Search results for: computational methods

Authors: Yang-Kuei Lin, Yin-Yi Chou

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In this research, we have considered operating room scheduling problem. The objective is to minimize total operating cost. The total operating cost includes idle cost and overtime cost. We have proposed a dispatching rule that can guarantee to find feasible solutions for the studied problem efficiently. We compared the proposed dispatching rule with the optimal solutions found by solving Inter Programming, and other solutions found by using modified existing dispatching rules. The computational results indicates that the proposed heuristic can find near optimal solutions efficiently.

Keywords: assignment, dispatching rule, operation rooms, scheduling

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Authors: Michael Brazley

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Virtual Reality (VR) and 3D videos are the most current generation of learning technology today. Virtual Reality and 3D videos are being used in professional offices and Schools now for marketing and education. Technology in the field of design has progress from two dimensional drawings to 3D models, using computers and sophisticated software. Virtual Reality is being used as collaborative means to allow designers and others to meet and communicate inside models or VR platforms using avatars. This research proposes to teach students from different backgrounds how to take a digital model into a 3D video, then into VR, and finally VR with multiple avatars communicating with each other in real time. The next step would be to develop the model where people from three or more different locations can meet as avatars in real time, in the same model and talk to each other. This research is longitudinal, studying the use of 3D videos in graduate design and Virtual Reality in XR (Extended Reality) courses. The research methodology is a combination of quantitative and qualitative methods. The qualitative methods begin with the literature review and case studies. The quantitative methods come by way of student’s 3D videos, survey, and Extended Reality (XR) course work. The end product is to develop a VR platform with multiple avatars being able to communicate in real time. This research is important because it will allow multiple users to remotely enter your model or VR platform from any location in the world and effectively communicate in real time. This research will lead to improved learning and training using Virtual Reality and Avatars; and is generalizable because most Colleges, Universities, and many citizens own VR equipment and computer labs. This research did produce a VR platform with multiple avatars having the ability to move and speak to each other in real time. Major implications of the research include but not limited to improved: learning, teaching, communication, marketing, designing, planning, etc. Both hardware and software played a major role in project success.

Keywords: virtual reality, avatars, education, XR

Procedia PDF Downloads 101

Authors: Nazli Darkhal

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The use of gems and ornaments has been common in Iran since the beginning of history. The prosperity of the country, the wealth, and the interest of the people of this land in luxurious and glorious life, combined with beauty, have always attracted the attention of the gems and ornaments of the Iranian people. Iranians are famous in the world for having a long history of collecting and recognizing precious stones. In this case, we can use the unique treasure of national jewelry. Raman spectroscopy method is one of the oscillating spectroscopy methods that is classified in the group of nondestructive study methods, and like other methods, in addition to several advantages, it also has disadvantages and problems. Micro Raman spectroscopy is one of the different types of Raman spectroscopy in which an optical microscope is combined with a Raman device to provide more capabilities and advantages than its original method. In this way, with the help of Raman spectroscopy and a light microscope, while observing more details from different parts of the historical sample, natural or artificial pigments can be identified in a small part of it. The EDX electron microscope also functions as the basis for the interaction of the electron beam with the matter. The beams emitted from this interaction can be used to examine samples. In this article, in addition to introducing the micro Raman spectroscopy method, studies have been conducted on the structure of three samples of existing stones in the historic citadel of Bam. Using this method of study on precious and semi-precious stones, in addition to requiring a short time, can provide us with complete information about the structure and theme of these samples. The results of experiments and gemology of the stones showed that the selected beads are agate and jasper, and they can be placed in the chalcedony group.

Keywords: bam citadel, precious and semi-precious stones, Raman spectroscopy, scanning electron microscope

Procedia PDF Downloads 139

Authors: Abu Hasan, Rochmadi, Hary Sulistyo, Suharto Honggokusumo

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This research purpose is to study the effect of Ingredients mixing sequence in rubber compounding onto the formation of bound rubber and cross link density of natural rubber and also the relationship of bound rubber and cross link density. Analysis of bound rubber formation of rubber compound and cross link density of rubber vulcanizates were carried out on a natural rubber formula having masticated and mixing, followed by curing. There were four methods of mixing and each mixing process was followed by four mixing sequence methods of carbon black into the rubber. In the first method of mixing sequence, rubber was masticated for 5 min and then rubber chemicals and carbon black N 330 were added simultaneously. In the second one, rubber was masticated for 1 min and followed by addition of rubber chemicals and carbon black N 330 simultaneously using the different method of mixing then the first one. In the third one, carbon black N 660 was used for the same mixing procedure of the second one, and in the last one, rubber was masticated for 3 min, carbon black N 330 and rubber chemicals were added subsequently. The addition of rubber chemicals and carbon black into masticated rubber was distinguished by the sequence and time allocated for each mixing process. Carbon black was added into two stages. In the first stage, 10 phr was added first and the remaining 40 phr was added later along with oil. In the second one to the fourth one, the addition of carbon black in the first and the second stage was added in the phr ratio 20:30, 30:20, and 40:10. The results showed that the ingredients mixing process influenced bound rubber formation and cross link density. In the three methods of mixing, the bound rubber formation was proportional with crosslink density. In contrast in the fourth one, bound rubber formation and cross link density had contradictive relation. Regardless of the mixing method operated, bound rubber had non linear relationship with cross link density. The high cross link density was formed when low bound rubber formation. The cross link density became constant at high bound rubber content.

Keywords: bound-rubber, cross-link density, natural rubber, rubber mixing process

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Authors: Rahul Paul, Kedar Nath Das

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The paradigm of Reinforcement Learning (RL) has become prominent in training intelligent agents to make decisions in environments that are both dynamic and uncertain. The primary objective of RL is to optimize the policy of an agent in order to maximize the cumulative reward it receives throughout a given period. Nevertheless, the process of optimization presents notable difficulties as a result of the inherent trade-off between exploration and exploitation, the presence of extensive state-action spaces, and the intricate nature of the dynamics involved. Evolutionary Optimization Methods (EOMs) have garnered considerable attention as a supplementary approach to tackle these challenges, providing distinct capabilities for optimizing RL policies and value functions. The ongoing advancement of research in both RL and EOMs presents an opportunity for significant advancements in autonomous decision-making systems. The convergence of these two fields has the potential to have a transformative impact on various domains of artificial intelligence (AI) applications. This article highlights the considerable influence of EOMs in enhancing the capabilities of RL. Taking advantage of evolutionary principles enables RL algorithms to effectively traverse extensive action spaces and discover optimal solutions within intricate environments. Moreover, this paper emphasizes the practical implementations of EOMs in the field of RL, specifically in areas such as robotic control, autonomous systems, inventory problems, and multi-agent scenarios. The article highlights the utilization of EOMs in facilitating RL agents to effectively adapt, evolve, and uncover proficient strategies for complex tasks that may pose challenges for conventional RL approaches.

Keywords: machine learning, reinforcement learning, loss function, optimization techniques, evolutionary optimization methods

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Authors: Siti Khadijah Che Osmi, Mohammed Ahmad Syed

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Underground tunnels are one of the most popular public facilities for various applications such as transportation, water transfer, network utilities and etc. Experience from the past earthquake reveals that the underground tunnels also become vulnerable components and may damage at certain percentage depending on the level of ground shaking and induced phenomena. In this paper a numerical analysis is conducted in evaluating the sensitivity of two types of circular shallow tunnel lining models to wide ranging changes in the geotechnical design parameter. Critical analysis has been presented about the current methods of analysis, structural typology, ground motion characteristics, effect of soil conditions and associated uncertainties on the tunnel integrity. The response of the tunnel is evaluated through 2D non-linear finite element analysis, which critically assesses the impact of increasing levels of seismic loads. The finding from this study offer significant information on improving methods to assess the vulnerability of underground structures.

Keywords: geotechnical design parameter, seismic response, sensitivity analysis, shallow tunnel

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Authors: Joon-Hoon Park

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In this paper the rationalized Haar transform is applied for distributed parameter system identification and estimation. A distributed parameter system is a dynamical and mathematical model described by a partial differential equation. And system identification concerns the problem of determining mathematical models from observed data. The Haar function has some disadvantages of calculation because it contains irrational numbers, for these reasons the rationalized Haar function that has only rational numbers. The algorithm adopted in this paper is based on the transform and operational matrix of the rationalized Haar function. This approach provides more convenient and efficient computational results.

Keywords: distributed parameter system, rationalized Haar transform, operational matrix, system identification

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Authors: Mohammad Ba’azm

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The self-referentiality method as the missing ring of the Qur’an by Qur’an’s interpretation has a precise application at the level of the Quranic vocabulary, but after entering the domain of the verses, chapters and the whole Qur’an, it reveals its defect. Self-referentiality cannot show the clear concept of the Quranic scriptures, unlike the Qur’an by Qur’an’s interpretation method that guides us to the comprehension and exact hermeneutics. The Qur’an by Qur’an’s interpretation is a solid way of comprehension of the verses of the Qur'an and does not use external resources to provide implications and meanings with different theoretical and practical supports. In this method, theoretical supports are based on the basics and modalities that support and validate the legitimacy and validity of the interpretive method discussed, and the practical supports also relate to the practitioners of the religious elite. The combination of these two methods illustrates the exact understanding of the Qur'an at the level of Quranic verses, chapters, and the whole Qur’an. This study by examining the word 'book' in the Qur'an shows the difference between the two methods, and the necessity of attachment of these, in order to attain a desirable level for comprehensions meaning of the Qur'an. In this article, we have proven that by aspects of the meaning of the Quranic words, we cannot say any word has an exact meaning.

Keywords: Qur’an’s hermeneutic, self-referentiality, The Qur’an by Qur’an’s Interpretation, polysemy

Procedia PDF Downloads 193

Authors: Epameinondas Xanthakis, Erik Kaunisto, Alain Le-Bail, Lilia Ahrné

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Fruits and vegetables are characterized as perishable food matrices due to their short shelf life as several deterioration mechanisms are being involved. Prior to the common preservation methods like freezing or canning, fruits and vegetables are being blanched in order to inactivate deteriorative enzymes. Both conventional blanching pretreatments and conventional freezing methods hide drawbacks behind their beneficial impacts on the preservation of those matrices. Conventional blanching methods may require longer processing times, leaching of minerals and nutrients due to the contact with the warm water which in turn leads to effluent production with large BOD. An important issue of freezing technologies is the size of the formed ice crystals which is also critical for the final quality of the frozen food as it can cause irreversible damage to the cellular structure and subsequently to degrade the texture and the colour of the product. Herein, the developed microwave blanching methodology and the results regarding quality aspects and enzyme inactivation will be presented. Moreover, heat transfer phenomena, mass balance, temperature distribution, and enzyme inactivation (such as Pectin Methyl Esterase and Ascorbic Acid Oxidase) of our microwave blanching approach will be evaluated based on measurements and computer modelling. The present work is part of the COLDμWAVE project which aims to the development of an innovative environmentally sustainable process for blanching and freezing of fruits and vegetables with improved textural and nutritional quality. In this context, COLDµWAVE will develop tailored equipment for MW blanching of vegetables that has very high energy efficiency and no water consumption. Furthermore, the next steps of this project regarding the development of innovative pathways in MW assisted freezing to improve the quality of frozen vegetables, by exploring in depth previous results acquired by the authors, will be presented. The application of MW assisted freezing process on fruits and vegetables it is expected to lead to improved quality characteristics compared to the conventional freezing. Acknowledgments: COLDμWAVE has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie Sklodowska-Curie grand agreement No 660067.

Keywords: blanching, freezing, fruits, microwave blanching, microwave

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Authors: R. S. Fisca, Y. R. Elox, L. Umi, U. Z. Luttfia, Kun Harismah

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Petai (Parkia speciosa) is a plant indigenous to Southeast Asia. It is consumed either raw or cooked. It has been used in folk medicine to treat diabetes, hypertension, and kidney problems. It contains minerals and vitamins. Petai contains a lot of chemical compounds that are beneficial for health, including antioxidants, Vitamin B6 0,9mg, energy 142 g. cal, 10.4 g protein. 2 g fat, 22 g carbohydrates, 95 mg calcium, phosphorus 115 mg, 1 mg iron, 200 IU of vitamin A, vitamin B1 0.17 mg, 36 mg of vitamin C that can resolve various health problems. These chips are the result of innovation from petai packaged in such a way becomes a tasty snack chips and can be enjoyed by many people to relax and also nutritious for health. In the manufacture of petai chips require several steps of them start by boiling, flating, drying and the last frying. In introducing the products widely we sell petai chips with several methods. Some of these methods include direct sales, delivery order, online/social media, and open some booth at a few places and the car free day in Solo every sunday. Opportunity in selling petai chips is very wide because there is no competitors with similar business. With the innovation of petai chips become healthy snacks can be introduced to the public and can even be exported out of the country as one of the extraordinary snacks from Indonesia.

Keywords: antioxidants, chips, healty, petai

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Authors: Paulina Ramirez Leal

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Current debates have examined the effects of market-oriented development on gentrification, as well as the role of urban renewal, interventions, and planning policy in exacerbating this phenomenon. Despite the growing body of research recognizing the social impacts of gentrification, to date, there has been very little research directly investigating how resisting gentrification increases social cohesion, a crucial dimension of urban resilience. This contribution set out to explore these social impacts while identifying the different forms of protest and expressions of resistance to gentrification in Monterrey’s city center. The methods employed include documentary analysis and qualitative methods such as surveys and photographic documentation. Monterrey’s city center's ongoing process of gentrification illustrates the impacts of planning policies, specifically TOD. Some of the unintended consequences of the policy have resulted in inhabitants facing forced inner migration and displacement caused by vandalism of their homes and neighborhoods, as well as losing part of their urban identity.

Keywords: gentrification, social impacts, neighborhood identity, urban resilience, Monterrey’s City Center

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Authors: Xiaoqian Cheng, Jon Kleppe, Ole Torsæter

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The properties of rocks have effects on efficiency of surfactant. One objective of this study is to analyze the effects of rock properties (permeability, porosity, initial water saturation) on surfactant spontaneous imbibition at laboratory scale. The other objective is to evaluate existing upscaling methods and establish a modified upscaling method. A core is put in a container that is full of surfactant solution. Assume there is no space between the bottom of the core and the container. The core is modelled as a cuboid matrix with a length of 3.5 cm, a width of 3.5 cm, and a height of 5 cm. The initial matrix, brine and oil properties are set as the properties of Ekofisk Field. The simulation results of matrix permeability show that the oil recovery rate has a strong positive linear relationship with matrix permeability. Higher oil recovery is obtained from the matrix with higher permeability. One existing upscaling method is verified by this model. The study on matrix porosity shows that the relationship between oil recovery rate and matrix porosity is a negative power function. However, the relationship between ultimate oil recovery and matrix porosity is a positive power function. The initial water saturation of matrix has negative linear relationships with ultimate oil recovery and enhanced oil recovery. However, the relationship between oil recovery and initial water saturation is more complicated with the imbibition time because of the transition of dominating force from capillary force to gravity force. Modified upscaling methods are established. The work here could be used as a reference for the surfactant application in fractured reservoirs. And the description of the relationships between properties of matrix and the oil recovery rate and ultimate oil recovery helps to improve upscaling methods.

Keywords: initial water saturation, permeability, porosity, surfactant EOR

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Authors: J. Miranda, D. Chavarría-Barrientos, M. Ramírez-Cadena, M. E. Macías, P. Ponce, J. Noguez, R. Pérez-Rodríguez, P. K. Wright, A. Molina

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Higher education methods need to evolve because the new generations of students are learning in different ways. One way is by adopting emergent technologies, new learning methods and promoting the maker movement. As a result, Tecnologico de Monterrey is developing Open Innovation Laboratories as an immediate response to educational challenges of the world. This paper presents an Open Innovation Laboratory for Rapid Realization of Sensing, Smart and Sustainable Products (S³ Products). The Open Innovation Laboratory is composed of a set of specific resources where students and teachers use them to provide solutions to current problems of priority sectors through the development of a new generation of products. This new generation of products considers the concepts Sensing, Smart, and Sustainable. The Open Innovation Laboratory has been implemented in different courses in the context of New Product Development (NPD) and Integrated Manufacturing Systems (IMS) at Tecnologico de Monterrey. The implementation consists of adapting this Open Innovation Laboratory within the course’s syllabus in combination with the implementation of specific methodologies for product development, learning methods (Active Learning and Blended Learning using Massive Open Online Courses MOOCs) and rapid product realization platforms. Using the concepts proposed it is possible to demonstrate that students can propose innovative and sustainable products, and demonstrate how the learning process could be improved using technological resources applied in the higher educational sector. Finally, examples of innovative S³ products developed at Tecnologico de Monterrey are presented.

Keywords: active learning, blended learning, maker movement, new product development, open innovation laboratory

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Authors: Zhidong Zhang

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This study established a mixed method model in assessing statistics learning with Bayesian network models. There are three variants in exploratory sequential designs. There are three linked steps in one of the designs: qualitative data collection and analysis, quantitative measure, instrument, intervention, and quantitative data collection analysis. The study used a scoring model of analysis of variance (ANOVA) as a content domain. The research study is to examine students’ learning in both semantic and performance aspects at fine grain level. The ANOVA score model, y = α+ βx1 + γx1+ ε, as a cognitive task to collect data during the student learning process. When the learning processes were decomposed into multiple steps in both semantic and performance aspects, a hierarchical Bayesian network was established. This is a theory-driven process. The hierarchical structure was gained based on qualitative cognitive analysis. The data from students’ ANOVA score model learning was used to give evidence to the hierarchical Bayesian network model from the evidential variables. Finally, the assessment results of students’ ANOVA score model learning were reported. Briefly, this was a mixed method research design applied to statistics learning assessment. The mixed methods designs expanded more possibilities for researchers to establish advanced quantitative models initially with a theory-driven qualitative mode.

Keywords: exploratory sequential design, ANOVA score model, Bayesian network model, mixed methods research design, cognitive analysis

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Authors: K. Maliki, A. Ajayi, O. M. Makanjuola, O. J. Adebowale

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Cocoyam is herbaceous perennial plant which belongs to the family Araceae and genus xanthosoma or cococasia is mostly cultivated as food crop. It is very rich in Vitamin B6, Magnesium and also in dietary fiber. Matured cocoyam is eaten boiled, Fried or roasted in Nigeria. It can also be dried and used to make flour. Food drying is a method of food preservation in which food is dried, thus inhibit the growth of bacteria yeast and mold through the removal of water. Drying effect on the proximate composition and functional properties of cocoyam flour were investigated. Freshly harvested cocoyam cultivars at matured level were washed with portable water, peeled, sliced into 0.3mm thickness blanch in boiling water at 100°C for 15 minutes and dried using sun drying oven and cabinet dryers. The blanched slices were divided into three lots and were subjected to different drying methods. The dried cocoyam slices were milled into flour using Apex mill and packed into Low Density Polyethylene Film (LDPE) 75 Micron 4 thickness and kept for four months under ambient temperature before analysis. The results showed that the moisture content, ash, crude fiber, fat, protein and carbohydrate ranged from 7.35% to 13.89%, 1.45% to 3.3%, 1.2% to 3.41%, 2.1% to 3.1%, 6.30% to 9.1% and 66% to 82% respectively. The functional properties of the cocoyam flour ranged from 1. 65ml/g to 4.24ml/g water absorption capacity, 0.85ml/g to 2.11ml/g oil absorption capacity 0.56ml/g and 0.78ml/g bulk density and 4.91% to 6.80% swelling capacity. The result showed that there was not significant difference (P ≥ 0.5) across the various drying methods used. Cabinet drying method was found to have the best quality characteristic values than the other drying methods. In conclusion, drying of cocoyam could be used for value addition and provide extension to shelf-life.

Keywords: cocoyam flour, drying, cabinet dryer, oven dryer

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Authors: Guangzhuang Yu, Chun-Chu Liu

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With the advent of the Internet era in recent years, social music education has gradually shifted from the original entity education mode to the mode of entity plus network teaching. No matter for school music education, professional music education or social music education, the teaching quality is the most important evaluation index. Regarding the research on teaching quality evaluation, scholars at home and abroad have contributed a lot of research results on the basis of multiple methods and evaluation subjects. However, to our best knowledge the complete evaluation model for the virtual teaching interaction mode of the emerging network music education Application (APP) has not been established. This research firstly found out the basic dimensions that accord with the teaching quality required by the three parties, constructing the quality evaluation index system; and then, on the basis of expounding the connotation of each index, it determined the weight of each index by using method of fuzzy analytic hierarchy process, providing ideas and methods for scientific, objective and comprehensive evaluation of the teaching quality of network education APP.

Keywords: network music education APP, teaching quality evaluation, index and connotation

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Authors: W. Swiderski

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Composite materials are one answer to the growing demand for materials with better parameters of construction and exploitation. Composite materials also permit conscious shaping of desirable properties to increase the extent of reach in the case of metals, ceramics or polymers. In recent years, composite materials have been used widely in aerospace, energy, transportation, medicine, etc. Fiber-reinforced composites including carbon fiber, glass fiber and aramid fiber have become a major structural material. The typical defect during manufacture and operation is delamination damage of layered composites. When delamination damage of the composites spreads, it may lead to a composite fracture. One of the many methods used in non-destructive testing of composites is active infrared thermography. In active thermography, it is necessary to deliver energy to the examined sample in order to obtain significant temperature differences indicating the presence of subsurface anomalies. To detect possible defects in composite materials, different methods of thermal stimulation can be applied to the tested material, these include heating lamps, lasers, eddy currents, microwaves or ultrasounds. The use of a suitable source of thermal stimulation on the test material can have a decisive influence on the detection or failure to detect defects. Samples of multilayer structure carbon composites were prepared with deliberately introduced defects for comparative purposes. Very thin defects of different sizes and shapes made of Teflon or copper having a thickness of 0.1 mm were screened. Non-destructive testing was carried out using the following sources of thermal stimulation, heating lamp, flash lamp, ultrasound and eddy currents. The results are reported in the paper.

Keywords: Non-destructive testing, IR thermography, composite material, thermal stimulation

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Authors: Anandkumar S. Purohit

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Introduction: Amblyopia is a serious condition resulting in monocular impairment of vision. Although traditional treatment improves vision, we attempted the results of perceptual learning in this study. Methods: The prospective cohort study included all patients with amblyopia who were subjected to perceptual learning. The presenting data on vision, stereopsis, and contrast sensitivity were documented in a pretested online format, and the pre‑ and post‑treatment information was compared using descriptive, cross‑tabulation, and comparative methods on SPSS 22. Results: The cohort consisted of 47 patients (23 females and 24 males) with a mean age of 14.11 ± 7.13 years. A significant improvement was detected in visual acuity after the PL sessions, and the median follow‑up period was 17 days. Stereopsis improved significantly in all age groups. Conclusion: PL with hand-eye coordination is an effective method for managing amblyopia. This approach can improve vision in all age groups.

Keywords: amblyopia, perceptual learning, hand-eye coordination, visual acuity, stereopsis, contrast sensitivity, ophthalmology

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Authors: Ionel Zagan, Vasile Gheorghita Gaitan

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The development of CPUs and of real-time systems based on them made it possible to use time at increasingly low resolutions. Together with the scheduling methods and algorithms, time organizing has been improved so as to respond positively to the need for optimization and to the way in which the CPU is used. This presentation contains both a detailed theoretical description and the results obtained from research on improving the performances of the nMPRA (Multi Pipeline Register Architecture) processor by implementing specific functions in hardware. The proposed CPU architecture has been developed, simulated and validated by using the FPGA Virtex-7 circuit, via a SoC project. Although the nMPRA processor hardware structure with five pipeline stages is very complex, the present paper presents and analyzes the tests dedicated to the implementation of the CPU and of the memory on-chip for instructions and data. In order to practically implement and test the entire SoC project, various tests have been performed. These tests have been performed in order to verify the drivers for peripherals and the boot module named Bootloader.

Keywords: hardware scheduler, nMPRA processor, real-time systems, scheduling methods

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Authors: Sameh Frikha, Mohamed Salah Abid

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We investigate the performance of an integrated cascade (IC) refrigeration system which uses environment friendly zeotropic mixtures. Computational calculation has been carried out by varying pressure level at the evaporator and the condenser of the system. Effects of mass flow rate of the refrigerant on the coefficient of performance (COP) are presented. We show that the integrated cascade system produces ultra-low temperatures in the evaporator by using environment friendly zeotropic mixture.

Keywords: coefficient of performance, environment friendly zeotropic mixture, integrated cascade, ultra low temperature, vapor compression refrigeration cycles

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Authors: Jafar Akbari

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Quinolines are very important compounds partially because of their pharmacological properties which include wide applications in medicinal chemistry. notable among them are antimalarial drugs, anti-inflammatory agents, antiasthamatic, antibacterial, antihypertensive, and tyrosine kinase inhibiting agents. Despite quinoline usage in pharmaceutical and other industries, comparatively few methods for their preparation have been reported.The Friedlander annulation is one of the simplest and most straightforward methods for the synthesis of poly substituted quinolines. Although, modified methods employing lewis or br¢nsted acids have been reported for the synthesis of quinolines, the development of water stable acidic catalyst for quinoline synthesis is quite desirable. One of the most remarkable features of ionic liquids is that the yields can be optimized by changing the anions or the cations. Recently, sulfonic acid functionalized ionic liquids were used as solvent-catalyst for several organic reactions. We herein report the one pot domino approach for the synthesis of quinoline derivatives in Friedlander manner using TSIL as a catalyst. These ILs are miscible in water, and their homogeneous system is readily separated from the reaction product, combining advantages of both homogeneous and heterogeneous catalysis. In this reaction, the catalyst plays a dual role; it ensures an effective condensation and cyclization of 2-aminoaryl ketone with second carbonyl group and it also promotes the aromatization to the final product. Various types of quinolines from 2-aminoaryl ketones and β-ketoesters/ketones were prepared in 85-98% yields using the catalytic system of SO3-H functionalized ionic liquid/H2O. More importantly, the catalyst could be easily recycled for five times without loss of much activity.

Keywords: antimalarial drugs, green chemistry, ionic liquid, quinolines

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Authors: Md. Fazlul Karim, Ashik Sharfaraz, Aysha Ferdoushi

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Background: Computational medicinal chemistry approaches are used for designing and identifying new drug-like molecules, predicting properties and pharmacological activities, and optimizing lead compounds in drug development. SIRT7, a nicotinamide adenine dinucleotide (NAD+)-dependent deacylase which regulates aging, is an emerging target for cancer therapy with mounting evidence that SIRT7 downregulation plays important roles in reversing cancer phenotypes and suppressing tumor growth. Activation or altered expression of SIRT7 is associated with the progression and invasion of various cancers, including liver, breast, gastric, prostate, and non-small cell lung cancer. Objectives: The goal of this work was to identify potent and selective bioactive candidate inhibitors of SIRT7 by in silico screening of small molecule compounds obtained from Nigella sativa (N. sativa). Methods: SIRT7 structure was retrieved from The Research Collaboratory for Structural Bioinformatics Protein Data Bank (RCSB PDB), and its active site was identified using CASTp and metaPocket. Molecular docking simulation was performed with PyRx 0.8 virtual screening software. Drug-likeness properties were tested using SwissADME and pkCSM. In silico toxicity was evaluated by Osiris Property Explorer. Bioactivity was predicted by Molinspiration software. Antitumor activity was screened for Prediction of Activity Spectra for Substances (PASS) using Way2Drug web server. Molecular dynamics (MD) simulation was carried out by Desmond v3.6 package. Results: A total of 159 bioactive compounds from the N. Sativa were screened against the SIRT7 enzyme. Five bioactive compounds: chrysin (CID:5281607), pinocembrin (CID:68071), nigellidine (CID:136828302), nigellicine (CID:11402337), and epicatechin (CID:72276) were identified as potent SIRT7 anti-cancer candidates after docking score evaluation and applying Lipinski's Rule of Five. Finally, MD simulation identified Chrysin as the top SIRT7 anti-cancer candidate molecule. Conclusion: Chrysin, which shows a potential inhibitory effect against SIRT7, can act as a possible anti-cancer drug candidate. This inhibitor warrants further evaluation to check its pharmacokinetics and pharmacodynamics properties both in vitro and in vivo.

Keywords: SIRT7, antitumor, molecular docking, molecular dynamics simulation

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Authors: Cheng-Jui Li, Chien-Chou Tseng

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This study adopts Computational Fluid Dynamics (CFD) technique to build the multiphase flow numerical model where the interface between the flue gas and desulfurization liquid can be traced by Eulerian-Eulerian model. Inside the tower, the contact of the desulfurization liquid flow from the spray nozzles and flue gas flow can trigger chemical reactions to remove the sulfur dioxide from the exhaust gas. From experimental observations of the industrial scale plant, the desulfurization mechanism depends on the mixing level between the flue gas and the desulfurization liquid. In order to significantly improve the desulfurization efficiency, the mixing efficiency and the residence time can be increased by perforated sieve trays. Hence, the purpose of this research is to investigate the flow structure of sieve trays for the flue gas desulfurization by numerical simulation. In this study, there is an outlet at the top of FGD tower to discharge the clean gas and the FGD tower has a deep tank at the bottom, which is used to collect the slurry liquid. In the major desulfurization zone, the desulfurization liquid and flue gas have a complex mixing flow. Because there are four perforated plates in the major desulfurization zone, which spaced 0.4m from each other, and the spray array is placed above the top sieve tray, which includes 33 nozzles. Each nozzle injects desulfurization liquid that consists of the Mg(OH)2 solution. On each sieve tray, the outside diameter, the hole diameter, and the porosity are 0.6m, 20 mm and 34.3%. The flue gas flows into the FGD tower from the space between the major desulfurization zone and the deep tank can finally become clean. The desulfurization liquid and the liquid slurry goes to the bottom tank and is discharged as waste. When the desulfurization solution flow impacts the sieve tray, the downward momentum will be converted to the upper surface of the sieve tray. As a result, a thin liquid layer can be developed above the sieve tray, which is the so-called the slurry layer. And the volume fraction value within the slurry layer is around 0.3~0.7. Therefore, the liquid phase can't be considered as a discrete phase under the Eulerian-Lagrangian framework. Besides, there is a liquid column through the sieve trays. The downward liquid column becomes narrow as it interacts with the upward gas flow. After the flue gas flows into the major desulfurization zone, the flow direction of the flue gas is upward (+y) in the tube between the liquid column and the solid boundary of the FGD tower. As a result, the flue gas near the liquid column may be rolled down to slurry layer, which developed a vortex or a circulation zone between any two sieve trays. The vortex structure between two sieve trays results in a sufficient large two-phase contact area. It also increases the number of times that the flue gas interacts with the desulfurization liquid. On the other hand, the sieve trays improve the two-phase mixing, which may improve the SO2 removal efficiency.

Keywords: Computational Fluid Dynamics (CFD), Eulerian-Eulerian Model, Flue Gas Desulfurization (FGD), perforated sieve tray

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Authors: Boukhatem Mohamed Nadjib, Ferhat Mohamed Amine

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Essential Oils (EO) produced by medicinal plants have been traditionally used for respiratory tract infections and are used nowadays as ethical medicines for colds. The aim of this study was to test the efficacy of the Algerian EGEO against some respiratory tract pathogens by disc diffusion and vapour diffusion methods at different concentrations. The chemical composition of the EGEO was analysed by Gas Chromatography-Mass Spectrometry. Fresh leaves of E. globulus on steam distillation yielded 0.96% (v/w) of essential oil whereas the analysis resulted in the identification of a total of 11 constituents, 1.8 cineole (85.8%), α-pinene (7.2%) and β-myrcene (1.5%) being the main components. By disc diffusion method, EGEO showed potent antimicrobial activity against Gram-positive more than Gram-negative bacteria. The Diameter of Inhibition Zone (DIZ) varied from 69 mm to 75 mm for Staphylococcus aureus and Bacillus subtilis (Gram +) and from 13 to 42 mm for Enterobacter sp and Escherichia coli (Gram-), respectively. However, the results obtained by both agar diffusion and vapour diffusion methods were different. Significantly higher antibacterial activity was observed in the vapour phase at lower concentrations. A. baumanii and Klebsiella pneumoniae were the most susceptible strains to the oil vapour with DIZ varied from 38 to 42 mm. Therefore, smaller doses of EO in the vapour phase can be inhibitory to pathogenic bacteria. Else, the DIZ increased with increase in the concentration of the oil. There is growing evidence that EGEO in the vapour phase are effective antibacterial systems and appears worthy to be considered for practical uses in the treatment or prevention of patients with respiratory tract infections or as air decontaminants in the hospital. The present study indicates that EGEO has considerable antimicrobial activity, deserving further investigation for clinical applications.

Keywords: eucalyptus globulus, essential oils, respiratory tract pathogens, antimicrobial activity, vapour phase

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Authors: Muhammad Faizan Rehman Qureshi, Ahmed Al-Kaisy

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Accurate estimation of traffic loads is critical for pavement and bridge design, among other transportation applications. Given the disproportional impact of heavier axle loads on pavement and bridge structures, truck and heavy vehicle traffic is expected to be a major determinant of traffic load estimation. Further, heavy vehicle traffic is also a major input in transportation planning and economic studies. The traditional method for estimating heavy vehicle traffic primarily relies on AADT estimation using Monthly Day of the Week (MDOW) adjustment factors as well as the percent heavy vehicles observed using statewide data collection programs. The MDOW factors are developed using daily and seasonal (or monthly) variation patterns for total traffic, consisting predominantly of passenger cars and other smaller vehicles. Therefore, while using these factors may yield reasonable estimates for total traffic (AADT), such estimates may involve a great deal of approximation when applied to heavy vehicle traffic. This research aims at assessing the approximation involved in estimating heavy vehicle traffic using MDOW adjustment factors for total traffic (conventional approach) along with three other methods of using MDOW adjustment factors for total trucks (class 5-13), combination-unit trucks (class 8-13), as well as adjustment factors for each vehicle class separately. Results clearly indicate that the conventional method was outperformed by the other three methods by a large margin. Further, using the most detailed and data intensive method (class-specific adjustment factors) does not necessarily yield a more accurate estimation of heavy vehicle traffic.

Keywords: traffic loads, heavy vehicles, truck traffic, adjustment factors, traffic data collection

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Authors: Mina Rabipour, Elena Pallaske, Floyd Hassenrück, Rocio Rebollido-Rios

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Protein tyrosine kinases, including Lyn kinase of the Src family kinases (SFK), regulate cell proliferation, survival, and differentiation. Lyn kinase has been implicated in various cancers, positioning it as a promising therapeutic target. However, the conserved ATP-binding pocket across SFKs makes developing selective inhibitors challenging. This study aims to address this limitation by exploring the potential for allosteric modulation of Lyn kinase, focusing on how its structural dynamics and specific oncogenic mutations impact its conformation and function. To achieve this, we combined homology modeling, molecular dynamics simulations, and data science techniques to conduct microsecond-length simulations. Our approach allowed a detailed investigation into the interplay between Lyn’s catalytic and regulatory domains, identifying key conformational states involved in allosteric regulation. Additionally, we evaluated the structural effects of Dasatinib, a competitive inhibitor, and ATP binding on Lyn active conformation. Notably, our simulations show that cancer-related mutations, specifically I364L/N and E290D/K, shift Lyn toward an inactive conformation, contrasting with the active state of the wild-type protein. This may suggest how these mutations contribute to aberrant signaling in cancer cells. We conducted a dynamical network analysis to assess residue-residue interactions and the impact of mutations on the Lyn intramolecular network. This revealed significant disruptions due to mutations, especially in regions distant from the ATP-binding site. These disruptions suggest potential allosteric sites as therapeutic targets, offering an alternative strategy for Lyn inhibition with higher specificity and fewer off-target effects compared to ATP-competitive inhibitors. Our findings provide insights into Lyn kinase regulation and highlight allosteric sites as avenues for selective drug development. Targeting these sites may modulate Lyn activity in cancer cells, reducing toxicity and improving outcomes. Furthermore, our computational strategy offers a scalable approach for analyzing other SFK members or kinases with similar properties, facilitating the discovery of selective allosteric modulators and contributing to precise cancer therapies.

Keywords: lyn tyrosine kinase, mutation analysis, conformational changes, dynamic network analysis, allosteric modulation, targeted inhibition

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Authors: Gumilar Hadiningrat, Stewart Barr, Jo Little

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In Indonesia, the majority of those who manage food waste are women. It is Indonesian culture that women act as household managers. Therefore, women as household managers hold an important role in reducing food waste within households. Meanwhile, in the community, women’s organisations are some of the most active organisations dealing with food waste. Food waste has an increasing profile and is the subject of much global attention and have economic, social and environmental impacts. Reducing food waste will improve future food availability in the context of global population growth and increasing resource scarcity. The aim of this research is to investigate women’s experience and understanding of dealing with food waste in the household and in the community. The research will use an inductive approach using in-depth qualitative methods. In terms of data collection, two methods will be used - questionnaire and interviews. All in all, it could be claimed that women, both within the household and the community in Indonesia, hold an important role in dealing with food waste.

Keywords: community waste management, food waste, gender, household waste, waste management

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Authors: S. Jurado, E. Pazmino

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Determination of the medial axis of a porous media sample is a non-trivial problem of interest for several disciplines, e.g., hydrology, fluid dynamics, contaminant transport, filtration, oil extraction, etc. However, the computational tools available for researchers are limited and restricted. The primary aim of this work was to develop a series of algorithms to extract porosity, medial axis structure, and pore-throat size distributions from porous media domains. A complementary objective was to provide the algorithms as free computational software available to the academic community comprising researchers and students interested in 3D data processing. The burn algorithm was tested on porous media data obtained from High-Resolution X-Ray Microtomography (HRXMT) and idealized computer-generated domains. The real data and idealized domains were discretized in voxels domains of 550³ elements and binarized to denote solid and void regions to determine porosity. Subsequently, the algorithm identifies the layer of void voxels next to the solid boundaries. An iterative process removes or 'burns' void voxels in sequence of layer by layer until all the void space is characterized. Multiples strategies were tested to optimize the execution time and use of computer memory, i.e., segmentation of the overall domain in subdomains, vectorization of operations, and extraction of single burn layer data during the iterative process. The medial axis determination was conducted identifying regions where burnt layers collide. The final medial axis structure was refined to avoid concave-grain effects and utilized to determine the pore throat size distribution. A graphic user interface software was developed to encompass all these algorithms, including the generation of idealized porous media domains. The software allows input of HRXMT data to calculate porosity, medial axis, and pore-throat size distribution and provide output in tabular and graphical formats. Preliminary tests of the software developed during this study achieved medial axis, pore-throat size distribution and porosity determination of 100³, 320³ and 550³ voxel porous media domains in 2, 22, and 45 minutes, respectively in a personal computer (Intel i7 processor, 16Gb RAM). These results indicate that the software is a practical and accessible tool in postprocessing HRXMT data for the academic community.

Keywords: medial axis, pore-throat distribution, porosity, porous media

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Authors: Kristine Dzagnidze

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The paper equally centers on both the structural and cognitive linguistics in light of phraseologism and its emotional implication. Accordingly, the methods elaborated within the framework of both the systematic-structural and linguo-cognitive theories are identically relevant to the research of mine. In other words, through studying the negotiation process, our attention is drawn upon defining negotiations’ peculiarities, emotion, style and specifics of cognition, motives, aims, contextual characterizations and the quality of cultural context and integration. Besides, the totality of the concepts and methods is also referred to, which is connected with the stage of the development of the emotional linguistic thinking. The latter contextually correlates with the dominance of anthropocentric–communicative paradigm. The synthesis of structuralistic and cognitive perspectives has turned out to be relevant to our research, carried out in the form of intellectual action, that is, on the one hand, the adequacy of the research purpose to the expected results. On the other hand, the validity of methodology for formulating the objective conclusions needed for emotional connotation beyond phraseologism. The mechanism mentioned does not make a claim about a discovery of a new truth. Though, it gives the possibility of a novel interpretation of the content in existence.

Keywords: cognitivism, communication, implication, negotiation

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Authors: Amit Kumar, Jaikumar V, Pradeep AG, Shivakumar Bhavi

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Reducing sloshing is one of the major challenges in industries where transporting of liquid involved. The present study investigates the sloshing effect for different liquid levels 25%, 50%, and 75% of the tank capacity. CFD simulation for three different liquid levels has been carried out using a time-based multiphase Volume of fluid (VOF) scheme. Baffles were introduced to examine the sloshing effect inside the tank. Results were compared against the baseline case to assess the effectiveness of baffles. Maximum liquid height over the period of the simulation was considered as the parameter for measuring the sloshing effect inside the tank. It was found that the addition of baffles reduced the sloshing effect inside the tank as compared to the baseline model.

Keywords: sloshing, CFD, VOF, baffles

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