhanced oil recovery. Substantial additional recoveries (more than 25% of original oil in place) over conventional water flooding were obtained in the present investigation.

Keywords: Nanoemulsion, Characterization, Enhanced Oil Recovery, Particle Size Distribution

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67 Integrated Approaches to Enhance Aggregate Production Planning with Inventory Uncertainty Based On Improved Harmony Search Algorithm

Authors: P. Luangpaiboon, P. Aungkulanon

Abstract:

This work presents a multiple objective linear programming (MOLP) model based on the desirability function approach for solving the aggregate production planning (APP) decision problem upon Masud and Hwang-s model. The proposed model minimises total production costs, carrying or backordering costs and rates of change in labor levels. An industrial case demonstrates the feasibility of applying the proposed model to the APP problems with three scenarios of inventory levels. The proposed model yields an efficient compromise solution and the overall levels of DM satisfaction with the multiple combined response levels. There has been a trend to solve complex planning problems using various metaheuristics. Therefore, in this paper, the multi-objective APP problem is solved by hybrid metaheuristics of the hunting search (HuSIHSA) and firefly (FAIHSA) mechanisms on the improved harmony search algorithm. Results obtained from the solution of are then compared. It is observed that the FAIHSA can be used as a successful alternative solution mechanism for solving APP problems over three scenarios. Furthermore, the FAIHSA provides a systematic framework for facilitating the decision-making process, enabling a decision maker interactively to modify the desirability function approach and related model parameters until a good optimal solution is obtained with proper selection of control parameters when compared.

Keywords: Aggregate Production Planning, Desirability Function Approach, Improved Harmony Search Algorithm, Hunting Search Algorithm and Firefly Algorithm.

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66 Parameter Optimization and Thermal Simulation in Laser Joining of Coach Peel Panels of Dissimilar Materials

Authors: Masoud Mohammadpour, Blair Carlson, Radovan Kovacevic

Abstract:

The quality of laser welded-brazed (LWB) joints were strongly dependent on the main process parameters, therefore the effect of laser power (3.2–4 kW), welding speed (60–80 mm/s) and wire feed rate (70–90 mm/s) on mechanical strength and surface roughness were investigated in this study. The comprehensive optimization process by means of response surface methodology (RSM) and desirability function was used for multi-criteria optimization. The experiments were planned based on Box– Behnken design implementing linear and quadratic polynomial equations for predicting the desired output properties. Finally, validation experiments were conducted on an optimized process condition which exhibited good agreement between the predicted and experimental results. AlSi3Mn1 was selected as the filler material for joining aluminum alloy 6022 and hot-dip galvanized steel in coach peel configuration. The high scanning speed could control the thickness of IMC as thin as 5 µm. The thermal simulations of joining process were conducted by the Finite Element Method (FEM), and results were validated through experimental data. The Fe/Al interfacial thermal history evidenced that the duration of critical temperature range (700–900 °C) in this high scanning speed process was less than 1 s. This short interaction time leads to the formation of reaction-control IMC layer instead of diffusion-control mechanisms.

Keywords: Laser welding-brazing, finite element, response surface methodology, multi-response optimization, cross-beam laser.

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65 The Micro Ecosystem Restoration Mechanism Applied for Feasible Research of Lakes Eutrophication Enhancement

Authors: Ching-Tsan Tsai, Sih-Rong Chen, Chi-Hung Hsieh

Abstract:

The technique of inducing micro ecosystem restoration is one of aquatic ecology engineering methods used to retrieve the polluted water. Batch scale study, pilot plant study, and field study were carried out to observe the eutrophication using the Inducing Ecology Restorative Symbiosis Agent (IERSA) consisting mainly degraded products by using lactobacillus, saccharomycete, and phycomycete. The results obtained from the experiments of the batch scale and pilot plant study allowed us to development the parameters for the field study. A pond, 5 m to the outlet of a lake, with an area of 500 m2 and depth of 0.6-1.2 m containing about 500 tons of water was selected as a model. After the treatment with 10 mg IERSA/L water twice a week for 70 days, the micro restoration mechanisms consisted of three stages (i.e., restoration, impact maintenance, and ecology recovery experiment after impact). The COD, TN, TKN, and chlorophyll a were reduced significantly in the first week. Although the unexpected heavy rain and contaminate from sewage system might slow the ecology restoration. However, the self-cleaning function continued and the chlorophyll a reduced for 50% in one month. In the 4th week, amoeba, paramecium, rotifer, and red wriggle worm reappeared, and the number of fish flies appeared up to1000 fish fries/m3. Those results proved that inducing restorative mechanism can be applied to improve the eutrophication and to control the growth of algae in the lakes by gaining the selfcleaning through inducing and competition of microbes. The situation for growth of fishes also can reach an excellent result due to the improvement of water quality.

Keywords: Ecosystem restoration, eutrophication, lake.

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64 Computational Investigation of Secondary Flow Losses in Linear Turbine Cascade by Modified Leading Edge Fence

Authors: K. N. Kiran, S. Anish

Abstract:

It is well known that secondary flow loses account about one third of the total loss in any axial turbine. Modern gas turbine height is smaller and have longer chord length, which might lead to increase in secondary flow. In order to improve the efficiency of the turbine, it is important to understand the behavior of secondary flow and device mechanisms to curtail these losses. The objective of the present work is to understand the effect of a stream wise end-wall fence on the aerodynamics of a linear turbine cascade. The study is carried out computationally by using commercial software ANSYS CFX. The effect of end-wall on the flow field are calculated based on RANS simulation by using SST transition turbulence model. Durham cascade which is similar to high-pressure axial flow turbine for simulation is used. The aim of fencing in blade passage is to get the maximum benefit from flow deviation and destroying the passage vortex in terms of loss reduction. It is observed that, for the present analysis, fence in the blade passage helps reducing the strength of horseshoe vortex and is capable of restraining the flow along the blade passage. Fence in the blade passage helps in reducing the under turning by 70 in comparison with base case. Fence on end-wall is effective in preventing the movement of pressure side leg of horseshoe vortex and helps in breaking the passage vortex. Computations are carried for different fence height whose curvature is different from the blade camber. The optimum fence geometry and location reduces the loss coefficient by 15.6% in comparison with base case.

Keywords: Boundary layer fence, horseshoe vortex, linear cascade, passage vortex, secondary flow.

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63 In vivo Iron Availability and Profile Lipid Composition in Anemic Rats Fed on Diets with Black Rice Bran Extract

Authors: E. P. Nurlaili, M. Astuti, Y. Marsono, S. Naruki

Abstract:

Iron is an essential nutrient with limited bioavailability. Nutritional anemia caused mainly by iron deficiency is the most recognized nutritional problem in both countries as well as affluent societies. Rice (Oryza sativa L.) has become the most important cereal crop for the improvement of human health due to the starch, protein, oil, and the majority of micronutrients, particularly in Asian countries. In this study, the iron availability and profile lipid were evaluated for the extracts from Cibeusi varieties (black rices) of ancient rice brans. Results: The quality of K, B, R, E diets groups shows the same effect on the growth of rats. Hematocrit and MCHC levels of rats fed K, B, R and E diets were not significantly (P<0.05). MCV and MCH levels of rats K, B, R were significantly (P<0.05) with E groups but rats K, B, R were not significantly (P<0.05). The iron content in the serum of rats fed with K, B, R and E diets were not significantly (P<0.05). The highest level of iron in the serum was founded in the B group. The iron content in the liver of rats fed with K, B, R and E diets were not significantly (P<0.05). The highest level of iron in the liver was founded in the R group. HDL cholesterol levels were significantly (P<0.05) between rats of fed B, E with K, R, but K and R were not significantly (P<0.05). LDL cholesterol levels of rats fed K and E significantly (P<0.05) with B and R. Conclusions: the bran of pigmented rice varieties has, with some exceptions, greater antioxidant and free-radical scavenging activities. The results also show that pigmented rice extracts acted as prooxidants in the lipid peroxidation assay, possibly by mechanisms described for the pro-oxidant activities of tocopherol and ascorbic. Pigmented rice bran extracts more effectively increases iron stores and reduces the prevalence of iron deficiency.

Keywords: Anemia, black rice bran extract, iron, profile lipid.

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62 Addressing Global Trauma: Somatic Interventions in PTSD Treatment and Clinician Burnout Prevention

Authors: Nina Kaufmans

Abstract:

Traditional treatments for post-traumatic stress disorder (PTSD) that rely primarily on oral narratives are partially insufficient to prevent PTSD symptoms from recurrence. As a result of the global COVID-19 pandemic, war conflicts, and economic crises, a rising proportion of users of mental health services express somatically based distress in addition to their existing mental health symptoms. Furthermore, the rapid increase in demand for mental health services has resulted in substantial burnout among mental health professionals, which may further impact the quality of services provided and the sustainability of professional life-work balance. This article examines the implications of current developments and challenges in mental health services demand and subsequent responses, as well as the effects of those responses on mental health professionals. The article examines the neurobiological mechanisms underlying traumatic experiences, then discusses the premises for "bottom-up," or somatically oriented, psychotherapy approaches, and concludes with suggestions for clinical skills and interventions to be used by practitioners who work with clients diagnosed with PTSD. In addition, we examine how somatically based psychotherapy interventions performed in sessions might reduce clinician burnout and improve their well-being. We examine how incorporating somatically based therapies into counseling will boost the efficacy of mental health recovery and maintain remission while providing mental health practitioners with chances for self-care.

Keywords: Somatic psychotherapy interventions, trauma counseling, preventing and treating burnout, adults with PTSD, bottom-up skills, the effectiveness of trauma treatment.

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61 Uncertainty Multiple Criteria Decision Making Analysis for Stealth Combat Aircraft Selection

Authors: C. Ardil

Abstract:

Fuzzy set theory and its extensions (intuitionistic fuzzy sets, picture fuzzy sets, and neutrosophic sets) have been widely used to address imprecision and uncertainty in complex decision-making. However, they may struggle with inherent indeterminacy and inconsistency in real-world situations. This study introduces uncertainty sets as a promising alternative, offering a structured framework for incorporating both types of uncertainty into decision-making processes.This work explores the theoretical foundations and applications of uncertainty sets. A novel decision-making algorithm based on uncertainty set-based proximity measures is developed and demonstrated through a practical application: selecting the most suitable stealth combat aircraft.

The results highlight the effectiveness of uncertainty sets in ranking alternatives under uncertainty. Uncertainty sets offer several advantages, including structured uncertainty representation, robust ranking mechanisms, and enhanced decision-making capabilities due to their ability to account for ambiguity.Future research directions are also outlined, including comparative analysis with existing MCDM methods under uncertainty, sensitivity analysis to assess the robustness of rankings,and broader application to various MCDM problems with diverse complexities. By exploring these avenues, uncertainty sets can be further established as a valuable tool for navigating uncertainty in complex decision-making scenarios.

Keywords: Uncertainty set, stealth combat aircraft selection multiple criteria decision-making analysis, MCDM, uncertainty proximity analysis

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60 CFD Study of Subcooled Boiling Flow at Elevated Pressure Using a Mechanistic Wall Heat Partitioning Model

Authors: Machimontorn Promtong, Sherman C. P. Cheung, Guan H. Yeoh, Sara Vahaji, Jiyuan Tu

Abstract:

The wide range of industrial applications involved with boiling flows promotes the necessity of establishing fundamental knowledge in boiling flow phenomena. For this purpose, a number of experimental and numerical researches have been performed to elucidate the underlying physics of this flow. In this paper, the improved wall boiling models, implemented on ANSYS CFX 14.5, were introduced to study subcooled boiling flow at elevated pressure. At the heated wall boundary, the Fractal model, Force balance approach and Mechanistic frequency model are given for predicting the nucleation site density, bubble departure diameter, and bubble departure frequency. The presented wall heat flux partitioning closures were modified to consider the influence of bubble sliding along the wall before the lift-off, which usually happens in the flow boiling. The simulation was performed based on the Two-fluid model, where the standard k-ω SST model was selected for turbulence modelling. Existing experimental data at around 5 bars were chosen to evaluate the accuracy of the presented mechanistic approach. The void fraction and Interfacial Area Concentration (IAC) are in good agreement with the experimental data. However, the predicted bubble velocity and Sauter Mean Diameter (SMD) are over-predicted. This over-prediction may be caused by consideration of only dispersed and spherical bubbles in the simulations. In the future work, the important physical mechanisms of bubbles, such as merging and shrinking during sliding on the heated wall will be incorporated into this mechanistic model to enhance its capability for a wider range of flow prediction.

Keywords: CFD, mechanistic model, subcooled boiling flow, two-fluid model.

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59 Pyrethroid Resistance and Its Mechanism in Field Populations of the Sand Termite, Psammotermes hypostoma Desneux

Authors: Mai. M. Toughan, Ahmed A. A. Sallam, Ashraf O. Abd El-Latif

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Termites are eusocial insects that are found on all continents except Antarctica. Termites have serious destructive impact, damaging local huts and crops of poor subsistence. The annual cost of termite damage and its control is determined in the billions globally. In Egypt, most of these damages are due to the subterranean termite species especially the sand termite, P. hypostoma. Pyrethroids became the primary weapon for subterranean termite control, after the use of chlorpyrifos as a soil termiticide was banned. Despite the important role of pyrethroids in termite control, its extensive use in pest control led to the eventual rise of insecticide resistance which may make many of the pyrethroids ineffective. The ability to diagnose the precise mechanism of pyrethroid resistance in any insect species would be the key component of its management at specified location for a specific population. In the present study, detailed toxicological and biochemical studies was conducted on the mechanism of pyrethroid resistance in P. hypostoma. The susceptibility of field populations of P. hypostoma against deltamethrin, α-cypermethrin and ƛ-cyhalothrin was evaluated. The obtained results revealed that the workers of P. hypostoma have developed high resistance level against the tested pyrethroids. Studies carried out through estimation of detoxification enzyme activity indicated that enhanced esterase and cytochrome P450 activities were probably important mechanisms for pyrethroid resistance in field populations. Elevated esterase activity and also additional esterase isozyme were observed in the pyrethroid-resistant populations compared to the susceptible populations. Strong positive correlation between cytochrome P450 activity and pyrethroid resistance was also reported. |Deltamethrin could be recommended as a resistance-breaking pyrethroid that is active against resistant populations of P. hypostoma.

Keywords: Psammotermes hypostoma, pyrethroid resistance, esterase, cytochrome P450.

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58 Oscillation Effect of the Multi-stage Learning for the Layered Neural Networks and Its Analysis

Authors: Isao Taguchi, Yasuo Sugai

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This paper proposes an efficient learning method for the layered neural networks based on the selection of training data and input characteristics of an output layer unit. Comparing to recent neural networks; pulse neural networks, quantum neuro computation, etc, the multilayer network is widely used due to its simple structure. When learning objects are complicated, the problems, such as unsuccessful learning or a significant time required in learning, remain unsolved. Focusing on the input data during the learning stage, we undertook an experiment to identify the data that makes large errors and interferes with the learning process. Our method devides the learning process into several stages. In general, input characteristics to an output layer unit show oscillation during learning process for complicated problems. The multi-stage learning method proposes by the authors for the function approximation problems of classifying learning data in a phased manner, focusing on their learnabilities prior to learning in the multi layered neural network, and demonstrates validity of the multi-stage learning method. Specifically, this paper verifies by computer experiments that both of learning accuracy and learning time are improved of the BP method as a learning rule of the multi-stage learning method. In learning, oscillatory phenomena of a learning curve serve an important role in learning performance. The authors also discuss the occurrence mechanisms of oscillatory phenomena in learning. Furthermore, the authors discuss the reasons that errors of some data remain large value even after learning, observing behaviors during learning.

Keywords: data selection, function approximation problem, multistage leaning, neural network, voluntary oscillation.

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57 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

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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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56 The Evaluation of New Generation Cardiovascular Risk Markers in Childhood Obesity

Authors: Mustafa M. Donma, Sule G. Kacmaz, Ahsen Yilmaz, Savas Guzel, Orkide Donma

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Obesity, as excessive fat accumulation in the body, is a global health problem. The prevalence of obesity and its complications increase due to easy access to high-energy food and decreased physical activity. Cardiovascular diseases (CVDs) constitute a significant part of obesity-related morbidity and mortality. Since the effects of obesity on cardiovascular system may start during childhood without clinical findings, elucidating the mechanisms of cardiovascular changes associated with childhood obesity became more important. In this study, we aimed to investigate some biochemical parameters which may be involved in obesity-related pathologic processes of CVDs. One hundred and seventy-seven children were included in the study, and they were divided into four groups based upon WHO criteria and presence of the metabolic syndrome (MetS): children with normal-BMI, obesity, morbid obesity, and MetS. High-sensitive cardiac troponin T (hs-cTnT), cardiac myosin binding protein C (cMyBP-C), trimethylamine N-oxide (TMAO), soluble tumor necrosis factor-like weak inducer (sTWEAK), chromogranin A (CgA), multimerin-2 levels, and other biochemical parameters were measured in serum samples. Anthropometric measurements and clinical findings of the children were recorded. Statistical analyses were performed. Children with normal-BMI had significantly higher CgA levels than children with obesity, morbid obesity, and MetS (p < 0.05). Cardiac MyBP-C levels of children with MetS were significantly higher than of children with normal-BMI and OB children (p < 0.05). There was no significant difference in hs-cTnT, sTWEAK, TMAO and multimerin-2 between the groups (p>0.05). These results suggested that cMyBP-C and CgA molecules may be involved in the pathogenesis of obesity-related CVDs.

Keywords: biomarker, cardiovascular diseases, children, obesity

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55 Evaluation of the Analytic for Hemodynamic Instability as A Prediction Tool for Early Identification of Patient Deterioration

Authors: Bryce Benson, Sooin Lee, Ashwin Belle

Abstract:

Unrecognized or delayed identification of patient deterioration is a key cause of in-hospitals adverse events. Clinicians rely on vital signs monitoring to recognize patient deterioration. However, due to ever increasing nursing workloads and the manual effort required, vital signs tend to be measured and recorded intermittently, and inconsistently causing large gaps during patient monitoring. Additionally, during deterioration, the body’s autonomic nervous system activates compensatory mechanisms causing the vital signs to be lagging indicators of underlying hemodynamic decline. This study analyzes the predictive efficacy of the Analytic for Hemodynamic Instability (AHI) system, an automated tool that was designed to help clinicians in early identification of deteriorating patients. The lead time analysis in this retrospective observational study assesses how far in advance AHI predicted deterioration prior to the start of an episode of hemodynamic instability (HI) becoming evident through vital signs? Results indicate that of the 362 episodes of HI in this study, 308 episodes (85%) were correctly predicted by the AHI system with a median lead time of 57 minutes and an average of 4 hours (240.5 minutes). Of the 54 episodes not predicted, AHI detected 45 of them while the episode of HI was ongoing. Of the 9 undetected, 5 were not detected by AHI due to either missing or noisy input ECG data during the episode of HI. In total, AHI was able to either predict or detect 98.9% of all episodes of HI in this study. These results suggest that AHI could provide an additional ‘pair of eyes’ on patients, continuously filling the monitoring gaps and consequently giving the patient care team the ability to be far more proactive in patient monitoring and adverse event management.

Keywords: Clinical deterioration prediction, decision support system, early warning system, hemodynamic status, physiologic monitoring.

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54 Ozone Therapy and Pulsed Electromagnetic Fields Interplay in Controlling Tumor Growth, Symptom and Pain Management: A Case Report

Authors: J. F. Pollo Gaspary, F. Peron Gaspary, E. M. Simão, R. Concatto Beltrame, G. Orengo de Oliveira, M. S. Ristow Ferreira, F. Sartori Thies, I. F. Minello, F. dos Santos de Oliveira

Abstract:

Background: The immune system has evolved several mechanisms to protect the host against cancer, and it has now been suggested that the expansion of its functions may prevent tumor growth and control the symptoms of cancer patients. Two techniques, ozone therapy and pulsed electromagnetic fields (PEMF), are independently associated with an increase in the immune system functions and they maybe help palliative care of patients in these conditions. Case Report: A patient with rectal adenocarcinoma with metastases decides to interrupt the clinical chemotherapy protocol due to refractoriness and side effects. As a palliative care alternative treatment it is suggested to the patient the use of ozone therapy associated with PEMF techniques. Results: The patient reports an improvement in well-being, in autonomy and in pain control. Imaging tests confirm a pause in tumor growth despite more than 60 days without using classic treatment. These results associated with palliative care alternative treatment stimulate the return to the chemotherapy protocol. Discussion: This case illustrates that these two techniques can contribute to the control of tumor growth and refractory symptoms, such as pain, probably by enhancing the immune system. Conclusions: The potential use of the combination of these two therapies, ozone therapy and PEMF therapy, can contribute to palliation of cancer patients, alone or in combination with pharmacological therapies. The conduct of future investigations on this paradigm can elucidate how much these techniques contribute to the survival and well-being of these patients.

Keywords: Cancer, complementary and alternative medicine, ozone therapy, palliative care, PEMF Therapy.

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53 Optimization Approach on Flapping Aerodynamic Characteristics of Corrugated Airfoil

Authors: Wei-Hsin Sun, Jr-Ming Miao, Chang-Hsien Tai, Chien-Chun Hung

Abstract:

The development of biomimetic micro-aerial-vehicles (MAVs) with flapping wings is the future trend in military/domestic field. The successful flight of MAVs is strongly related to the understanding of unsteady aerodynamic performance of low Reynolds number airfoils under dynamic flapping motion. This study explored the effects of flapping frequency, stroke amplitude, and the inclined angle of stroke plane on lift force and thrust force of a bio-inspiration corrugated airfoil with 33 full factorial design of experiment and ANOVA analysis. Unsteady vorticity flows over a corrugated thin airfoil executing flapping motion are computed with time-dependent two-dimensional laminar incompressible Reynolds-averaged Navier-Stokes equations with the conformal hybrid mesh. The tested freestream Reynolds number based on the chord length of airfoil as characteristic length is fixed of 103. The dynamic mesh technique is applied to model the flapping motion of a corrugated airfoil. Instant vorticity contours over a complete flapping cycle clearly reveals the flow mechanisms for lift force generation are dynamic stall, rotational circulation, and wake capture. The thrust force is produced as the leading edge vortex shedding from the trailing edge of airfoil to form a reverse von Karman vortex. Results also indicated that the inclined angle is the most significant factor on both the lift force and thrust force. There are strong interactions between tested factors which mean an optimization study on parameters should be conducted in further runs.

Keywords: biomimetic, MAVs, aerodynamic, ANOVA analysis.

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52 Seismic Behaviour of RC Knee Joints in Closing and Opening Actions

Authors: S. Mogili, J. S. Kuang, N. Zhang

Abstract:

Knee joints, the beam column connections found at the roof level of a moment resisting frame buildings, are inherently different from conventional interior and exterior beam column connections in the way that forces from adjoining members are transferred into joint and then resisted by the joint. A knee connection has two distinct load resisting mechanisms, each for closing and opening actions acting simultaneously under reversed cyclic loading. In spite of many distinct differences in the behaviour of shear resistance in knee joints, there are no special design provisions in the major design codes available across the world due to lack of in-depth research on the knee connections. To understand the relative importance of opening and closing actions in design, it is imperative to study knee joints under varying shear stresses, especially at higher opening-to-closing shear stress ratios. Three knee joint specimens, under different input shear stresses, were designed to produce a varying ratio of input opening to closing shear stresses. The design was carried out in such a way that the ratio of flexural strength of beams with consideration of axial forces in opening to closing actions are maintained at 0.5, 0.7, and 1.0, thereby resulting in the required variation of opening to closing joint shear stress ratios among the specimens. The behaviour of these specimens was then carefully studied in terms of closing and opening capacities, hysteretic behaviour, and envelope curves to understand the differences in joint performance based on which an attempt to suggest design guidelines for knee joints is made emphasizing the relative importance of opening and closing actions. Specimens with relatively higher opening stresses were observed to be more vulnerable under the action of seismic loading.

Keywords: Knee-joints, large-scale testing, opening and closing shear stresses, seismic performance.

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51 Analysing the Renewable Energy Integration Paradigm in the Post-COVID-19 Era: An Examination of the Upcoming Energy Law of China

Authors: Lan Wu

Abstract:

China’s declared transformation towards a ‘new electricity system dominated by renewable energy’ requires a cleaner electricity consumption mix with high shares of renewable energy sourced-electricity (RES-E). Unfortunately, integration of RES-E into Chinese electricity markets remains a problem pending more robust legal support, evidenced by the curtailment of wind and solar power due to integration constraints. The upcoming Energy Law of the PRC (Energy Law) is expected to provide such long-awaiting support and coordinate the existing diverse sector-specific laws to deal with the weak implementation that dampening the delivery of their desired regulatory effects. However, in the shadow of the COVID-19 crisis, it remains uncertain how this new Energy Law brings synergies to RES-E integration, mindful of the significant impacts of the pandemic. Through the theoretical lens of the interplay between China’s electricity market reform and legislative development, this paper investigates whether there is a paradigm shift in Energy Law regarding renewable energy integration compared with the existing sector-specific energy laws. It examines the 2020 Draft for Comments on the Energy Law and analyses its relationship with sector-specific energy laws focusing on RES-E integration. The comparison is drawn upon five critical aspects of the RES-E integration issue, including the status of renewables, marketisation, incentive schemes, consumption mechanisms, access to power grids and dispatching. The analysis shows that it is reasonable to expect a more open and well-organised electricity market, enabling the absorption of high shares of RES-E. The present paper concludes that a period of prosperous development of RES-E in the post-COVID-19 era can be anticipated with the legal support by the upcoming Energy Law. It contributes to understanding the signals China is sending regarding the transition towards a cleaner energy future.

Keywords: energy law, energy transition, electricity market reform, renewable energy integration

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50 Immunolabeling of TGF-β during Muscle Regeneration

Authors: K. Nikovics, D. Riccobono, M. Oger, H. Morin, L. Barbier, T. Poyot, X. Holy, A. Bendahmane, M. Drouet, A. L. Favier

Abstract:

Muscle regeneration after injury (as irradiation) is of great importance. However, the molecular and cellular mechanisms are still unclear. Cytokines are believed to play fundamental role in the different stages of muscle regeneration. They are secreted by many cell populations, but the predominant producers are macrophages and helper T cells. On the other hand, it has been shown that adipose tissue derived stromal/stem cell (ASC) injection could improve muscle regeneration. Stem cells probably induce the coordinated modulations of gene expression in different macrophage cells. Therefore, we investigated the patterns and timing of changes in gene expression of different cytokines occurring upon stem cells loading. Muscle regeneration was studied in an irradiated muscle of minipig animal model in presence or absence of ASC treatment (irradiated and treated with ASCs, IRR+ASC; irradiated not-treated with ASCs, IRR; and non-irradiated no-IRR). We characterized macrophage populations by immunolabeling in the different conditions. In our study, we found mostly M2 and a few M1 macrophages in the IRR+ASC samples. However, only few M2b macrophages were noticed in the IRR muscles. In addition, we found intensive fibrosis in the IRR samples. With in situ hybridization and immunolabeling, we analyzed the cytokine expression of the different macrophages and we showed that M2d macrophage are the most abundant in the IRR+ASC samples. By in situ hybridization, strong expression of the transforming growth factor β (TGF-β) was observed in the IRR+ASC but very week in the IRR samples. But when we analyzed TGF-β level with immunolabeling the expression was very different: many M2 macrophages showed week expression in IRR+ASC and few cells expressing stronger level in IRR muscles. Therefore, we investigated the MMP expressions in the different muscles. Our data showed that the M2 macrophages of the IRR+ASC muscle expressed MMP2 proteins. Our working hypothesis is that MMP2 expression of the M2 macrophages can decrease fibrosis in the IRR+ASC muscle by capturing TGF-β.

Keywords: Adipose tissue derived stromal/stem cell, cytokine, macrophage, muscle regeneration.

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49 Alignment of e-Government Policy Formulation with Practical Implementation: The Case of Sub-Saharan Africa

Authors: W. Munyoka, F. M. Manzira

Abstract:

The purpose of this study is to analyze how varying alignment of e-Government policies in four countries in Sub-Saharan Africa Region, namely South Africa, Seychelles, Mauritius and Cape Verde lead to the success or failure of e-Government; and what should be done to ensure positive alignment that lead to e-Government project growth. In addition, the study aims to understand how various governments’ efforts in e-Government awareness campaign strategies, international cooperation, functional literacy and anticipated organizational change can influence implementation.

This study extensively explores contemporary research undertaken in the field of e-Government and explores the actual respective national ICT policies, strategies and implemented e-Government projects for in-depth comprehension of the status core. Data is analyzed qualitatively and quantitatively to reach a conclusion.

The study found that resounding successes in strategic e-Government alignment was achieved in Seychelles, Mauritius, South Africa and Cape Verde - (Ranked number 1 to 4 respectively).

The implications of the study is that policy makers in developing countries should put mechanisms in place for constant monitoring and evaluation of project implementation in line with ICT policies to ensure that e-Government projects reach maturity levels and do not die mid-way implementation as often noticed in many countries. The study recommends that countries within the region should make consented collaborative efforts and synergies with the private sector players and international donor agencies to achieve the implementation part of the set ICT policies.

Keywords: E-Government, ICT-Policy Alignment, Implementation, Sub-Saharan Africa.

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48 Suitability of Entry into the Euro Area: An Excursion in Selected Economies

Authors: Ludk Benada, Jindika Sedova

Abstract:

The current situation in the eurozone raises a number of topics for discussion and to help in finding an answer to the question of whether a common currency is a more suitable means of coping with the impact of the financial crisis or whether national currencies are better suited to this. The economic situation in the EU is now considerably volatile and, due to problems with the fulfilment of the Maastricht convergence criteria, it is now being considered whether, in their further development, new member states will decide to distance themselves from the euro or will, in an attempt to overcome the crisis, speed up the adoption of the euro. The Czech Republic is one country with little interest in adopting the euro, justified by the fact that a better alternative to dealing with this crisis is an independent monetary policy and its ability to respond flexibly to the economic situation not only in Europe, but around the world. One attribute of the crisis in the Czech Republic and its mitigation is the freely floating exchange rate of the national currency. It is not only the Czech Republic that is attempting to alleviate the impact of the crisis, but also new EU member countries facing fresh questions to which theory have yet to provide wholly satisfactory answers. These questions undoubtedly include the problem of inflation targeting and the choice of appropriate instruments for achieving financial stability. The difficulty lies in the fact that these objectives may be contradictory and may require more than one means of achieving them. In this respect we may assume that membership of the euro zone might not in itself mitigate the development of the recession or protect the nation from future crises. We are of the opinion that the decisive factor in the development of any economy will continue to be the domestic economic policy and the operability of market economic mechanisms. We attempt to document this fact using selected countries as examples, these being the Czech Republic, Poland, Hungary, and Slovakia.

Keywords: Currency exchange rate, Maastricht convergence criteria, monetary union, public finances.

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47 Vancomycin and Rifaximin Combination Therapy for Diarrhoea Predominant Irritable Bowel Syndrome: An Observational Study

Authors: P. Murphy, D. Vasic, A. W. Gunaratne, T. Tugonon, M. Ison, C. Pagonis, E. T. Sitchon, A. Le Busque, T. J. Borody

Abstract:

Irritable bowel syndrome (IBS) is a gastrointestinal disorder characterized by an alteration in bowel movements. There are three different types of IBS: diarrhea-predominant IBS (IBS-D), constipation-predominant IBS (IBS-C) and IBS with mixed bowel habit (IBS-M). Antimicrobials are increasingly being used as treatment for all types of IBS. Due to this increased use and subsequent success, the gut microbiome as a factor in the etiology of IBS is becoming more apparent. Accepted standard treatment has focused on IBS-C and involves either vancomycin or rifaximin. Here, we report on a cohort of 18 patients treated with both vancomycin and rifaximin for IBS-D. These patients’ records were reviewed retrospectively. In this cohort, patients were aged between 24-74 years (mean 44 years) and nine were female. At baseline all patients had diarrhea, four with mucus and one with blood. Other reported symptoms include abdominal pain (n = 11) bloating (n = 9), flatulence (n = 7), fatigue (n = 4) and nausea (n = 3). Patient’s treatments were personalized according to their symptom severity and tolerability and were treated with a combination of rifaximin (500-3000 mg/d) and vancomycin (500 mg-1500 mg/d) for an ongoing period. Follow-ups were conducted between 2-32 weeks. Of all patients, 89% reported improvement of at least 1 symptom, one reported no change and one patient’s symptoms got worse. The success of this combination treatment could be due to the different mechanisms of action undertaken by each medication. Vancomycin works by inhibiting the cell wall of the bacteria and rifaximin by inhibiting protein synthesis. This success in treatment validates the idea that IBS-D may be driven by a bacterial infection of the gastrointestinal microbiome. As IBS-D presents similarly to Clostridium difficile and symptom improvement can occur with the same treatment as Clostridium difficile of rifaximin and vancomycin, there is reason to suggest that the infectious agent could be an unidentified strain of Clostridium. Although these results offer some validity to the theory, more research is required.

Keywords: Clostridium difficile infection, diarrhea predominant irritable bowel syndrome, microbiome, vancomycin/rifaximin combination.

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46 Optimization of Acid Treatments by Assessing Diversion Strategies in Carbonate and Sandstone Formations

Authors: Ragi Poyyara, Vijaya Patnana, Mohammed Alam

Abstract:

When acid is pumped into damaged reservoirs for damage removal/stimulation, distorted inflow of acid into the formation occurs caused by acid preferentially traveling into highly permeable regions over low permeable regions, or (in general) into the path of least resistance. This can lead to poor zonal coverage and hence warrants diversion to carry out an effective placement of acid. Diversion is desirably a reversible technique of temporarily reducing the permeability of high perm zones, thereby forcing the acid into lower perm zones. The uniqueness of each reservoir can pose several challenges to engineers attempting to devise optimum and effective diversion strategies. Diversion techniques include mechanical placement and/or chemical diversion of treatment fluids, further sub-classified into ball sealers, bridge plugs, packers, particulate diverters, viscous gels, crosslinked gels, relative permeability modifiers (RPMs), foams, and/or the use of placement techniques, such as coiled tubing (CT) and the maximum pressure difference and injection rate (MAPDIR) methodology. It is not always realized that the effectiveness of diverters greatly depends on reservoir properties, such as formation type, temperature, reservoir permeability, heterogeneity, and physical well characteristics (e.g., completion type, well deviation, length of treatment interval, multiple intervals, etc.). This paper reviews the mechanisms by which each variety of diverter functions and discusses the effect of various reservoir properties on the efficiency of diversion techniques. Guidelines are recommended to help enhance productivity from zones of interest by choosing the best methods of diversion while pumping an optimized amount of treatment fluid. The success of an overall acid treatment often depends on the effectiveness of the diverting agents.

Keywords: Acid treatment, carbonate, diversion, sandstone.

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45 The Growth of E-Commerce and Online Dispute Resolution in Developing Nations: An Analysis

Authors: Robin V. Cupido

Abstract:

Online dispute resolution has been identified in many countries as a viable alternative for resolving conflicts which have arisen in the so-called digital age. This system of dispute resolution is developing alongside the Internet, and as new types of transactions are made possible by our increased connectivity, new ways of resolving disputes must be explored. Developed nations, such as the United States of America and the European Union, have been involved in creating these online dispute resolution mechanisms from the outset, and currently have sophisticated systems in place to deal with conflicts arising in a number of different fields, such as e-commerce, domain name disputes, labour disputes and conflicts arising from family law. Specifically, in the field of e-commerce, the Internet’s borderless nature has served as a way to promote cross-border trade, and has created a global marketplace. Participation in this marketplace boosts a country’s economy, as new markets are now available, and consumers can transact from anywhere in the world. It would be especially advantageous for developing nations to be a part of this global marketplace, as it could stimulate much-needed investment in these nations, and encourage international co-operation and trade. However, for these types of transactions to proliferate, an effective system for resolving the inevitable disputes arising from such an increase in e-commerce is needed. Online dispute resolution scholarship and practice is flourishing in developed nations, and it is clear that the gap is widening between developed and developing nations in this regard. The potential for implementing online dispute resolution in developing countries has been discussed, but there are a number of obstacles that have thus far prevented its continued development. This paper aims to evaluate the various political, infrastructural and socio-economic challenges faced in developing nations, and to question how these have impacted the acceptance and development of online dispute resolution, scholarship and training of online dispute resolution practitioners and, ultimately, developing nations’ readiness to participate in cross-border e-commerce.

Keywords: Developing countries, feasibility, online dispute resolution, progress.

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44 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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