Search results for: cost of energy (COE) tool

Authors: Amanda T. Badaró, Douglas F. Barbin, Sofia T. Garcia, Maria Teresa P. S. Clerici, Amanda R. Ferreira

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Food fortification is the intentional addition of a nutrient in a food matrix and has been widely used to overcome the lack of nutrients in the diet or increasing the nutritional value of food. Fortified food must meet the demand of the population, taking into account their habits and risks that these foods may cause. Wheat and its by-products, such as semolina, has been strongly indicated to be used as a food vehicle since it is widely consumed and used in the production of other foods. These products have been strategically used to add some nutrients, such as fibers. Methods of analysis and quantification of these kinds of components are destructive and require lengthy sample preparation and analysis. Therefore, the industry has searched for faster and less invasive methods, such as Near-Infrared Spectroscopy (NIR). NIR is a rapid and cost-effective method, however, it is based on indirect measurements, yielding high amount of data. Therefore, NIR spectroscopy requires calibration with mathematical and statistical tools (Chemometrics) to extract analytical information from the corresponding spectra, as Principal Component Analysis (PCA) and Linear Discriminant Analysis (LDA). PCA is well suited for NIR, once it can handle many spectra at a time and be used for non-supervised classification. Advantages of the PCA, which is also a data reduction technique, is that it reduces the data spectra to a smaller number of latent variables for further interpretation. On the other hand, LDA is a supervised method that searches the Canonical Variables (CV) with the maximum separation among different categories. In LDA, the first CV is the direction of maximum ratio between inter and intra-class variances. The present work used a portable infrared spectrometer (NIR) for identification and classification of pure and fiber-fortified semolina samples. The fiber was added to semolina in two different concentrations, and after the spectra acquisition, the data was used for PCA and LDA to identify and discriminate the samples. The results showed that NIR spectroscopy associate to PCA was very effective in identifying pure and fiber-fortified semolina. Additionally, the classification range of the samples using LDA was between 78.3% and 95% for calibration and 75% and 95% for cross-validation. Thus, after the multivariate analysis such as PCA and LDA, it was possible to verify that NIR associated to chemometric methods is able to identify and classify the different samples in a fast and non-destructive way.

Keywords: Chemometrics, fiber, linear discriminant analysis, near-infrared spectroscopy, principal component analysis, semolina

Procedia PDF Downloads 196

Authors: Athena Nguyen, Rojin Belganeh

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In recycling plastics industries, waste plastics are converted into monomers and other useful molecules by chemical reactions. Thermal energy generated by incineration is recovered when waste plastics melt. During the process, Flame retardants containing products get in, and brominated flame retardants (BFRs) are often used to reduce the flammability of products. Some of the originally formulated brominated flame retardants additives are restricted by the RoHS Directive, such as PBDE and PBB. The determination of BFRs other than those restricted by the RoHS directive is required. Frontier Lab developed a pyrolyzer based on the vertical micro-furnace design. The multi-mode pyrolyzer with different modes of operations, including evolve gas analysis (EGA), flash pyrolysis, thermal desorption, heart cutting, allows users to choose among the techniques for their analysis purposes. The method requires very little sample preparation. The first step is to perform an EGA using temperature programs. This technique provides information about the thermal temperature behaviors of the sample. The EGA thermogram is then used to determine the next steps in the analysis process. In this presentation, with an Optimal thermal temperature zone identified based on EGA thermogram, thermal desorption GC/MS is a chosen technique for the determination of brominated flame retardants in recycled plastic toys. Five types of general-purpose brominated flame retardants other than those restricted by the RoHS Directive are determined by the standard addition method.

Keywords: gas chromatography/mass spectrometry, pyrolysis, pyrolyzer, thermal desorption-GC/MS

Procedia PDF Downloads 171

Authors: Veniamin Boiarkin, Bruno Bogaz Zarpelão, Muttukrishnan Rajarajan

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The manufacturing sector is a vital component of most economies, which leads to a large number of cyberattacks on organisations, whereas disruption in operation may lead to significant economic consequences. Adversaries aim to disrupt the production processes of manufacturing companies, gain financial advantages, and steal intellectual property by getting unauthorised access to sensitive data. Access to sensitive data helps organisations to enhance the production and management processes. However, the majority of the existing data-sharing mechanisms are either susceptible to different cyber attacks or heavy in terms of computation overhead. In this paper, a privacy-preserving data-sharing scheme for smart utilities is proposed. First, a customer’s privacy adjustment mechanism is proposed to make sure that end-users have control over their privacy, which is required by the latest government regulations, such as the General Data Protection Regulation. Secondly, a local differential privacy-based mechanism is proposed to ensure the privacy of the end-users by hiding real data based on the end-user preferences. The proposed scheme may be applied to different industrial control systems, whereas in this study, it is validated for energy utility use cases consisting of smart, intelligent devices. The results show that the proposed scheme may guarantee the required level of privacy with an expected relative error in utility.

Keywords: data-sharing, local differential privacy, manufacturing, privacy-preserving mechanism, smart utility

Procedia PDF Downloads 59

Authors: Nizamuddin Zainuddin, Adam Mohd Saifudin, Ahmad Yusni Bahaudin, Mohd Hanizan Zalazilah, Roslan Jamaluddin

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Students’ enhanced experience through simulation is a crucial factor that brings reality to the classroom. The enhanced experience is all about developing, enriching and applications of a generic process flow in the field of logistics and transportations. As educational technology has improved, the effective use of simulations has greatly increased to the point where simulations should be considered a valuable, mainstream pedagogical tool. Additionally, in this era of ongoing (some say never-ending) assessment, simulations offer a rich resource for objective measurement and comparisons. Simulation is not just another in the long line of passing fads (or short-term opportunities) in educational technology. It is rather a real key to helping our students understand the world. It is a way for students to acquire experience about how things and systems in the world behave and react, without actually touching them. In short, it is about interactive pretending. Simulation is all about representing the real world which includes grasping the complex issues and solving intricate problems. Therefore, it is crucial before stimulate the real process of inbound and outbound logistics and transportation a generic process flow shall be developed. The paper will be focusing on the validization of the process flow by looking at the inputs gains from the sample. The sampling of the study focuses on multi-national and local manufacturing companies, third party companies (3PL) and government agency, which are selected in Peninsular Malaysia. A simulation flow chart was proposed in the study that will be the generic flow in logistics and transportation. A qualitative approach was mainly conducted to gather data in the study. It was found out from the study that the systems used in the process of outbound and inbound are System Application Products (SAP) and Material Requirement Planning (MRP). Furthermore there were some companies using Enterprises Resources Planning (ERP) and Electronic Data Interchange (EDI) as part of the Suppliers Own Inventories (SOI) networking as a result of globalized business between one countries to another. Computerized documentations and transactions were all mandatory requirement by the Royal Custom and Excise Department. The generic process flow will be the basis of developing a simulation program that shall be used in the classroom with the objective of further enhanced the students’ learning experience. Thus it will contributes to the body of knowledge on the enrichment of the student’s employability and also shall be one of the way to train new workers in the logistics and transportation filed.

Keywords: enhancement, simulation, process flow, logistics, transportation

Procedia PDF Downloads 318

Authors: Pingrong Liao

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Currently, as China is in the stage of rapid urbanization, a large number of rural population have flown into the city and it is urgent to solve the housing problem. Xiamen is the typical city of China characterized by high housing price and low-income. Due to the government failed to provide adequate public cheap housing, a large number of immigrants dwell in the informal rental housing represented by the "city village". Comfortable housing is the prerequisite for the harmony and stability of the city. Therefore, with "city village" and the affordable housing as the main object of study, this paper makes an analysis on the housing status, personnel distribution and mobility of the "city village" of Xiamen, and also carries out a primary research on basic facilities such as the residential form and commercial, property management services, with the combination of the existing status of the affordable housing in Xiamen, and finally summary and comparison are made by the author in an attempt to provide some references and experience for the construction and improvement of the government-subsidized housing to improve the residential quality of the urban-poverty stricken people. In this paper, the data and results are collated and quantified objectively based on the relevant literature, the latest market data and practical investigation as well as research methods of comparative study and case analysis. Informal rental housing, informal economy and informal management of "city village" as social-housing units in many ways fit in the housing needs of the floating population, providing a convenient and efficient condition for the flowing of people. However, the existing urban housing in Xiamen have some drawbacks, for example, the housing are unevenly distributed, the spatial form is single, the allocation standard of public service facilities is not targeted to the subsidized object, the property management system is imperfect and the cost is too high, therefore, this paper draws lessons from the informal model of city village”, and finally puts forward some improvement strategies.

Keywords: urban problem, urban village, affordable housing, living mode, Xiamen constructing

Procedia PDF Downloads 231

Authors: J. Szpor, K. Witczak, M. Storman, A. Orchel, D. Hodorowicz-Zaniewska, K. Okoń, A. Klimkowska

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Core needle biopsy (CNB) is well established as an important diagnostic tool in diagnosing breast cancer and it is now considered the initial method of choice for diagnosing breast disease. In comparison to fine needle aspiration (FNA), CNB provides more architectural information allowing for the evaluation of prognostic and predictive factors for breast cancer, including histological grade—one of three prognostic factors used to calculate the Nottingham Prognostic Index. Several studies have previously described the concordance rate between CNB and surgical excision specimen in determination of histological grade (HG). The concordance rate previously ascribed to overall grade varies widely across literature, ranging from 59-91%. The aim of this study is to see how the data looks like in material at authors’ institution and are the results as compared to those described in previous literature. The study population included 157 women with a breast tumor who underwent a core needle biopsy for breast carcinoma and a subsequent surgical excision of the tumor. Both materials were evaluated for the determination of histological grade (scale from 1 to 3). HG was assessed only in core needle biopsies containing at least 10 well preserved HPF with invasive tumor. The degree of concordance between CNB and surgical excision specimen for the determination of tumor grade was assessed by Cohen’s kappa coefficient. The level of agreement between core needle biopsy and surgical resection specimen for overall histologic grading was 73% (113 of 155 cases). CNB correctly predicted the grade of the surgical excision specimen in 21 cases for grade 1 tumors (Kappa coefficient κ = 0.525 95% CI (0.3634; 0.6818), 52 cases for grade 2 (Kappa coefficient κ = 0.5652 95% CI (0.458; 0.667) and 40 cases for stage 3 tumors (Kappa coefficient κ = 0.6154 95% CI (0.4862; 0.7309). The highest level of agreement was observed in grade 3 malignancies. In 9 of 42 (21%) discordant cases, the grade was higher in the CNB than in the surgical excision. This composed 6% of the overall discordance. These results correspond to the noted in the literature, showing that underestimation occurs more frequently than overestimation. This study shows that authors’ institution’s histologic grading of CNBs and surgical excisions shows a fairly good correlation and is consistent with findings in previous reports. Despite the inevitable limitations of CNB, CNB is an effective method for diagnosing breast cancer and managing treatment options. Assessment of tumour grade by CNB is useful for the planning of treatment, so in authors’ opinion it is worthy to implement it in daily practice.

Keywords: breast cancer, concordance, core needle biopsy, histological grade

Procedia PDF Downloads 216

Authors: O. Ubani, H. I. Atagana, M. S. Thantsha, R. Adeleke

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The oil sludge components (polycyclic aromatic hydrocarbons, PAHs) have been found to be cytotoxic, mutagenic and potentially carcinogenic and microorganisms such as bacteria and fungi can degrade the oil sludge to less toxic compounds such as carbon dioxide, water and salts. In the present study, we isolated different bacteria with PAH-degrading potentials from the co-composting of oil sludge and different animal manure. These bacteria were isolated on the mineral base medium and mineral salt agar plates as a growth control. A total of 31 morphologically distinct isolates were carefully selected from 5 different compost treatments for identification using polymerase chain reaction (PCR) of the 16S rDNA gene with specific primers (16S-P1 PCR and 16S-P2 PCR). The amplicons were sequenced and sequences were compared with the known nucleotides from the gene bank database. The phylogenetical analyses of the isolates showed that they belong to 3 different clades namely Firmicutes, Proteobacteria and Actinobacteria. These bacteria identified were closely related to genera Bacillus, Arthrobacter, Staphylococcus, Brevibacterium, Variovorax, Paenibacillus, Ralstonia and Geobacillus species. The results showed that Bacillus species were more dominant in all treated compost piles. Based on their characteristics these bacterial isolates have high potential to utilise PAHs of different molecular weights as carbon and energy sources. These identified bacteria are of special significance in their capacity to emulsify the PAHs and their ability to utilize them. Thus, they could be potentially useful for bioremediation of oil sludge and composting processes.

Keywords: bioaugmentation, biodegradation, bioremediation, composting, oil sludge, PAHs, animal manures

Procedia PDF Downloads 237

Authors: Federico Garrido, Mostafa El Hayani, Ahmed Shams

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The exploration of the potential of artificial intelligence (AI) in architecture is still embryonic, however, its latent capacity to change design disciplines is significant. 'Synthetic Classism' is a research project that questions the underlying aspects of classically organized architecture not just in aesthetic terms but also from a geometrical and morphological point of view, intending to generate new architectural information using historical examples as source material. The main aim of this paper is to explore the uses of artificial intelligence and machine learning algorithms in architectural design while creating a coherent narrative to be contained within a design process. The purpose is twofold: on one hand, to develop and train machine learning algorithms to produce architectural information of small pavilions and on the other, to synthesize new information from previous architectural drawings. These algorithms intend to 'interpret' graphical information from each pavilion and then generate new information from it. The procedure, once these algorithms are trained, is the following: parting from a line profile, a synthetic 'front view' of a pavilion is generated, then using it as a source material, an isometric view is created from it, and finally, a top view is produced. Thanks to GAN algorithms, it is also possible to generate Front and Isometric views without any graphical input as well. The final intention of the research is to produce isometric views out of historical information, such as the pavilions from Sebastiano Serlio, James Gibbs, or John Soane. The idea is to create and interpret new information not just in terms of historical reconstruction but also to explore AI as a novel tool in the narrative of a creative design process. This research also challenges the idea of the role of algorithmic design associated with efficiency or fitness while embracing the possibility of a creative collaboration between artificial intelligence and a human designer. Hence the double feature of this research, both analytical and creative, first by synthesizing images based on a given dataset and then by generating new architectural information from historical references. We find that the possibility of creatively understand and manipulate historic (and synthetic) information will be a key feature in future innovative design processes. Finally, the main question that we propose is whether an AI could be used not just to create an original and innovative group of simple buildings but also to explore the possibility of fostering a novel architectural sensibility grounded on the specificities on the architectural dataset, either historic, human-made or synthetic.

Keywords: architecture, central pavilions, classicism, machine learning

Procedia PDF Downloads 128

Authors: Reina Kawase, Yuzuru Matsuoka

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To mitigate climate change, to reduce CO2 emission from steel sector, energy intensive sector, is essential. One of the effective countermeasure is recycling of iron scrap and shifting to electric arc furnace. This research analyzes the feasibility of iron scrap recycling with considering demand-supply balance and quantifies the effective by CO2 emission reduction. Generally, the quality of steel made from iron scrap is lower than the quality of steel made from basic oxygen furnace. So, the constraint of demand side is goods-wise steel demand and that of supply side is generation of iron scap. Material Stock and Flow Model (MSFM_demand) was developed to estimate goods-wise steel demand and generation of iron scrap and was applied to 35 regions which aggregated countries in the world for 2005-2050. The crude steel production was estimated under two case; BaU case (No countermeasures) and CM case (With countermeasures). For all the estimation periods, crude steel production is greater than generation of iron scrap. This makes it impossible to substitute electric arc furnaces for all the basic oxygen furnaces. Even though 100% recycling rate of iron scrap, under BaU case, CO2 emission in 2050 increases by 12% compared to that in 2005. With same condition, 32% of CO2 emission reduction is achieved in CM case. With a constraint from demand side, the reduction potential is 6% (CM case).

Keywords: iron scrap recycling, CO2 emission reduction, steel demand, MSFM demand

Procedia PDF Downloads 535

Authors: Tennah Safia, Azzag Naouelle, Derdour Salima, Hafsi Fella, Laouadi Mourad, Laamari Abdalouahab, Ghalmi Farida, Kafidi Nacerredine

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Currently, goat farming is widely practiced among the rural population of Algeria. Although milk yield of goats is low (110 liters per goat and per year on average), this milk partly ensures the feeding of small children and provides raw milk, curd, and fermented milk to the whole family. In addition, given its investment cost, which is ten times lower than that of a cow, this level of production is still of interest. This interest is reinforced by the qualities of goat's milk, highly sought after for its nutritional value superior to that of cow's milk. In the same way, its aptitude for the transformation, in particular in quality cheeses, is very sought after. The objective of this study is to give the situation of goat milk production in rural areas of Algeria and to establish a classification of goat breeds according to their production potential. For this, a survey was carried out with goat farmers in Algerian steppe. Three indigenous breeds were encountered in this study: the breed Arabia, Mozabite, and Mekatia; Arabia being the most dominant. The Mekatia breed and the Mozabite breed appear to have higher production and milking abilities than other local breeds. They are therefore indicated to play the role of local dairy breeds par excellence. The other breed that could be improved milk performance is the Arabia breed. There, however, the milk performance of this breed is low. However, in order to increase milk production, uncontrolled crosses with imported breeds (mainly Saanen and Alpine) were carried out. The third population that can be included in the category for dairy production is the dairy breed group of imported origin. There are farms in Algeria composed of Alpine and Saanen breeds born locally. Improved milk performance of local goats, Crusader population, and dairy breeds of imported origin could be done by selection. For this, it is necessary to set up a milk control to detect the best animals. This control could be carried out among interested farmers in each large goat breeding area. In conclusion, sustained efforts must be made to enable the sustainable development of the goat sector in Algeria. It will, therefore, be necessary to deepen the reflection on a national strategy to valorize goat's milk, taking into account the specificities of the environment, the genetic biodiversity, and the eating habits of the Algerian consumer.

Keywords: goat, milk, Algeria, biodiversity

Procedia PDF Downloads 167

Authors: Madhawa Basnayaka, Jouni Paltakari

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Fully passive backscattering chipless RFID tags are an emerging wireless technology with low cost, higher reading distance, and fast automatic identification without human interference, unlike already available technologies like optical barcodes. The design optimization of chipless RFID tags is crucial as it requires replacing integrated chips found in conventional RFID tags with printed geometric designs. These designs enable data encoding and decoding through backscattered electromagnetic (EM) signatures. The applications of chipless RFID tags have been limited due to the constraints of data encoding capacity and the ability to design accurate yet efficient configurations. The traditional approach to accomplishing design parameters for a desired EM response involves iterative adjustment of design parameters and simulating until the desired EM spectrum is achieved. However, traditional numerical simulation methods encounter limitations in optimizing design parameters efficiently due to the speed and resource consumption. In this work, a deep learning neural network (DNN) is utilized to establish a correlation between the EM spectrum and the dimensional parameters of nested centric rings, specifically square and octagonal. The proposed bi-directional DNN has two simultaneously running neural networks, namely spectrum prediction and design parameters prediction. First, spectrum prediction DNN was trained to minimize mean square error (MSE). After the training process was completed, the spectrum prediction DNN was able to accurately predict the EM spectrum according to the input design parameters within a few seconds. Then, the trained spectrum prediction DNN was connected to the design parameters prediction DNN and trained two networks simultaneously. For the first time in chipless tag design, design parameters were predicted accurately after training bi-directional DNN for a desired EM spectrum. The model was evaluated using a randomly generated spectrum and the tag was manufactured using the predicted geometrical parameters. The manufactured tags were successfully tested in the laboratory. The amount of iterative computer simulations has been significantly decreased by this approach. Therefore, highly efficient but ultrafast bi-directional DNN models allow rapid and complicated chipless RFID tag designs.

Keywords: artificial intelligence, chipless RFID, deep learning, machine learning

Procedia PDF Downloads 29

Authors: Yasser Mahmoudi, Nader Karimi

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The present work investigates numerically the effect of thermal radiation from the solid phase on the rate of heat transfer inside a porous medium. Forced convection heat transfer process within a pipe filled with a porous media is considered. The Darcy-Brinkman-Forchheimer model is utilized to represent the fluid transport within the porous medium. A local thermal non-equilibrium (LTNE), two-equation model is used to represent the energy transport for the solid and fluid phases. The radiative heat transfer equation is solved by discrete ordinate method (DOM) to compute the radiative heat flux in the porous medium. Two primary approaches (models A and B) are used to represent the boundary conditions for constant wall heat flux. The effects of radiative heat transfer on the Nusselt numbers of the two phases are examined by comparing the results obtained by the application of models A and B. The fluid Nusselt numbers calculated by the application of models A and B show that the Nusselt number obtained by model A for the radiative case is higher than those predicted for the non-radiative case. However, for model B the fluid Nusselt numbers obtained for the radiative and non-radiative cases are similar.

Keywords: porous media, local thermal non-equilibrium, forced convection heat transfer, thermal radiation, Discrete Ordinate Method (DOM)

Procedia PDF Downloads 311

Authors: C. J. Rossouw, T. I. van Niekerk

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The global manufacturing industry is utilizing the internet and cloud-based services to further explore the anatomy and optimize manufacturing processes in support of the movement into the Fourth Industrial Revolution (4IR). The 4IR from a third world and African perspective is hindered by the fact that many manufacturing systems that were developed in the third industrial revolution are not inherently equipped to utilize the internet and services of the 4IR, hindering the progression of third world manufacturing industries into the 4IR. This research focuses on the development of a non-invasive and cost-effective cyber-physical IoT system that will exploit a machine’s vibration to expose semantic characteristics in the manufacturing process and utilize these results through a real-time cloud-based machine condition monitoring system with the intention to optimize the system. A microcontroller-based IoT sensor was designed to acquire a machine’s mechanical vibration data, process it in real-time, and transmit it to a cloud-based platform via Wi-Fi and the internet. Time-frequency Fourier analysis was applied to the vibration data to form an image representation of the machine’s behaviour. This data was used to train a Convolutional Neural Network (CNN) to learn semantic characteristics in the machine’s behaviour and relate them to a state of operation. The same data was also used to train a Convolutional Autoencoder (CAE) to detect anomalies in the data. Real-time edge-based artificial intelligence was achieved by deploying the CNN and CAE on the sensor to analyse the vibration. A cloud platform was deployed to visualize the vibration data and the results of the CNN and CAE in real-time. The cyber-physical IoT system was deployed on a semi-automated metal granulation machine with a set of trained machine learning models. Using a single sensor, the system was able to accurately visualize three states of the machine’s operation in real-time. The system was also able to detect a variance in the material being granulated. The research demonstrates how non-IoT manufacturing systems can be equipped with edge-based artificial intelligence to establish a remote machine condition monitoring system.

Keywords: IoT, cyber-physical systems, artificial intelligence, manufacturing, vibration analytics, continuous machine condition monitoring

Procedia PDF Downloads 78

Authors: Yu-Ju Hsieh, Lin-Hung Lin, Wen-Hui Chang

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This study was designed as an interventional research and intended to validate whether the introduction of drinking vinegar every day can reduce and even prevent urinary tract infection in Taiwan home stayed disabilities who using indwelling catheter. The data was collected from the subjects who have received home care case at northern Taiwan, according to the questionnaire and a medical records retroactive methodology, the subjects were informed and consent to drink 15ml of table vinegar in a daily diet, and through routine urine testing and culture study. Home care nurses would assist collecting urine at the point of before and after a meal from total 35 studied subjects per month, and total collected 4 times for testing. The results showed that when the average age of study subjects was 65.46 years and catheter indwelling time was 15 years, drinking table vinegar could inhibit the activity of E. coli O157: H7 and reduce its breeding. Before drinking table vinegar daily, the subjects’ urine pH value was 7.0-8.0, and the average was 7.5, and the urine PH value dropped to 6.5 after drinking table vinegar for a month. There were two purple urine cases whose urine were changed from purple to normal color after two weeks of drinking, and the protein and bacteria values of urine gradually improved. Urine smell unpleasant before attending to this study, and the symptom improved significantly only after 1 week, and the urine smell returned to normal ammonia and became clean after 1 month later. None of these subjects received treatment in a hospital due to urinary tract infection, and there were no signs of bleeding in all cases during this study. The subjects of this study are chronic patients with a long-term bedridden catheterization; drinking cranberry juice is an economic burden for them, and also highly prohibited for diabetes patients. By adapting to use cheaper table vinegar to acidified urine and improve its smell and ease Purple Urine Syndrome, to furthermore, proven urinary tract infection, it can also to reduce the financial burden on families, the cost of social resources and the rate of re-admission.

Keywords: table vinegar, urinary tract infection, disability patients, long-term indwelling catheter

Procedia PDF Downloads 251

Authors: Sumit Kumar

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The present study aims to identify the factors responsible for the internal migration of students other than push & pull factors; associated with the source region and destination region, respectively, as classified in classical geography. But in this classification of factors responsible for the migration of students, an agency of individual and the family he/she belongs to, have not been recognized which has later become the centre of the argument for describing and analyzing migration in New Economic theory of migration and New Economics of labour migration respectively. In this backdrop, the present study aims to understand the agency of an individual and the family members regarding one’s migration for higher education. Therefore, this study draws upon New Economic theory of migration and New Economics of labour migration for identifying the agency of individual or family in the context of migration. Further, migration for higher education consists not only the decision to migrate but also where to migrate (location), which university, which college and which course to pursue, also. In order to understand the role of various individuals at various stage of student migration, present study seeks help from the social networking approach for migration which identifies the individuals who facilitate the process of migration by reducing negative externalities of migration through sharing information and various other sorts of help to the migrant. Furthermore, this study also aims to rank those individuals who have helped migrants at various stages of migration for higher education in taking a decision, along with the factors responsible for their migration on the basis of their perception. In order to fulfill the above mentioned objectives of this study, quantification of qualitative data (perception of respondents) has been done employing through frequency distribution analysis. Qualitative data has been collected at two levels but questionnaire survey was the tool for data collection at both the occasions. Twenty five students who have migrated to other state for the purpose of higher education have been approached for pre-questionnaire survey consisting open-ended questions while one hundred students belonging to the same clientele have been approached for questionnaire survey consisting close-ended questions. This study has identified social pressure, peer group pressure and parental pressure; variables not constituting push & pull factors, very important for students’ migration. They have been even assigned better ranked by the respondents than push factors. Further, self (migrant themselves) have been ranked followed by parents by the respondents when it comes to take various decisions attached with the process of migration. Therefore, it can be said without sounding cynical that there are other factors other than push & pull factors which do facilitate the process of migration for higher education not only at the level to migrate but also at other levels intrinsic to the process of migration for higher education.

Keywords: agency, migration for higher education, perception, push and pull factors

Procedia PDF Downloads 222

Authors: Yuchen Chen, Dehong Li, Bin Li, Denis Rodrigue, Xiaodong (Alice) Wang

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When selecting insulation materials, not only should their thermal efficiency be considered, but also their impact on the environment. Compared to conventional insulation materials, bio-based materials not only have comparable thermal performance, but they also have a lower embodied energy. Sheep wool has the advantages of low negative health impact, high fire resistance, eco-friendliness, and high moisture resistance. However, studies on applying sheep wool insulation in cold and humid climates are still insufficient. The purpose of this study is to simulate the hygrothermal performance of sheep wool insulation for the Quebec City climate, as well as analyze the mold growth risks. The results show that a sheep wool wall has better thermal performance than a reference wall and that both meet the minimum requirements of the Quebec Code for the thermal performance of above-ground walls. The total water content indicates that the sheep wool wall can reach dynamic equilibrium in the Quebec climate and can dry out. At the same time, a delay of almost four months in the maximum total water content indicates that the sheep wool wall has high moisture absorption compared to the reference wall. The hygrothermal profiles show that the sheathing-insulation interface of both walls is at the highest risk for condensation. When the interior surface gypsum was replaced by stucco, the mold index significantly dropped.

Keywords: sheep wool, water content, hygrothermal performance, mould growth risk

Procedia PDF Downloads 69

Authors: Usman Abubakar, Xiaoyuan Wang, Sayyed Haleem Shah, Sadiq Ur Rahman, Rabiu Saleh Zakariyya

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High-speed Permanent magnet synchronous machine (HSPMSM) uses in different industrial applications like blowers, compressors as a result of its superb performance. Nevertheless, the over-temperature rise of both winding and PM is one of their substantial problem for a high-power HSPMSM, which affects its lifespan and performance. According to the literature, HSPMSM with a Hybrid cooling configuration has a much lower temperature rise than non-hybrid cooling. This paper presents the design 185kW, 26K rpm with two different cooling configurations, i.e., hybrid cooling configuration (forced air and housing spiral water jacket) and non-hybrid (forced air cooling assisted with winding’s potting material and sleeve’s material) to enhance the heat dissipation of winding and PM respectively. Firstly, the machine’s electromagnetic design is conducted by the finite element method to accurately account for machine losses. Then machine’s cooling configurations are introduced, and their effectiveness is validated by lumped parameter thermal network (LPTN). Investigation shows that using potting, sleeve materials to assist non-hybrid cooling configuration makes the machine’s winding and PM temperature closer to hybrid cooling configuration. Therefore, the machine with non-hybrid cooling is prototyped and tested due to its simplicity, lower energy consumption and can still maintain the lifespan and performance of the HSPMSM.

Keywords: airflow network, axial ventilation, high-speed PMSM, thermal network

Procedia PDF Downloads 212

Authors: Bi Xiao Fang, Tan Bao Zhen

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Soft skills, core competencies, and generic competencies are exchangeable terminologies often used to represent a similar concept. In the Singapore context, such skills are currently being referred to as Critical Core Skills (CCS). In 2019, SkillsFuture Singapore (SSG) reviewed the Generic Skills and Competencies (GSC) framework that was first introduced in 2016, culminating in the development of the Critical Core Skills (CCS) framework comprising 16 soft skills classified into three clusters. The CCS framework is part of the Skills Framework, and whose stated purpose is to create a common skills language for individuals, employers and training providers. It is also developed with the objectives of building deep skills for a lean workforce, enhance business competitiveness and support employment and employability. This further helps to facilitate skills recognition and support the design of training programs for skills and career development. According to SSG, every job role requires a set of technical skills and a set of Critical Core Skills to perform well at work, whereby technical skills refer to skills required to perform key tasks of the job. There has been an increasing emphasis on soft skills for the future of work. A recent study involving approximately 80 organizations across 28 sectors in Singapore revealed that more enterprises are beginning to recognize that soft skills support their employees’ performance and business competitiveness. Though CCS is of high importance for the development of the workforce’s employability, there is little attention paid to the CCS use and profiling across occupations. A better understanding of how CCS is distributed across the economy will thus significantly enhance SSG’s career guidance services as well as training providers’ services to graduates and workers and guide organizations in their hiring for soft skills. This CCS profiling study sought to understand how CCS is demanded in different occupations. To achieve its research objectives, this study adopted a quantitative method to measure CCS use across different occupations in the Singaporean workforce. Based on the CCS framework developed by SSG, the research team adopted a formative approach to developing the CCS profiling tool to measure the importance of and self-efficacy in the use of CCS among the Singaporean workforce. Drawing on the survey results from 2500 participants, this study managed to profile them into seven occupation groups based on the different patterns of importance and confidence levels of the use of CCS. Each occupation group is labeled according to the most salient and demanded CCS. In the meantime, the CCS in each occupation group, which may need some further strengthening, were also identified. The profiling of CCS use has significant implications for different stakeholders, e.g., employers could leverage the profiling results to hire the staff with the soft skills demanded by the job.

Keywords: employability, skills profiling, skills measurement, soft skills

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Authors: Kasra Afsahi, Maryam Soheilifar, S. Hossein Hosseini

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Background: There is growing evidence that Cerebral Vascular Accident (CVA) can be a consequence of Covid-19 infection. Understanding novel treatment approaches are important in optimizing patient outcomes. Case: This case explores the use of Virtual Reality (VR) in the treatment of a 23-year-old COVID-positive female presenting with left hemiparesis in August 2020. Imaging showed right globus pallidus, thalamus, and internal capsule ischemic stroke. Conventional rehabilitation was started two weeks later, with virtual reality (VR) included. This game-based virtual reality (VR) technology developed for stroke patients was based on upper extremity exercises and functions for stroke. Physical examination showed left hemiparesis with muscle strength 3/5 in the upper extremity and 4/5 in the lower extremity. The range of motion of the shoulder was 90-100 degrees. The speech exam showed a mild decrease in fluency. Mild lower lip dynamic asymmetry was seen. Babinski was positive on the left. Gait speed was decreased (75 steps per minute). Intervention: Our game-based VR system was developed based on upper extremity physiotherapy exercises for post-stroke patients to increase the active, voluntary movement of the upper extremity joints and improve the function. The conventional program was initiated with active exercises, shoulder sanding for joint ROMs, walking shoulder, shoulder wheel, and combination movements of the shoulder, elbow, and wrist joints, alternative flexion-extension, pronation-supination movements, Pegboard and Purdo pegboard exercises. Also, fine movements included smart gloves, biofeedback, finger ladder, and writing. The difficulty of the game increased at each stage of the practice with progress in patient performances. Outcome: After 6 weeks of treatment, gait and speech were normal and upper extremity strength was improved to near normal status. No adverse effects were noted. Conclusion: This case suggests that VR is a useful tool in the treatment of a patient with covid-19 related CVA. The safety of newly developed instruments for such cases provides new approaches to improve the therapeutic outcomes and prognosis as well as increased satisfaction rate among patients.

Keywords: covid-19, stroke, virtual reality, rehabilitation

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Authors: Yuanxiaoyue Yang

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Emissions trading, or ‘cap-and-trade', has been long promoted by economists as a more cost-effective pollution control approach than traditional performance standard approaches. While there is a large body of empirical evidence for the overall effectiveness of emissions trading, relatively little attention has been paid to other unintended consequences brought by emissions trading. One important consequence is that cap-and-trade could introduce the risk of creating high-level emission concentrations in areas where emitting facilities purchase a large number of emission allowances, which may cause an unequal distribution of environmental benefits. This study will contribute to the current environmental policy literature by linking trading activity with environmental injustice concerns and empirically analyzing the causal relationship between trading activity and emissions reduction under a cap-and-trade program for the first time. To investigate the potential environmental injustice concern in cap-and-trade, this paper uses a differences-in-differences (DID) with instrumental variable method to identify the causal effect of allowance trading behaviors on emission reduction levels under the clean air interstate rule (CAIR), a cap-and-trade program targeting on the power sector in the eastern US. The major data source is the facility-year level emissions and allowance transaction data collected from US EPA air market databases. While polluting facilities from CAIR are the treatment group under our DID identification, we use non-CAIR facilities from the Acid Rain Program - another NOx control program without a trading scheme – as the control group. To isolate the causal effects of trading behaviors on emissions reduction, we also use eligibility for CAIR participation as the instrumental variable. The DID results indicate that the CAIR program was able to reduce NOx emissions from affected facilities by about 10% more than facilities who did not participate in the CAIR program. Therefore, CAIR achieves excellent overall performance in emissions reduction. The IV regression results also indicate that compared with non-CAIR facilities, purchasing emission permits still decreases a CAIR participating facility’s emissions level significantly. This result implies that even buyers under the cap-and-trade program have achieved a great amount of emissions reduction. Therefore, we conclude little evidence of environmental injustice from the CAIR program.

Keywords: air pollution, cap-and-trade, emissions trading, environmental justice

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Authors: Benjamin Mugisha Bugingo

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Healthcare staffhas been considered as asignificant pillar to the health care system. However, the contest of human resources for health in terms of the turnover of health workers in Uganda has been more distinct in the latest years. The objective of the paper, therefore, were to investigate the influence Role Human resource management functions in on employeeperformance of professional health workers in public district hospitals in Kampala. The study objectives were: to establish the effect of performance management function, financialincentives, non-financial incentives, participation, and involvement in the decision-making on the employee performance of professional health workers in public district hospitals in Kampala. The study was devised in the social exchange theory and the equity theory. This study adopted a descriptive research design using quantitative approaches. The study used a cross-sectional research design with a mixed-methods approach. With a population of 402 individuals, the study considered a sample of 252 respondents, including doctors, nurses, midwives, pharmacists, and dentists from 3 district hospitals. The study instruments entailed a questionnaire as a quantitative data collection tool and interviews and focus group discussions as qualitative data gathering tools. To analyze quantitative data, descriptive statistics were used to assess the perceived status of Human resource management functions and the magnitude of intentions to stay, and inferential statistics were used to show the effect of predictors on the outcome variable by plotting a multiple linear regression. Qualitative data were analyzed in themes and reported in narrative and verbatim quotes and were used to complement descriptive findings for a better understanding of the magnitude of the study variables. The findings of this study showed a significant and positive effect of performance management function, financialincentives, non-financial incentives, and participation and involvement in decision-making on employee performance of professional health workers in public district hospitals in Kampala. This study is expected to be a major contributor for the improvement of the health system in the country and other similar settings as it has provided the insights for strategic orientation in the area of human resources for health, especially for enhanced employee performance in relation with the integrated human resource management approach

Keywords: human resource functions, employee performance, employee wellness, profecial workers

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Authors: Christian Neunzig, Simon Fahle, Jürgen Schulz, Matthias Möller, Bernd Kuhlenkötter

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Manufacturing companies are facing global competition and enormous cost pressure. The use of machine learning applications can help reduce production costs and create added value. Predictive quality enables the securing of product quality through data-supported predictions using machine learning models as a basis for decisions on test results. Furthermore, machine learning methods are able to process large amounts of data, deal with unfavourable row-column ratios and detect dependencies between the covariates and the given target as well as assess the multidimensional influence of all input variables on the target. Real production data are often subject to highly fluctuating boundary conditions and unbalanced data sets. Changes in production data manifest themselves in trends, systematic shifts, and seasonal effects. Thus, Machine learning applications require intensive pre-processing and feature selection. Data preprocessing includes rule-based data cleaning, the application of dimensionality reduction techniques, and the identification of comparable data subsets. Within the used real data set of Bosch hydraulic valves, the comparability of the same production conditions in the production of hydraulic valves within certain time periods can be identified by applying the concept drift method. Furthermore, a classification model is developed to evaluate the feature importance in different subsets within the identified time periods. By selecting comparable and stable features, the number of features used can be significantly reduced without a strong decrease in predictive power. The use of cross-process production data along the value chain of hydraulic valves is a promising approach to predict the quality characteristics of workpieces. In this research, the ada boosting classifier is used to predict the leakage of hydraulic valves based on geometric gauge blocks from machining, mating data from the assembly, and hydraulic measurement data from end-of-line testing. In addition, the most suitable methods are selected and accurate quality predictions are achieved.

Keywords: classification, achine learning, predictive quality, feature selection

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Authors: P. Mounnarath, U. Schmitz, Ch. Zhang

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Fragility analysis is an effective tool for the seismic vulnerability assessment of civil structures in the last several years. The design of the expansion joints according to various bridge design codes is almost inconsistent, and only a few studies have focused on this problem so far. In this study, the influence of the expansion joint clearances between the girder ends and the abutment backwalls on the seismic fragility assessment of continuous integral bridge frames is investigated. The gaps (ranging from 60 mm, 150 mm, 250 mm and 350 mm) are designed by following two different bridge design code specifications, namely, Caltrans and Eurocode 8-2. Five bridge models are analyzed and compared. The first bridge model serves as a reference. This model uses three-dimensional reinforced concrete fiber beam-column elements with simplified supports at both ends of the girder. The other four models also employ reinforced concrete fiber beam-column elements but include the abutment backfill stiffness and four different gap values. The nonlinear time history analysis is performed. The artificial ground motion sets, which have the peak ground accelerations (PGAs) ranging from 0.1 g to 1.0 g with an increment of 0.05 g, are taken as input. The soil-structure interaction and the P-Δ effects are also included in the analysis. The component fragility curves in terms of the curvature ductility demand to the capacity ratio of the piers and the displacement demand to the capacity ratio of the abutment sliding bearings are established and compared. The system fragility curves are then obtained by combining the component fragility curves. Our results show that in the component fragility analysis, the reference bridge model exhibits a severe vulnerability compared to that of other sophisticated bridge models for all damage states. In the system fragility analysis, the reference curves illustrate a smaller damage probability in the earlier PGA ranges for the first three damage states, they then show a higher fragility compared to other curves in the larger PGA levels. In the fourth damage state, the reference curve has the smallest vulnerability. In both the component and the system fragility analysis, the same trend is found that the bridge models with smaller clearances exhibit a smaller fragility compared to that with larger openings. However, the bridge model with a maximum clearance still induces a minimum pounding force effect.

Keywords: expansion joint clearance, fiber beam-column element, fragility assessment, time history analysis

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Authors: J. R. Mudakavi, K. Puttanna

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Chromium in the environment is considered as one of the most toxic elements probably next only to mercury and arsenic. It is acutely toxic, mutagenic and carcinogenic in the environment. Chromium contamination of soil and underground water due to industrial activities is a very serious problem in several parts of India covering Karnataka, Tamil Nadu, Andhra Pradesh etc. Functionally modified Activated Carbon Fabrics (ACF) offer targeted chromium removal from drinking water and industrial effluents. Activated carbon fabric is a light weight adsorbing material with high surface area and low resistance to fluid flow. We have investigated surface modification of ACF using various acids in the laboratory through batch as well as through continuous flow column experiments with a view to develop the optimum conditions for chromium removal. Among the various acids investigated, phosphoric acid modified ACF gave best results with a removal efficiency of 95% under optimum conditions. Optimum pH was around 2 – 4 with 2 hours contact time. Continuous column experiments with an effective bed contact time (EBCT) of 5 minutes indicated that breakthrough occurred after 300 bed volumes. Adsorption data followed a Freundlich isotherm pattern. Nickel adsorbs preferentially and sulphate reduces chromium adsorption by 50%. The ACF could be regenerated up to 52.3% using 3 M NaOH under optimal conditions. The process is simple, economical, energy efficient and applicable to industrial effluents and drinking water.

Keywords: activated carbon fabric, hexavalent chromium, adsorption, drinking water

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Authors: Rosine Angelique Uwacu

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Poor household sanitation is rife in Uganda, especially in Kampala. This study was carried out with he goal of establishing the main causes and effects of poor household sanitation in Kansanga parish. The study objectively sought to: To identify various ways through which wastes are generated and disposed of in Kansanga parish, identify different hygiene procedures/behaviors of waste handling in Kansanga parish and assess health effects of poor household sanitation and suggest the recommended appropriate measures of addressing cases of lack of hygiene in Kansanga parish. The study used a survey method where cluster sampling was employed. This is because there is no register of population or sufficient information, or geographic distribution of individuals is widely scattered. Data was collected through the use of interviews accompanied by observation and questionnaires. The study involved a sample of 100 households. The study revealed that; some households use wheeled bin collection, skip hire and roll on/off contained others take their wastes to refuse collection vehicles. Surprisingly, majority of the households submitted that they use polythene bags 'Kavera' and at times plastic sacs to dispose of their wastes which are dumped in drainage patterns or dustbins and other illegal dumping site. The study showed that washing hands with small jerrycans after using the toilet was being adopted by most households as there were no or few other alternatives. The study revealed that the common health effects that come as a result of poor household sanitation in Kansanga Parish are diseases outbreaks such as malaria, typhoid and diarrhea. Finally, the study gave a number of recommendations or suggestions on maintaining and achieving an adequate household sanitation in Kansanga Parish such as sensitization of community members by their leaders like Local Counselors could help to improve the situation, establishment of community sanitation days for people to collectively and voluntarily carry out good sanitation practices like digging trenches, burning garbage and proper waste management and disposal. Authorities like Kampala Capital City Authority should distribute dumping containers or allocate dumping sites where people can dispose of their wastes preferably at a minimum cost for proper management.

Keywords: household sanitation, kansanga parish, Uganda, waste

Procedia PDF Downloads 174

Authors: Chamika Chiran Perera, Dananjaya Perera, Chirath Dasanayake, Banuka Athuraliya

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Male infertility is a major problem in the world, and it is a neglected and sensitive health issue in Sri Lanka. It can be determined by analyzing human semen samples. Sperm motility is one of many factors that can evaluate male’s fertility potential. In Sri Lanka, this analysis is performed manually. Manual methods are time consuming and depend on the person, but they are reliable and it can depend on the expert. Machine learning and deep learning technologies are currently being investigated to automate the spermatozoa motility analysis, and these methods are unreliable. These automatic methods tend to produce false positive results and false detection. Current automatic methods support different techniques, and some of them are very expensive. Due to the geographical variance in spermatozoa characteristics, current automatic methods are not reliable for motility analysis in Sri Lanka. The suggested system, DeepMotile, is to explore a method to analyze motility of human spermatozoa automatically and present it to the andrology laboratories to overcome current issues. DeepMotile is a novel deep learning method for analyzing spermatozoa motility parameters in the Sri Lankan population. To implement the current approach, Sri Lanka patient data were collected anonymously as a dataset, and glass slides were used as a low-cost technique to analyze semen samples. Current problem was identified as microscopic object detection and tackling the problem. YOLOv5 was customized and used as the object detector, and it achieved 94 % mAP (mean average precision), 86% Precision, and 90% Recall with the gathered dataset. StrongSORT was used as the object tracker, and it was validated with andrology experts due to the unavailability of annotated ground truth data. Furthermore, this research has identified many potential ways for further investigation, and andrology experts can use this system to analyze motility parameters with realistic accuracy.

Keywords: computer vision, deep learning, convolutional neural networks, multi-target tracking, microscopic object detection and tracking, male infertility detection, motility analysis of human spermatozoa

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Authors: Yasser Mahmoudi, Nader Karimi

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The present work examines analytically the effect internal heat generation on temperature fields in a channel partially-filled with a porous under local thermal non-equilibrium condition. The Darcy-Brinkman model is used to represent the fluid transport through the porous material. Two fundamental models (models A and B) represent the thermal boundary conditions at the interface between the porous medium and the clear region. The governing equations of the problem are manipulated, and for each interface model, exact solutions for the solid and fluid temperature fields are developed. These solutions incorporate the porous material thickness, Biot number, fluid to solid thermal conductivity ratio Darcy number, as the non-dimensional energy terms in fluid and solid as parameters. Results show that considering any of the two models and under zero or negative heat generation (heat sink) and for any Darcy number, an increase in the porous thickness increases the amount of heat flux transferred to the porous region. The obtained results are applicable to the analysis of complex porous media incorporating internal heat generation, such as heat transfer enhancement (THE), tumor ablation in biological tissues and porous radiant burners (PRBs).

Keywords: porous media, local thermal non-equilibrium, forced convection, heat transfer, exact solution, internal heat generation

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Authors: Ovais U. Khan, G. M. Arshed, S. A. Raza, H. Ali

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A numerical model based on the computational fluid dynamics (CFD) approach is developed to investigate heat transfer across a longitudinal row of six circular cylinders. The momentum and energy equations are solved using the finite volume discretization technique. The convective terms are discretized using a second-order upwind methodology, whereas diffusion terms are discretized using a central differencing scheme. The second-order implicit technique is utilized to integrate time. Numerical simulations have been carried out for three different values of free stream Reynolds number (ReD) 100, 200, 300 and two different values of dimensionless longitudinal pitch ratio (SL/D) 1.5, 2.5 to demonstrate the fluid flow and heat transfer behavior. Numerical results are validated with the analytical findings reported in the literature and have been found to be in good agreement. The maximum percentage error in values of the average Nusselt number obtained from the numerical and analytical solutions is in the range of 10% for the free stream Reynolds number up to 300. It is demonstrated that the average Nusselt number for the array of cylinders increases with increasing the free stream Reynolds number and dimensionless longitudinal pitch ratio. The information generated would be useful in the design of more efficient heat exchangers or other fluid systems involving arrays of cylinders.

Keywords: computational fluid dynamics, array of cylinders, longitudinal pitch ratio, finite volume method, incompressible navier-stokes equations

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Authors: Arunava Chakrabarti

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A one-dimensional chain of magnetic atoms, representative of a quantum gas in an artificial quasi-periodic potential and modeled by the well-known Aubry-Andre function and its variants are studied in respect of its capability of working as a spin filter for arbitrary spins. The basic formulation is explained in terms of a perfectly periodic chain first, where it is shown that a definite correlation between the spin S of the incoming particles and the magnetic moment h of the substrate atoms can open up a gap in the energy spectrum. This is crucial for a spin filtering action. The simple one-dimensional chain is shown to be equivalent to a 2S+1 strand ladder network. This equivalence is exploited to work out the condition for the opening of gaps. The formulation is then applied for a one-dimensional chain with quasi-periodic variation in the site potentials, the magnetic moments and their orientations following an Aubry-Andre modulation and its variants. In addition, we show that a certain correlation between the system parameters can generate absolutely continuous bands in such systems populated by Bloch like extended wave functions only, signaling the possibility of a metal-insulator transition. This is a case of correlated disorder (a deterministic one), and the results provide a non-trivial variation to the famous Anderson localization problem. We have worked within a tight binding formalism and have presented explicit results for the spin half, spin one, three halves and spin five half particles incident on the magnetic chain to explain our scheme and the central results.

Keywords: Aubry-Andre model, correlated disorder, localization, spin filter

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Authors: Majid Farsadrooh, Mehran Feizi-Dehnayebi

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Serum albumin is the most abundant protein that is present in the circulatory system of a wide variety of organisms. Although it is a significant macromolecule, it can contribute to osmotic blood pressure and also, plays a superior role in drug disposition and efficiency. Molecular docking simulation can improve in silico drug design and discovery procedures to propound a lead compound and develop it from the discovery step to the clinic. In this study, the molecular docking simulation was applied to select a lead molecule through an investigation of the interaction of the two anticancer drugs (Alitretinoin and Abemaciclib) with Human Serum Albumin (HSA). Then, a series of new compounds (a-e) were suggested using lead molecule modification. Density functional theory (DFT) including MEP map and HOMO-LUMO analysis were used for the newly proposed compounds to predict the reactivity zones on the molecules, stability, and chemical reactivity. DFT calculation illustrated that these new compounds were stable. The estimated binding free energy (ΔG) values for a-e compounds were obtained as -5.78, -5.81, -5.95, -5,98, and -6.11 kcal/mol, respectively. Finally, the pharmaceutical properties and toxicity of these new compounds were estimated through OSIRIS DataWarrior software. The results indicated no risk of tumorigenic, irritant, or reproductive effects and mutagenicity for compounds d and e. As a result, compounds d and e, could be selected for further study as potential therapeutic candidates. Moreover, employing molecular docking simulation with the prediction of pharmaceutical properties helps to discover new potential drug compounds.

Keywords: drug design, anticancer, computational studies, DFT analysis

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