Search results for: agent based simulation

Authors: Wilma Coetzee

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Statistics lecturers experience that many students who are taking a service course in statistics do not like statistics. Students in these courses tend to struggle and do not perform well. This research takes a look at the student’s perspective, with the aim to determine how to change the teaching of statistics so that students will enjoy it more and perform better. Questionnaires were used to determine the perspectives of first year service statistics students at a South African university. Factors addressed included motivation to study, attitude toward statistics, statistical anxiety, mathematical abilities and tendency to procrastinate. Logistic regression was used to determine what contributes to students performing badly in statistics. The results show that the factors that contribute the most to students performing badly are: statistical anxiety, not being motivated and having had mathematical literacy instead of mathematics in secondary school. Two open ended questions were included in the questionnaire: 'I will enjoy statistics more if…' and 'I will perform better in statistics if…'. The answers to these questions were analyzed using qualitative methods. Frequent themes were identified for each of the questions. A simulation study incorporating bootstrapping was done to determine the saturation of the themes. The majority of the students indicated that they would perform better in statistics if they studied more, managed their time better, had a flare for mathematics and if the lecturer was able to explain difficult concepts better. They also want more active learning. To ensure that students enjoy statistics more, they want an active learning experience. They want fun activities, more interaction with the lecturer and with one another, more computer based problems, and more challenges. They want a better understanding of the subject, want to understand the relevance of statistics to their future career and want excellent lecturers. These findings can be used to direct the improvement of the tuition of statistics.

Keywords: active learning, performance in statistics, statistical anxiety, statistics education

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Authors: Amer Momani, Tarek Al-Hawari, Abdallah Alakayleh

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This study explains how to construct an actionable activity-based costing and management system to accurately track and account the total costs of architectural aluminum projects. Two ABC models were proposed to accomplish this purpose. First, the learning and development model was introduced to examine how to apply an ABC model in an architectural aluminum firm for the first time and to be familiar with ABC concepts. Second, an actual ABC model was built on the basis of the results of the previous model to accurately trace the actual costs incurred on each project in a year, and to be able to provide a quote with the best trade-off between competitiveness and profitability. The validity of the proposed model was verified on a local architectural aluminum company.

Keywords: activity-based costing, activity-based management, construction, architectural aluminum

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Authors: Diljan C. K.

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Every location on the planet has a history and culture that give it its own identity and character, making it distinct from others. urbanised world, it is fashionable to remould its original character and impression in a contemporary style. The new character and impression of places show a complete detachment from their roots. The heritage and cultural values of the place are replaced by new impressions, and as a result, they eventually lose their identity and character and never have sustenance. In this situation, form-based coding acts as a tool in the urban design process, helping to come up with solutions that strongly bind individuals to their neighbourhood and are closely related to culture through the physical spaces they are associated with. Form-based code was made by pioneers of new urbanism in 1987 in the United States of America. Since then, it has been used in various projects inside and outside the USA with varied scales, from the design of a single building to the design of a whole community. This research makes an effort to interpret the form-based code in historic corridors to establish the association of physical form and space with the public realm to uphold the context and culture. Many of the historic corridors are undergoing a tremendous transformation in their physical form, avoiding their culture and context. This will lead to it losing its identity in form and function. If the case of Valiyashala in Trivandrum is taken as the case, which is transforming its form and will lead to the loss of its identity, the form-based code will be a suitable tool to strengthen its historical value. The study concludes by analysing the existing code (KMBR) of Valiyashala and form-based code to find the requirements in form-based code for Valiyashala.

Keywords: form based code, urban conservation, heritage, historic corridor

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Authors: Agnieszka Krzemińska, Katarzyna Świderek, Vicente Molinier, Piotr Paneth

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In order to understand in details the interactions between ligands and the enzyme isotope effects were studied between clinically used drugs that bind in the active site of Human Immunodeficiency Virus Reverse Transcriptase, HIV-1 RT, as well as triazole-based inhibitor that binds in the allosteric pocket of this enzyme. The magnitudes and origins of the resulting binding isotope effects were analyzed. Subsequently, binding isotope effect of the same triazole-based inhibitor bound in the active site were analyzed and compared. Together, these results show differences in binding origins in two sites of the enzyme and allow to analyze binding mode and place of newly synthesized inhibitors. Typical protocol is described below on the example of triazole ligand in the allosteric pocket. Triazole was docked into allosteric cavity of HIV-1 RT with Glide using extra-precision mode as implemented in Schroedinger software. The structure of HIV-1 RT was obtained from Protein Data Bank as structure of PDB ID 2RKI. The pKa for titratable amino acids was calculated using PROPKA software, and in order to neutralize the system 15 Cl- were added using tLEaP package implemented in AMBERTools ver.1.5. Also N-terminals and C-terminals were build using tLEaP. The system was placed in 144x160x144Å3 orthorhombic box of water molecules using NAMD program. Missing parameters for triazole were obtained at the AM1 level using Antechamber software implemented in AMBERTools. The energy minimizations were carried out by means of a conjugate gradient algorithm using NAMD. Then system was heated from 0 to 300 K with temperature increment 0.001 K. Subsequently 2 ns Langevin−Verlet (NVT) MM MD simulation with AMBER force field implemented in NAMD was carried out. Periodic Boundary Conditions and cut-offs for the nonbonding interactions, range radius from 14.5 to 16 Å, are used. After 2 ns relaxation 200 ps of QM/MM MD at 300 K were simulated. The triazole was treated quantum mechanically at the AM1 level, protein was described using AMBER and water molecules were described using TIP3P, as implemented in fDynamo library. Molecules 20 Å apart from the triazole were kept frozen, with cut-offs established on range radius from 14.5 to 16 Å. In order to describe interactions between triazole and RT free energy of binding using Free Energy Perturbation method was done. The change in frequencies from ligand in solution to ligand bounded in enzyme was used to calculate binding isotope effects.

Keywords: binding isotope effects, molecular dynamics, HIV, reverse transcriptase

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Authors: Mahnoosh Aliahmadi, Akbar Esmaeili

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This study synthesized new modified imaging nanocapsules (NCs) of gallium@deferoxamine/folic acid/chitosan/polyaniline/polyvinyl alcohol (Ga@DFA/FA/CS/PANI/PVA) containing Morus nigra extract by selenium nanoparticles prepared from Lactobacillus acidophilus. Se nanoparticles were then deposited on (Ga@DFA/FA/CS/PANI/PVA) using the impregnation method. The modified contrast agents were mixed with M. nigra extract, and their antibacterial activities were investigated by applying them to L929 cell lines. The influence of variable factors including surfactant, solvent, aqueous phase, pH, buffer, minimum Inhibitory concentration (MIC), minimum bactericidal concentration (MBC), cytotoxicity on cancer cells, antibiotic, antibiogram, release and loading, stirring effect, the concentration of nanoparticle, olive oil, and thermotical methods was investigated. The structure and morphology of the synthesized contrast agents were characterized by zeta potential sizer analysis (ZPS), X-Ray diffraction (XRD), Fourier-transform infrared (FT-IR), and energy-dispersive X-ray (EDX), ultraviolet-visible (UV-Vis) spectra, and scanning electron microscope (SEM). The experimental section was conducted and monitored by response surface methods (RSM) and MTT conversion assay. Antibiogram testing of NCs on Pseudomonas aeruginosa bacteria was successful, and the MIC=2 factor was obtained with a less harmful effect.

Keywords: imaging contrast agent, nanoparticles, response surface method, Lactobacillus acidophilus, selenium

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

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

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

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Authors: R. Loukil, M. Chtourou, T. Damak

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This paper investigates the training of multilayer neural network using the classic approach. Then, for estimation purposes, we suggest the use of a specific neural observer that we study its training algorithm which is the back-propagation one in the case of the disponibility of the state and in the case of an unmeasurable state. A MATLAB simulation example will be studied to highlight the usefulness of this kind of observer.

Keywords: training, estimation purposes, neural observer, back-propagation, unmeasurable state

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Authors: Raana Babadi Fathipour

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Food packaging plays a crucial role in protecting food from unwanted external factors. Antibacterial edible films are a promising option for food packaging due to their biodegradability, environmental friendliness, and safety. This paper reviews recent research progress on antimicrobial edible films, focusing on those made from polysaccharides, proteins, and lipids. Polysaccharides and proteins are the primary components of antimicrobial edible films, while lipids primarily serve as plasticizers and carriers for active substances in composite films. For instance, second-generation liposomes have shown great potential as carriers for antimicrobial substances and other bioactive compounds due to their exceptional stability. Furthermore, this paper analyzes recent advancements and future trends in antimicrobial edible films. One promising direction is the integration of antimicrobial edible film materials with delivery systems, such as nanoemulsion and microencapsulation technologies, to ensure stable loading of bioactive substances. Another emerging area of interest is the development of smart and active packaging that allows consumers to assess the freshness of food products without opening the package. pH-sensitive films and smart fluorescent "on-off" sensors for humidity are currently being explored as materials for smart and active packaging to monitor food product freshness, with further exploration anticipated in the future.

Keywords: antimicrobial edible film, biopolymer, antimicrobial agent, encapsulation, antimicrobial assay

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Authors: Hatam H. Ali, Mohd Shahrizal Sunar, Hoshang Kolivand, Mohd Azhar Bin M. Arsad

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Rendering light shafts is one of the important topics in computer gaming and interactive applications. The methods and models that are used to generate light shafts play crucial role to make a scene more realistic in computer graphics. This article discusses the image-based shadows and geometric-based shadows that contribute in generating volumetric shadows and light shafts, depending on ray tracing, radiosity, and ray marching technique. The main aim of this study is to provide researchers with background on a progress of light scattering methods so as to make it available for them to determine the technique best suited to their goals. It is also hoped that our classification helps researchers find solutions to the shortcomings of each method.

Keywords: shaft of lights, realistic images, image-based, and geometric-based

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Authors: Margherita Tufarelli, Leonardo Giliberti, Elena Pucci

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The fashion industry's interest in virtuality is linked, on the one hand, to the emotional and immersive possibilities of digital resources and the resulting languages and, on the other, to the greater efficiency that can be achieved throughout the value chain. The interaction between digital innovation and deep-rooted manufacturing traditions today translates into a paradigm shift for the entire fashion industry where, for example, the traditional values of industrial secrecy and know-how give way to experimentation in an open as well as participatory way, and the complete emancipation of virtual reality from actual 'reality'. The contribution aims to investigate the theme of digitisation in the Italian fashion industry, analysing its opportunities and the criticalities that have hindered its diffusion. There are two reasons why the most common approach in the fashion sector is still analogue: (i) the fashion product lives in close contact with the human body, so the sensory perception of materials plays a central role in both the use and the design of the product, but current technology is not able to restore the sense of touch; (ii) volumes are obtained by stitching flat surfaces that once assembled, given the flexibility of the material, can assume almost infinite configurations. Managing the fit and styling of virtual garments involves a wide range of factors, including mechanical simulation, collision detection, and user interface techniques for garment creation. After briefly reviewing some of the salient historical milestones in the resolution of problems related to the digital simulation of deformable materials and the user interface for the procedures for the realisation of the clothing system, the paper will describe the operation and possibilities offered today by the latest generation of specialised software. Parametric avatars and digital sartorial approach; drawing tools optimised for pattern making; materials both from the point of view of simulated physical behaviour and of aesthetic performance, tools for checking wearability, renderings, but also tools and procedures useful to companies both for dialogue with prototyping software and machinery and for managing the archive and the variants to be made. The article demonstrates how developments in technology and digital procedures now make it possible to intervene in different stages of design in the fashion industry. An integrated and additive process in which the constructed 3D models are usable both in the prototyping and communication of physical products and in the possible exclusively digital uses of 3D models in the new generation of virtual spaces. Mastering such tools requires the acquisition of specific digital skills and, at the same time, traditional skills for the design of the clothing system, but the benefits are manifold and applicable to different business dimensions. We are only at the beginning of the global digital transformation: the emergence of new professional figures and design dynamics leaves room for imagination, but in addition to applying digital tools to traditional procedures, traditional fashion know-how needs to be transferred into emerging digital practices to ensure the continuity of the technical-cultural heritage beyond the transformation.

Keywords: digital fashion, digital technology and couture, digital fashion communication, 3D garment simulation

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Authors: Monia Hassan Abdulrahman

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Resource-based view is built on many theories in addition to diverse perspectives, we extend this view placing emphasis on human resources addressing the tools required to sustain competitive advantage. Highlighting on several theories and judgments, assumptions were established to clearly reach if resource possession alone suffices for the sustainability of competitive advantage, or necessary accommodation are required for better performance. New practices were indicated in terms of resources used in firms, these practices were implemented on the human resources in particular, and results were developed in compliance to the mentioned assumptions. Such results drew attention to the significance of practices that provide enhancement of human resources that have a core responsibility of maintaining resource-based view for an organization to lead the way to gaining competitive advantage.

Keywords: competitive advantage, resource based value, human resources, strategic management

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Authors: Miroslaw Wendeker, Piotr Kacejko, Mariusz Duk, Pawel Karpinski

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The research in the field of aircraft internal combustion engines is currently driven by the needs of decreasing fuel consumption and CO2 emissions, while fulfilling the level of safety. Currently, reciprocating aircraft engines are found in sports, emergency, agricultural and recreation aviation. Technically, they are most at a pre-war knowledge of the theory of operation, design and manufacturing technology, especially if compared to that high level of development of automotive engines. Typically, these engines are driven by carburetors of a quite primitive construction. At present, due to environmental requirements and dealing with a climate change, it is beneficial to develop aircraft piston engines and adopt the achievements of automotive engineering such as computer-controlled low-pressure injection, electronic ignition control and biofuels. The paper describes simulation research of the innovative power and control systems for the aircraft radial engine of high power. Installing an electronic ignition system in the radial aircraft engine is a fundamental innovative idea of this solution. Consequently, the required level of safety and better functionality as compared to the today’s plug system can be guaranteed. In this framework, this research work focuses on describing a methodology for optimizing the electronically controlled ignition system. This attempt can reduce emissions of toxic compounds as a result of lowered fuel consumption, optimized combustion and engine capability of efficient combustion of ecological fuels. New, redundant elements of the control system can improve the safety of aircraft. Consequently, the required level of safety and better functionality as compared to the today’s plug system can be guaranteed. The simulation research aimed to determine the vulnerability of the values measured (they were planned as the quantities measured by the measurement systems) to determining the optimal ignition angle (the angle of maximum torque at a given operating point). The described results covered: a) research in steady states; b) velocity ranging from 1500 to 2200 rpm (every 100 rpm); c) loading ranging from propeller power to maximum power; d) altitude ranging according to the International Standard Atmosphere from 0 to 8000 m (every 1000 m); e) fuel: automotive gasoline ES95. The three models of different types of ignition coil (different energy discharge) were studied. The analysis aimed at the optimization of the design of the innovative ignition system for an aircraft engine. The optimization involved: a) the optimization of the measurement systems; b) the optimization of actuator systems. The studies enabled the research on the vulnerability of the signals to the control of the ignition timing. Accordingly, the number and type of sensors were determined for the ignition system to achieve its optimal performance. The results confirmed the limited benefits, in terms of fuel consumption. Thus, including spark management in the optimization is mandatory to significantly decrease the fuel consumption. This work has been financed by the Polish National Centre for Research and Development, INNOLOT, under Grant Agreement No. INNOLOT/I/1/NCBR/2013.

Keywords: piston engine, radial engine, ignition system, CFD model, engine optimization

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Authors: Eun-Jun Yoon

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Deniable authentication protocol is a new security authentication mechanism which can enable a receiver to identify the true source of a given message, but not to prove the identity of the sender to a third party. In 2013, Kar proposed a secure ID-based deniable authentication protocol whose security is based on computational infeasibility of solving Elliptic Curve Diffie-Hellman Problem (ECDHP). Kar claimed that the proposed protocol achieves properties of deniable authentication, mutual authentication, and message confidentiality. However, this paper points out that Kar's protocol still suffers from sender spoofing attack and message modification attack unlike its claims.

Keywords: deniable authentication, elliptic curve cryptography, Diffie-Hellman problem, cryptanalysis

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Authors: Minase Yitbarek Mengistu, Abrham Melkamu, Dawit Yisfaw, Bisrat Belihu, Abdulhakim Lalega

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This research was aimed at reducing and recycling waste paper and sawdust from our environment, thereby reducing environmental pollution resulting from the management/disposal of these waste materials. In this research, some mechanical properties of composite ceiling board materials made from waste paper, sawdust, and pineapple leaf fibers were investigated to determine their suitability for use in low-cost construction work. The ceiling board was obtained from the waste of paper, sawdust chips, and pineapple leaf fibers by manual mechanical bonding techniques using dissolved polystyrene films as a binding agent. The results obtained showed that the water absorption values of between 6 % and 8.1 %; as well as density values of 500 kg/mm3 and 611.1 kg/mm3.From our result, the better one is a ratio of pineapple leaf fiber 25%, sawdust 40%, binder 25%, and waste paper 10%. The composite ceiling boards were successfully nailed with firm grips. These values obtained were compared with those of the conventional ceiling boards and it was observed that these composite materials can be used for internal low-cost construction work and Insulation (acoustic and thermal) performance. It is highly recommended that small and medium enterprises be encouraged to venture into waste recycling and the production of these composite ceiling materials to create jobs for skilled and unskilled labor that are locally available.

Keywords: composite material, environment, textile, ceiling board

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Authors: Kyriaki Kalaitzidou, Athanasia Tolkou, Christina Raptopoulou, Manassis Mitrakas, Anastasios Zouboulis

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Phosphate rock is the main source of phosphorous (P) in fertilizers and is essential for high crop yield in agriculture; currently, it is considered as a critical element, phasing scarcity. Chemical precipitation, which is a commonly used method of phosphorous removal from wastewaters, finds its significance in that phosphates may be precipitated in appropriate chemical forms that can be reused-recovered. Most often phosphorous is removed from wastewaters in the form of insoluble phosphate salts, by using salts (coagulants) of multivalent metal ions, most frequently iron, aluminum, calcium, or magnesium. The removal degree is affected by various factors, such as pH, chemical agent dose, temperature, etc. In this study, phosphate precipitation from the secondary (biologically treated) effluent of a municipal wastewater treatment plant is examined. Using chlorosulfate (FeClSO4) it was attempted to either remove and/or recover PO43-. Results showed that the use of Fe3+ can achieve residual concentrations lower than the commonly applied legislation limit of PO43- (i.e. 3 mg PO43-/L) by adding 7.5 mg/L Fe3+ in the secondary effluent with an initial concentration of about 10 mg PO43-/L and at pH range between 6 to 9. In addition, the formed sediment has a percentage of almost 24% PO43- content. Therefore, simultaneous removal and recovery of PO43- as ferric phosphate can be achieved, making it possible for the ferric phosphate to be re-used as a possible (secondary) fertilizer source.

Keywords: ferric phosphate, phosphorus recovery, phosphorus removal, wastewater treatment

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Authors: Shaolin Allen Liao, Hual-Te Chien

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Various THz phase extraction algorithms have been developed for a novel THz Modulating Interferometric Doppler Radar (THz-MIDR) developed recently by the author. The THz-MIDR differs from the well-known FTIR technique in that it introduces a continuously modulating reference branch, compared to the time-consuming discrete FTIR stepping reference branch. Such change allows real-time tracking of a moving object and capturing of its Doppler signature. The working principle of the THz-MIDR is similar to the FTIR technique: the incoming THz emission from the scene is split by a beam splitter/combiner; one of the beams is continuously modulated by a vibrating mirror or phase modulator and the other split beam is reflected by a reflection mirror; finally both the modulated reference beam and reflected beam are combined by the same beam splitter/combiner and detected by a THz intensity detector (for example, a pyroelectric detector). In order to extract THz phase from the single intensity measurement signal, we have derived rigorous mathematical formulas for 3 Frequency Banded (FB) signals: 1) DC Low-Frequency Banded (LFB) signal; 2) Fundamental Frequency Banded (FFB) signal; and 3) Harmonic Frequency Banded (HFB) signal. The THz phase extraction algorithms are then developed based combinations of 2 or all of these 3 FB signals with efficient algorithms such as Levenberg-Marquardt nonlinear fitting algorithm. Numerical simulation has also been performed in Matlab with simulated THz-MIDR interferometric signal of various Signal to Noise Ratio (SNR) to verify the algorithms.

Keywords: algorithm, modulation, THz phase, THz interferometry doppler radar

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Authors: Muhammad Hassan Khalil, Xu Jiadong

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Detection of malignant tumor inside the breast of women is a challenging field for the researchers. MWI (Microwave imaging) for breast cancer diagnosis has been of interest for last two decades, newly it suggested for finding cancerous tissues of women breast. A simple and basic idea of the mathematical modeling is used throughout this paper for imaging of malignant tumor. In this paper, the authors explained inverse scattering method in the microwave imaging and also present some simulation results.

Keywords: breast cancer detection, microwave imaging, tomography, tumor

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Authors: Lee Myung-Won, Kwak Keun-Chang

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This paper is concerned with knowledge representation and extraction of fuzzy if-then rules using Interval Type-2 Context-based Fuzzy C-Means clustering (IT2-CFCM) with the aid of fuzzy granulation. This proposed clustering algorithm is based on information granulation in the form of IT2 based Fuzzy C-Means (IT2-FCM) clustering and estimates the cluster centers by preserving the homogeneity between the clustered patterns from the IT2 contexts produced in the output space. Furthermore, we can obtain the automatic knowledge representation in the design of Radial Basis Function Networks (RBFN), Linguistic Model (LM), and Adaptive Neuro-Fuzzy Networks (ANFN) from the numerical input-output data pairs. We shall focus on a design of ANFN in this paper. The experimental results on an estimation problem of energy performance reveal that the proposed method showed a good knowledge representation and performance in comparison with the previous works.

Keywords: IT2-FCM, IT2-CFCM, context-based fuzzy clustering, adaptive neuro-fuzzy network, knowledge representation

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Authors: Sonam Kelzang

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Background: Penetrating injuries as a result of traditional sports (Archery and Khuru) are commonly seen in Bhutan. To our knowledge, there is no study carried out looking into the data of penetrating injuries due to traditional sports. Aim: This is a retrospective analysis of cases of penetrating injuries as a result of traditional sports admitted to JDWNRH over the last 3 years to draw an inference on the pattern of injury and associated morbidity and mortality. Method: Data on penetrating injuries related to traditional sports (Archery and Khuru) were collected and reviewed over the period of 3 years. Assault cases were excluded. For each year we analysed age, sex, parts of the body affected, agent of injury and whether admission was required or not. Results: Out of the total 44 victims of penetrating injury by traditional sports (Archery and Khuru) between 2013 and 2015 (average of 15 cases of penetrating injuries per year). Eighty-five percent were male and 15% were female. Their age ranged from 4 yrs to 62 years. Sixty-one percent of the victims were in the working age group of 19-58 years; 30% of the victims were referred from various district hospitals; 38% of the victims needed admission; 42 % of the victims suffered injury to the head; and 54% of the injuries were caused by Khuru. Conclusion: Penetrating injuries due to traditional sports admitted to JDWNRH, Thimphu, remained same over the three years period despite safety regulations in place. Although there were no deaths during the last three years, morbidity still remains high.

Keywords: archery, Bhutan, Khuru, darts

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Authors: Michael Huber, Maximilian J. Poller, Jens Tochtermann, Wolfgang Korth, Andreas Jess, Jakob Albert

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Aside from the desulfurisation, the denitrogenation of fuels is of great importance to minimize the environmental impact of transport emissions. The oxidative reaction pathway of organic nitrogen in the catalytic oxidative denitrogenation could be successfully elucidated. This is the first time such a pathway could be traced in detail in non-microbial systems. It was found that the organic nitrogen is first oxidized to nitrate, which is subsequently reduced to molecular nitrogen via nitrous oxide. Hereby, the organic substrate serves as a reducing agent. The discovery of this pathway is an important milestone for the further development of fuel denitrogenation technologies. The United Nations aims to counteract global warming with Net Zero Emissions (NZE) commitments; however, it is not yet foreseeable when crude oil-based fuels will become obsolete. In 2021, more than 50 million barrels per day (mb/d) were consumed for the transport sector alone. Above all, heteroatoms such as sulfur or nitrogen produce SO₂ and NOx during combustion in the engines, which is not only harmful to the climate but also to health. Therefore, in refineries, these heteroatoms are removed by hy-drotreating to produce clean fuels. However, this catalytic reaction is inhibited by the basic, nitrogenous reactants (e.g., quinoline) as well as by NH3. The ion pair of the nitrogen atom forms strong pi-bonds to the active sites of the hydrotreating catalyst, which dimin-ishes its activity. To maximize the desulfurization and denitrogenation effectiveness in comparison to just extraction and adsorption, selective oxidation is typically combined with either extraction or selective adsorption. The selective oxidation produces more polar compounds that can be removed from the non-polar oil in a separate step. The extraction step can also be carried out in parallel to the oxidation reaction, as a result of in situ separation of the oxidation products (ECODS; extractive catalytic oxidative desulfurization). In this process, H8PV5Mo7O40 (HPA-5) is employed as a homogeneous polyoxometalate (POM) catalyst in an aqueous phase, whereas the sulfur containing fuel components are oxidized after diffusion from the organic fuel phase into the aqueous catalyst phase, to form highly polar products such as H₂SO₄ and carboxylic acids, which are thereby extracted from the organic fuel phase and accumulate in the aqueous phase. In contrast to the inhibiting properties of the basic nitrogen compounds in hydrotreating, the oxidative desulfurization improves with simultaneous denitrification in this system (ECODN; extractive catalytic oxidative denitrogenation). The reaction pathway of ECODS has already been well studied. In contrast, the oxidation of nitrogen compounds in ECODN is not yet well understood and requires more detailed investigations.

Keywords: oxidative reaction pathway, denitrogenation of fuels, molecular catalysis, polyoxometalate

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Authors: Dhouibi Mohamed, Stirbu Bogdan, Chabotier André, Pirlot Marc

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Effects of erosion and wear on the performance of small caliber guns have been analyzed throughout numerical and experimental studies. Mainly, qualitative observations were performed. Correlations between the volume change of the chamber and the maximum pressure are limited. This paper focuses on the development of a numerical model to predict the maximum pressure evolution when the interior shape of the chamber changes in the different weapon’s life phases. To fulfill this goal, an experimental campaign, followed by a numerical simulation study, is carried out. Two test barrels, « 5.56x45mm NATO » and « 7.62x51mm NATO,» are considered. First, a Coordinate Measuring Machine (CMM) with a contact scanning probe is used to measure the interior profile of the barrels after each 300-shots cycle until their worn out. Simultaneously, the EPVAT (Electronic Pressure Velocity and Action Time) method with a special WEIBEL radar are used to measure: (i) the chamber pressure, (ii) the action time, (iii) and the bullet velocity in each barrel. Second, a numerical simulation study is carried out. Thus, a coupled interior ballistic model is developed using the dynamic finite element program LS-DYNA. In this work, two different models are elaborated: (i) coupled Eularien Lagrangian method using fluid-structure interaction (FSI) techniques and a coupled thermo-mechanical finite element using a lumped parameter model (LPM) as a subroutine. Those numerical models are validated and checked through three experimental results, such as (i) the muzzle velocity, (ii) the chamber pressure, and (iii) the surface morphology of fired projectiles. Results show a good agreement between experiments and numerical simulations. Next, a comparison between the two models is conducted. The projectile motions, the dynamic engraving resistances and the maximum pressures are compared and analyzed. Finally, using this obtained database, a statistical correlation between the muzzle velocity, the maximum pressure and the chamber volume is established.

Keywords: engraving process, finite element analysis, gun barrel erosion, interior ballistics, statistical correlation

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Authors: Shreya Sara Ittycheria, K. C. Sivakumar, Shijulal Nelson Sathi, Priya Srinivas

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hCG, a heterodimer composed of α and β subunits, is a peptide hormone having numerous biological functions. Although hCG is expressed by placenta during pregnancy, ectopic β-hCG secretion is observed in many non-trophoblastic tumors including that of breast. In-vitro and in-vivo studies done in the lab, have proved that BRCA1 defective cancers express β-hCG and when β-hCG is expressed or supplemented, it promotes tumor progression and exhibits resistance to carboplatin and ABT888, in such cancers but not in BRCA1 wild type cancers. In cancer cells, instead of binding to its regular receptor, LH-CGR, β-hCG binds with Transforming Growth Factor Receptor 2 (TGFβRII) and phosphorylates it resulting in faster tumor progression through the Smad signaling pathway. Targeting β-hCG could be a potential therapeutic strategy for managing BRCA1 defective cancers. Here, molecular docking and dynamic simulation studies were done to identify potential small molecule inhibitors against β-hCG as there are currently no such inhibitors reported. The binding sites of TGFβRII on β-hCG were identified from the top 10 predicted complexes from Z Dock. Virtual screening of selected commercially available small molecules from various libraries such as ZINC, NCI and Life Chemicals amounting to a total of 50,025 molecules were done. Four potential small molecule inhibitors were identified, RgcbPs-1, RgcbPs-2, RgcbPs-3 and RgcbPs-4 with binding affinities -60.778 kcal/mol, -45.447 kcal/mol, -65.2268 kcal/mol and -82.040 kcal/mol respectively. Further, 100ns Molecular Dynamics (MD) simulation showed that these molecules form stable complexes with β-hCG. RgcbPs-1 maintains hydrogen bonds with Q54, L52, Q46, C100, G36, C57, C38 residues, RgcbPs-2 maintains hydrogen bonds with A83 residue, RgcbPs-3 maintains hydrogen bonds with C57, Y58, R94, G101 residues and RgcbPs-4 maintains hydrogen bonds with G36, C38, T40, C57, D99, C100, G101 and L104 residues of β-hCG all of which coincide with the TGFβRII binding site on β-hCG. These results show that these two inhibitors could be used either singly or in combination for inhibiting β-hCG from binding to TGFβRII and thereby directly inhibiting the tumorigenesis pathway.

Keywords: β-hCG, breast cancer, dynamic simulations, molecular docking, small molecule inhibitors, virtual screening.

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Authors: Tesfay Gebremicheal Reda, K. Samatha, Paul Douglas Sanasi, D. Parajuli

Abstract:

Nanoparticle technology is fast progressing and is being employed in innumerable medical applications. At this time, the public's health is seriously threatened by the rise of bacterial strains resistant to several medications. Metal nanoparticles are a potential alternate approach for tackling this global concern, and this is the main focus of this study. The citrate precursor sol-gel synthesis method was used to synthesize the Niₓ Co₁₋ₓ Fe₂ O₄, (where x = 0.0:0.2:1.0) nanoparticle. XRD identified the development of the cubic crystal structure to have a preferential orientation along (311), and the average particle size was found to be 29-38 nm. The average crystallizes assessed with ImageJ software and origin 22 of the SEM are nearly identical to the XRD results. In the created NCF NPs, the FT-IR spectroscopy reveals structural examinations and the redistribution of cations between octahedral (505-428 cm⁻¹) and tetrahedral (653-603 cm⁻¹) locales. As the Co²⁺ cation is substituted with Ni²⁺, the coercive fields HC decrease from 2384 Oe to 241.93 Oe. Band gap energy rises as Ni concentration increases, which may be attributed to the fact that the ionic radii of Ni²⁺ ions are smaller than that of Co²⁺ ions, which results in a strong electrostatic interaction. On the contrary, except at x = 0.4, the dielectric constant decreases as the nickel concentration increases. According to the findings of this research work, nanoparticles are composed of Ni₀.₄ Co₀.₆ Fe₂ O₄ have demonstrated a promising value against S. aureus and E. coli, and it suggests a proposed model for their potential use as a source of antibacterial agent.

Keywords: antimicrobial, band gap, citrate precursor, dielectric, nanoparticle

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Authors: Magdalena Suśniak, Joanna Karwan-Baczewska

Abstract:

Microstructure and tribological properties of AlSi5Cu2 matrix composite reinforced with SiC have been studied by microscopic examination and basic tribological properties. Composite material was produced by the mechanical alloying and spark plasma sintering (SPS) technique. The mixture of AlSi5Cu2 chips with 0, 10, 15 wt. % of SiC powder were placed in 250 ml mixing jar and milled 40 hours. To prevent the extreme cold welding the 1 wt. % of stearic acid was added to the powder mixture as a process control agent. Mechanical alloying provide to obtain composites powder with uniform distribution of SiC in matrix. Composite powders were poured into a graphite and a pulsed electric current was passed through powder under vacuum to consolidate material. Processing conditions were: sintering temperature 450°C, uniaxial pressure 32MPa, time of sintering 5 minutes. After SPS process composite samples indicate higher hardness values, lower weight loss, and lower coefficient of friction as compared with the unreinforced alloy. Light microscope micrograph of the worn surfaces and wear debris revealed that in the unreinforced alloy the prominent wear mechanism was the adhesive wear. In the AlSi5Cu2/SiC composites, by increasing of SiC the wear mechanism changed from adhesive and micro-cutting to abrasive and delamination for composite with 20 SiC wt. %. In all the AlSi5Cu2/SiC composites, abrasive wear was the main wear mechanism.

Keywords: aluminum matrix composite, mechanical alloying, spark plasma sintering, AlSi5Cu2/SiC composite

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Authors: Qiuhu Shao

Abstract:

Community home-based care service system, which is based on the family pension, supported by community pension and supplied by institutions pension, is an effective pension system to solve the current situation of China's accelerated aging. However, due to the fundamental realities of our country, the government is not able to bear the unilateral supply of the old-age service of the community. Therefore, based on the theory of welfare pluralism, the participation of social organizations in the home-based care service center has become an important part of the diversified supply of the old-age service for the elderly. Meanwhile, the home-based care service industry is still in the early stage, the management is relatively rough, which resulted in a large number of social resources waste. Thus, scientific, objective and long-term implementation is needed for social organizations to participate in home-based care services to guide its performance management. In order to realize the design of the performance management system, the author has done a research work that clarifies the research status of social organization's participation in home-based care service. Relevant theories such as welfare pluralism, community care theory, and performance management theory have been used to demonstrate the feasibility of data envelopment analysis method in social organization performance research. This paper analyzes the characteristics of the operation mode of the home-based care service center, and hackles the national as well as local documents, standards and norms related to the development of the home-based care industry, particularly studies those documents in Nanjing. Based on this, the paper designed a set of performance management PDCA system for home-based care service center in Nanjing and clarified each step of the system in detail. Subsequently, the research methods of performance evaluation and performance management and feedback, which are two core steps of performance management have been compared and screened in order to establish the overall framework of the performance management system of the home-based care service center. Through a large number of research, the paper summarized and analyzed the characteristics of the home-based care service center. Based on the research results, combined with the practice of the industry development in Nanjing, the paper puts forward a targeted performance evaluation index system of home-based care service center in Nanjing. Finally, the paper evaluated and sub-filed the performance of 186 home-based care service centers in Nanjing and then designed the performance optimization direction and performance improvement path based on the results. This study constructs the index system of performance evaluation of home-based care service and makes the index detailed to the implementation level, and constructs the evaluation index system which can be applied directly. Meanwhile, the quantitative evaluation of social organizations participating in the home-based care service changed the subjective impression in the previous practice of evaluation.

Keywords: data envelopment analysis, home-based care, performance management, social organization

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Authors: O. E. Akay, E. Güzel, M. T. Özcan

Abstract:

The pepper has quite a rich variety. The development of a single harvesting machine for all kinds of peppers is a difficult research topic. By development of harvesting mechanisms, we could be able to facilitate the pepper harvesting problems. In this study, an experimental harvesting machine was designed for chili pepper. Four-bar mechanism was used for the design of the prototype harvesting machine. At the result of harvest trials, 80% of peppers were harvested and 8% foreign materials were collected. These results have provided some tips on how to apply to large-scale pepper Four-bar mechanism of the harvest machine.

Keywords: kinematic simulation, four bar linkage, harvest mechanization, pepper harvest

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Authors: Saeed Farhadypour, Majid Azadi, Habibolla Sayyari, Mahmood Mosavi, Shahram Irani, Aliakbar Bidokhti, Omid Alizadeh Choobari, Ziba Hamidi

Abstract:

In the recent decades, frequencies of dust events have increased significantly in west and south west of Iran. First, a survey on the dust events during the period (1990-2013) is investigated using historical dust data collected at 6 weather stations scattered over west and south-west of Iran. After statistical analysis of the observational data, one of the most severe dust storm event that occurred in the region from 3rd to 6th July 2009, is selected and analyzed. WRF-Chem model is used to simulate the amount of PM10 and how to transport it to the areas. The initial and lateral boundary conditions for model obtained from GFS data with 0.5°×0.5° spatial resolution. In the simulation, two aerosol schemas (GOCART and MADE/SORGAM) with 3 options (chem_opt=106,300 and 303) were evaluated. Results of the statistical analysis of the historical data showed that south west of Iran has high frequency of dust events, so that Bushehr station has the highest frequency between stations and Urmia station has the lowest frequency. Also in the period of 1990 to 2013, the years 2009 and 1998 with the amounts of 3221 and 100 respectively had the highest and lowest dust events and according to the monthly variation, June and July had the highest frequency of dust events and December had the lowest frequency. Besides, model results showed that the MADE / SORGAM scheme has predicted values and trends of PM10 better than the other schemes and has showed the better performance in comparison with the observations. Finally, distribution of PM10 and the wind surface maps obtained from numerical modeling showed that the formation of dust plums formed in Iraq and Syria and also transportation of them to the West and Southwest of Iran. In addition, comparing the MODIS satellite image acquired on 4th July 2009 with model output at the same time showed the good ability of WRF-Chem in simulating spatial distribution of dust.

Keywords: dust storm, MADE/SORGAM scheme, PM10, WRF-Chem

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Authors: Emmanuel Agunloye, Asterios Gavriilidis, Luca Mazzei

Abstract:

Gold nanoparticles are commonly synthesized by reducing chloroauric acid with sodium citrate. This method, referred to as the citrate method, can produce spherical gold nanoparticles (NPs) in the size range 10-150 nm. Gold NPs of this size are useful in many applications. However, the NPs are usually polydisperse and irreproducible. A better understanding of the synthesis mechanisms is thus required. This work thoroughly investigated the only model that describes the synthesis. This model combines mass and population balance equations, describing the NPs synthesis through a sequence of chemical reactions. Chloroauric acid reacts with sodium citrate to form aurous chloride and dicarboxy acetone. The latter organizes aurous chloride in a nucleation step and concurrently degrades into acetone. The unconsumed precursor then grows the formed nuclei. However, depending on the pH, both the precursor and the reducing agent react differently thus affecting the synthesis. In this work, we investigated the model for different conditions of pH, temperature and initial reactant concentrations. To solve the model, we used Parsival, a commercial numerical code, whilst to test it, we considered various conditions studied experimentally by different researchers, for which results are available in the literature. The model poorly predicted the experimental data. We believe that this is because the model does not account for the acid-base properties of both chloroauric acid and sodium citrate.

Keywords: citrate method, gold nanoparticles, Parsival, population balance equations, Turkevich organizer theory

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Authors: Temesgen Geremew

Abstract:

ZnS/glass and CdS/glass single layers and ZnS/CdS and CdS/ZnS heterojunction thin films were deposited by the chemical bath deposition method using zinc acetate and cadmium acetate as the metal ion sources and thioacetamide as a nonmetallic ion source in acidic medium. Na2EDTA was used as a complexing agent to control the free cation concentration. +e single layer and heterojunction thin films were characterized with X-ray diffraction (XRD), a scanning electron microscope (SEM), energy dispersive X-ray (EDX), and a UV-VIS spectrometer. +e XRD patterns of the CdS/glass thin film deposited on the soda lime glass substrate crystalized in the cubic structure with a single peak along the (111) plane. +e ZnS/CdS heterojunction and ZnS/glass single layer thin films were crystalized in the hexagonal ZnS structure. +e CdS/ZnS heterojunction thin film is nearly amorphous.The optical analysis results confirmed single band gap values of 2.75 eV and 2.5 eV for ZnS/CdS and CdS/ZnS heterojunction thin films, respectively. +e CdS/glass and CdS/ZnS thin films have more imaginary dielectric components than the real part. The optical conductivity of the single layer and heterojunction films is in the order of 1015 1/s. +e optical study also confirmed refractive index values between 2 and 2.7 for ZnS/glass, ZnS/CdS, and CdS/ZnS thin films for incident photon energies between 1.2 eV and 3.8 eV. +e surface morphology studies revealed compacted spherical grains covering the substrate surfaces with few cracks on ZnS/glass, ZnS/CdS, and CdS/glass and voids on CdS/ZnS thin films. +e EDX result confirmed nearly 1 :1 metallic to nonmetallic ion ratio in the single-layered thin films and the dominance of Zn ion over Cd ion in both ZnS/CdS and CdS/ZnS heterojunction thin films.

Keywords: SERS, sensor, Hg2+, water detection, polythiophene

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Authors: Muhammad Ajmal, Muhammad Siddiq, Nurettin Sahiner

Abstract:

We prepared poly(methacrylic acid-co-acrylonitrile) (p(MAc-co-AN)) microgels by inverse suspension polymerization, and converted the nitrile groups into amidoxime groups to obtain more hydrophilic amidoximated poly(methacrylic acid-co-acrylonitile) (amid-p(MAc-co-AN)) microgels. Amid-microgels were used as microreactors for in situ synthesis of copper and cobalt nanoparticles. Cu (II) and Co (II) ions were loaded into microgels from their aqueous metal salt solutions and then converted to corresponding metal nanoparticle (MNP) by treating the loaded metal ions with sodium borohydride (NaBH4). The characterization of the prepared microgels and microgel metal nanoparticle composites was carried out by SEM, TEM and TG analysis. The amounts of metal nanoparticles within microgels were estimated by AAS measurements by dissolving the MNP entrapped within microgels by concentrated HCl acid treatment. Catalytic performances of the prepared amid-p(MAc-co-AN)-M (M: Cu, Co) microgel composites were investigated by using them as catalyst for the degradation of cationic and anionic organic dyes such as eosin Y (EY), methylene blue (MB) and methyl Orange (MO), and for the reduction of nitro aromatic pollutants like 2-nitrophenol (2-NP) and 4-nitrophenol (4-NP) to their corresponding amino phenols. Here, we also report for the first time, the simultaneous degradation/reduction of MB, EY, and 4-NP by amid-p(MAc-co-AN)-Cu microgel composites. Different parameters affecting the reduction rates such as metal types, amount of catalysts, temperature and the amount of reducing agent were investigated.

Keywords: microgels, nanoparticles, catalyst, pollutants

Procedia PDF Downloads 349