Search results for: efficient score function

Authors: A. Albar, U. Schwingenschlogel

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Device applications of transparent conducting oxides require a thorough understanding of the physical and chemical properties of the involved interfaces. We use ab-initio calculations within density functional theory to investigate the electronic states at the SnO/SnO2 hetero-interface. Tin dioxide and monoxide are transparent materials with high n-type and p-type mobilities, respectively. This work aims at exploring the modifications of the electronic states, in particular the charge transfer, in the vicinity of the hetero-interface. The (110) interface is modeled by a super-cell approach in order to minimize the mismatch between the lattice parameters of the two compounds. We discuss the electronic density of states as a function of the distance to the interface.

Keywords: density of states, ab-initio calculations, interface states, charge transfer

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Authors: Jose Gois

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The paper presents the development of a porous porcelain frappe with thermochromic visualization for port wines, having as a partner the Institute of Vinhos do Douro and Porto. This ceramic frappe is intended to promote the cooling and maintenance of the temperature of port wines through porous ceramic materials, consisting of a porcelain composite with sawdust addition, so as to contain, on the one hand, the similar cooling properties of the terracotta and, on the other, the resistance of materials such as porcelain. The application of the thermochromic element makes it possible to see if the wine is at optimal service temperatures, allowing users to drink the wine in the ideal conditions and contributing to more efficient maintenance of the service.

Keywords: design, frappe, porcelain, porous, thermochromic

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Authors: Ramandeep Kaur, Gurjit Singh Bhathal

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Cancer diagnosis is very difficult task. Magnetic resonance imaging (MRI) scan is used to produce image of any part of the body and provides an efficient way for diagnosis of cancer or tumor. In existing method, fuzzy clustering mean (FCM) is used for the diagnosis of the tumor. In the proposed method FCM is used to diagnose the cancer of the foot. FCM finds the centroids of the clusters of the foot cancer obtained from MRI images. FCM thresholding result shows the extract region of the cancer. Morphological operations are applied to get extracted region of cancer.

Keywords: magnetic resonance imaging (MRI), fuzzy C mean clustering, segmentation, morphological operations

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Authors: Raveendranath Veeramani, Parkash Chand, H. Y. Suma, A. Umamageswari

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Background and Aims: The aim of this study was to evaluate students’ perception of Integrated Learning Program[ILP]. Settings and Design: A questionnaire was used to survey and evaluate the perceptions of 1styear MBBS students at the Department of Anatomy at our medical college in India. Materials and Methods: The first MBBS Students of Anatomy were involved in the ILP on the Liver and extra hepatic biliary apparatus integrating the Departments of Anatomy, Biochemistry and Hepato-biliary Surgery. The evaluation of the ILP was done by two sets of short questionnaire that had ten items using the Likert five-point grading scale. The data involved both the students’ responses and their grading. Results: A majority of students felt that the ILP was better in as compared to the traditional lecture method of teaching.The integrated teaching method was better at fulfilling learning objectives (128 students, 83%), enabled better understanding (students, 94%), were more interesting (140 students, 90%), ensured that they could score better in exams (115 students, 77%) and involved greater interaction (100 students, 66%), as compared to traditional teaching methods. Most of the students (142 students, 95%) opined that more such sessions should be organized in the future. Conclusions: Responses from students show that the integrated learning session should be incorporated even at first phase of MBBS for selected topics so as to create interest in the medical sciences at the entry level and to make them understand the importance of basic science.

Keywords: integrated learning, students response, vertical integration, horizontal integration

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Authors: V. Keim, J. Spachtholz, J. Hammer

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The importance of fibre reinforced plastics continually increases due to the excellent mechanical properties, low material and manufacturing costs combined with significant weight reduction. Today, components are usually designed and calculated numerically by using finite element methods (FEM) to avoid expensive laboratory tests. These programs are based on material models including material specific deformation characteristics. In this research project, material models for short glass fibre reinforced plastics are presented to simulate the visco-elasto-plastic deformation behaviour. Prior to modelling specimens of the material EMS Grivory HTV-5H1, consisting of a Polyphthalamide matrix reinforced by 50wt.-% of short glass fibres, are characterized experimentally in terms of the highly time dependent deformation behaviour of the matrix material. To minimize the experimental effort, the cyclic deformation behaviour under tensile and compressive loading (R = −1) is characterized by isothermal complex low cycle fatigue (CLCF) tests. Combining cycles under two strain amplitudes and strain rates within three orders of magnitude and relaxation intervals into one experiment the visco-elastic deformation is characterized. To identify visco-plastic deformation monotonous tensile tests either displacement controlled or strain controlled (CERT) are compared. All relevant modelling parameters for this complex superposition of simultaneously varying mechanical loadings are quantified by these experiments. Subsequently, two different material models are compared with respect to their accuracy describing the visco-elasto-plastic deformation behaviour. First, based on Chaboche an extended 12 parameter model (EVP-KV2) is used to model cyclic visco-elasto-plasticity at two time scales. The parameters of the model including a total separation of elastic and plastic deformation are obtained by computational optimization using an evolutionary algorithm based on a fitness function called genetic algorithm. Second, the 12 parameter visco-elasto-plastic material model by Launay is used. In detail, the model contains a different type of a flow function based on the definition of the visco-plastic deformation as a part of the overall deformation. The accuracy of the models is verified by corresponding experimental LCF testing.

Keywords: complex low cycle fatigue, material modelling, short glass fibre reinforced polyphthalamides, visco-elasto-plastic deformation

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Authors: C. C .D. Kulathilake, M. Jayatilake, T. Takahashi

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The myocardium is composed of specialized muscle which relies mainly on fatty acid and sugar metabolism and it is widely contribute to the heart functioning. The changes of the cardiac energy-producing system during heart failure have been proved using autoradiography techniques. This study focused on evaluating sugar and fatty acid metabolism in myocardium as cardiac energy getting system using heart-accumulated radiopharmaceuticals. Two sets of autoradiographs of heart cross sections of Lewis male rats were analyzed and the time- accumulation curve obtained with use of the MATLAB image processing software to evaluate fatty acid and sugar metabolic functions.

Keywords: autoradiographs, fatty acid, radiopharmaceuticals, sugar

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Authors: Aymen Rhouma, Khaled Hcheichi, Sami Hafsi

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The article presents an application of Fractional Model Predictive Control (FMPC) to a fractional order thermal system using Controlled Auto Regressive Integrated Moving Average (CARIMA) model obtained by discretization of a continuous fractional differential equation. Moreover, the output deviation approach is exploited to design the K -step ahead output predictor, and the corresponding control law is obtained by solving a quadratic cost function. Experiment results onto a thermal system are presented to emphasize the performances and the effectiveness of the proposed predictive controller.

Keywords: fractional model predictive control, fractional order systems, thermal system, predictive control

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Authors: Saurabh Rawat, Anushree Sah

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K Maps are generally and ideally, thought to be simplest form for obtaining solution of Boolean equations. Cubical Representation of Boolean equations is an alternate pick to incur a solution, otherwise to be meted out with Truth Tables, Boolean Laws, and different traits of Karnaugh Maps. Largest possible k- cubes that exist for a given function are equivalent to its prime implicants. A technique of minimization of Logic functions is tried to be achieved through cubical methods. The main purpose is to make aware and utilise the advantages of cubical techniques in minimization of Logic functions. All this is done with an aim to achieve minimal cost solution.r

Keywords: K-maps, don’t care conditions, Boolean equations, cubes

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Authors: Z. Abdollahnejad, P. Torgal, J. Barroso Aguiar

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Publications on the field of alkali-activated binders, state that this new material is likely to have high potential to become an alternative to Portland cement. Classical alkali-activated cements could be made more eco-efficient if the use of sodium silicate is avoided. Besides, most alkali-activated cements suffer from severe efflorescence originated by the fact that alkaline and/or soluble silicates that are added during processing cannot be totally consumed. This paper presents experimental results on hybrid alkaline cements. Compressive strength results and efflorescence’s observations show that the new mixes already analyzed are promising. SEM results show that no traditional porous ITZ was detected in these binders.

Keywords: hybrid alkaline cements, compressive strength, efflorescence, SEM, ITZ

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Authors: Marta Fernández Batalla, José María Santamaría García, Maria Lourdes Jiménez Rodríguez, Roberto Barchino Plata, Adriana Cercas Duque, Enrique Monsalvo San Macario

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Background: Primary Care Nursing is taking more autonomy in clinical decisions. One of the most frequent therapies to solve is related to the problems of maintaining a sufficient supply of food. Nursing diagnoses related to food are addressed by the nurse-family and community as the first responsible. Objectives and interventions are set according to each patient. To improve the goal setting and the treatment of these care problems, a technological tool is developed to help nurses. Objective: To evaluate the computational tool developed to support the clinical decision in feeding problems. Material and methods: A cross-sectional descriptive study was carried out at the Meco Health Center, Madrid, Spain. The study population consisted of four specialist nurses in primary care. These nurses tested the tool on 30 people with ‘need for nutritional therapy’. Subsequently, the usability of the tool and the satisfaction of the professional were sought. Results: A simple and convenient computational tool is designed for use. It has 3 main entrance fields: age, size, sex. The tool returns the following information: BMI (Body Mass Index) and caloric consumed by the person. The next step is the caloric calculation depending on the activity. It is possible to propose a goal of BMI or weight to achieve. With this, the amount of calories to be consumed is proposed. After using the tool, it was determined that the tool calculated the BMI and calories correctly (in 100% of clinical cases). satisfaction on nutritional assessment was ‘satisfactory’ or ‘very satisfactory’, linked to the speed of operations. As a point of improvement, the options of ‘stress factor’ linked to weekly physical activity. Conclusion: Based on the results, it is clear that the computational tools of decision support are useful in the clinic. Nurses are not only consumers of computational tools, but can develop their own tools. These technological solutions improve the effectiveness of nutrition assessment and intervention. We are currently working on improvements such as the calculation of protein percentages as a function of protein percentages as a function of stress parameters.

Keywords: feeding behavior health, nutrition therapy, primary care nursing, technology assessment

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Authors: Muhammad Zeeshan, Rabia Nazir, Lubna Tahir

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Low cost filter based on iron doped zeolite (Fe-Z) and pottery clay was developed for an effective and efficient treatment of the drinking water contaminated with microbes. Fe-Z was characterized using powder XRD, SEM and EDX and shown to have average particle size of 49 nm with spongy appearance. The simulated samples of water self-contaminated with six microbes (S. typhi, B. subtilus, E. coli, S. aures, K. pneumoniae, and P. aeruginosa) after treatment with Fe-Z indicated effective removal of all the microbes in less than 30 min. Equally good results were obtained when actual drinking water samples, totally unfit for human consumption, were treated with Fe-Z.

Keywords: iron doped zeolite, biological and chemical treatment, drinking water

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Authors: Dariusz Jacek Jakóbczak

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Mathematics and computer science are interested in methods of 2D curve interpolation and extrapolation using the set of key points (knots). A proposed method of Hurwitz- Radon Matrices (MHR) is such a method. This novel method is based on the family of Hurwitz-Radon (HR) matrices which possess columns composed of orthogonal vectors. Two-dimensional curve is interpolated via different functions as probability distribution functions: polynomial, sinus, cosine, tangent, cotangent, logarithm, exponent, arcsin, arccos, arctan, arcctg or power function, also inverse functions. It is shown how to build the orthogonal matrix operator and how to use it in a process of curve reconstruction.

Keywords: 2D data interpolation, hurwitz-radon matrices, MHR method, probabilistic modeling, curve extrapolation

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Authors: Shaimaa M. Mohamed, Haitham S. Hamza, Imane A. Saroit

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Many wireless sensor network applications require K-coverage of the monitored area. In this paper, we propose a scalable harmony search based algorithm in terms of execution time, K-Coverage Enhancement Algorithm (KCEA), it attempts to enhance initial coverage, and achieve the required K-coverage degree for a specific application efficiently. Simulation results show that the proposed algorithm achieves coverage improvement of 5.34% compared to K-Coverage Rate Deployment (K-CRD), which achieves 1.31% when deploying one additional sensor. Moreover, the proposed algorithm is more time efficient.

Keywords: Wireless Sensor Networks (WSN), harmony search algorithms, K-Coverage, Mobile WSN

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Authors: Heri Kuswanto, Philipp Sibbertsen, Irhamah

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A Wald type test to distinguish between long memory and ESTAR nonlinearity has been developed. The test uses a directed-Wald statistic to overcome the problem of restricted parameters under the alternative. The test is derived from a model specification i.e. allows the transition parameter to appear as a nuisance parameter in the transition function. A simulation study has been conducted and it indicates that the approach leads a test with good size and power properties to distinguish between stationary long memory and ESTAR.

Keywords: directed-Wald test, ESTAR, long memory, distinguish

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Authors: N. Touj, M. Sauthier, L. Mansour, N. Hamdi

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The palladium NHC complexes are one of the most interesting and widely investigated complexes in different catalytic transformations, especially C–C bond. Thus, the use of N-heterocyclic carbenes associated with palladium has been reported as efficient catalysts for the carbonyl coupling under mild and varied conditions. Herein, we report the synthesis, characterization, and cytotoxic activities of two new families of benzimidazolium salts. Then we studied the use of this class of benzimidazolium salts as a ligand in the carbonylative cross-coupling of 2-bromopyridine with different boronic acids under CO atmosphere to form unsymmetrical arylpyridine ketones.

Keywords: NHC-Pd(II) catalysts, carbonylative Suzuki cross-coupling reaction, arylboronic acids, 2-bromopyridine, unsymmetrical arylpyridine ketones

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Authors: Adijat Olubukola Olateju

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Women empowerment is an essential developmental tool in every economy especially in less developed countries; as it helps to enhance women's socio-economic well-being. Some empirical evidence has shown that microcredit has been an effective tool in enhancing women empowerment, especially in developing countries. This paper therefore, investigates the impact of microcredit programme on women empowerment in Lagos State, Nigeria. The study used Cowries Microfinance Bank (CMB) as a case study bank, and a total of 359 women entrepreneurs were selected by simple random sampling technique from the list of Cowries Microfinance Bank. Selection bias which could arise from non-random selection of participants or non-random placement of programme, was adjusted for by dividing the data into participant women entrepreneurs and non-participant women entrepreneurs. The data were analyzed with a Propensity Score Matching (PSM) technique. The result of the Average Treatment Effect on the Treated (ATT) obtained from the PSM indicates that the credit programme has a significant effect on the empowerment of women in the study area. It is therefore, recommended that microfinance banks should be encouraged to give loan to women and for more impact of the loan to be felt by the beneficiaries the loan programme should be complemented with other programmes such as training, grant, and periodic monitoring of programme should be encouraged.

Keywords: empowerment, microcredit, socio-economic wellbeing, development

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Authors: Maciej Bialorudzki, Zbigniew Izdebski, Alicja Kozakiewicz, Joanna Mazur

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The quality of sleep is extremely important for physical and mental health, especially among professional groups exposed to the suffering of the people they serve. The aim of the study is to assess sleep quality and various aspects of physical and mental health. A nationwide cross-sectional survey conducted in the first quarter of 2022 included 2227 healthcare professionals from 114 Polish hospitals and specialized outpatient clinics. The following distribution for each professional group was obtained (22% doctors; 52.6% nurses; 7.3% paramedics; 10.1% other medical professionals; 7.9% other non-medical professionals). The mean age of the respondents was 46.24 (SD=11.53). The Jenkins Sleep Scale with four items (JSS-4) was used to assess sleep quality, yielding a mean value of 5.35 (SD=5.20) in the study group and 13.7% of subjects with poor sleep quality using the cutoff point of the mean JSS-4 sum score as >11. More often, women than men reported poorer sleep quality (14,8% vs. 9,1% p=0,002). Respondents with poor sleep quality were more likely to report occupational burnout as measured by the BAT-12 (43.1% vs. 12.9% p<0.001) and high levels of stress as measured by the PSS-4 (72.5% vs. 27.5% p<0.001). In addition, those who declare experiencing a traumatic event compared to those who have not experienced it has an almost two times higher risk of poorer sleep quality (OR:1.958; 95% CI:1.509-2.542; p<0.001). In contrast, those with occupational burnout had more than five times the risk of those without occupational burnout (OR:5.092; 95% CI: 3.763-6.889; p<0.001). Sleep quality remains an important predictor of stress levels, job burnout, and quality of life assessment.

Keywords: quality of sleep, medical staff, mental health, physical health, occupational burnout, stress

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Authors: M. Khoshab, M. J. Sedigh

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Dynamic systems, which in mathematical point of view are those governed by differential equations, are much more difficult to study and to predict their behavior in comparison with static systems which are governed by algebraic equations. Economical systems such as market are among complicated dynamic systems. This paper tries to adopt a very simple mathematical model for market and to study effect of supply and demand function on behavior of the market while the supply side experiences a lag due to production restrictions.

Keywords: dynamic system, lag on supply demand, market stability, supply demand model

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Authors: Aura Alejandra Burbano Patino, Mariela Agotegaray, Veronica Lassalle, Fernanda Horst

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Water pollution is of worldwide concern due to its importance as an essential resource for life. Industrial and urbanistic growth are anthropogenic activities that have caused an increase of undesirable compounds in water. In the last decade, emerging pollutants have become of great interest since, at very low concentrations (µg/L and ng/L), they exhibit a hazardous effect on wildlife, aquatic ecosystems, and human organisms. One group of emerging pollutants that are a matter of study are pharmaceuticals. Their high consumption rate and their inappropriate disposal have led to their detection in wastewater treatment plant influent, effluent, surface water, and drinking water. In consequence, numerous technologies have been developed to efficiently treat these pollutants. Adsorption appears like an easy and cost-effective technology. One of the most used adsorbents of emerging pollutants removal is carbon-based materials such as hydrochars. This study aims to use a magnetic hydrochar nanocomposite to be employed as an adsorbent for diclofenac removal. Kinetics models and the adsorption efficiency in real water samples were analyzed. For this purpose, a magnetic hydrochar nanocomposite was synthesized through the hydrothermal carbonization (HTC) technique hybridized to co-precipitation to add the magnetic component into the hydrochar, based on iron oxide nanoparticles. The hydrochar was obtained from sunflower husk residue as the precursor. TEM, TGA, FTIR, Zeta potential as a function of pH, DLS, BET technique, and elemental analysis were employed to characterize the material in terms of composition and chemical structure. Adsorption kinetics were carried out in distilled water and real water at room temperature, pH of 5.5 for distilled water and natural pH for real water samples, 1:1 adsorbent: adsorbate dosage ratio, contact times from 10-120 minutes, and 50% dosage concentration of DCF. Results have demonstrated that magnetic hydrochar presents superparamagnetic properties with a saturation magnetization value of 55.28 emu/g. Besides, it is mesoporous with a surface area of 55.52 m²/g. It is composed of magnetite nanoparticles incorporated into the hydrochar matrix, as can be proven by TEM micrographs, FTIR spectra, and zeta potential. On the other hand, kinetic studies were carried out using DCF models, finding percent removal efficiencies up to 85.34% after 80 minutes of contact time. In addition, after 120 minutes of contact time, desorption of emerging pollutants from active sites took place, which indicated that the material got saturated after that t time. In real water samples, percent removal efficiencies decrease up to 57.39%, ascribable to a possible mechanism of competitive adsorption of organic or inorganic compounds, ions for active sites of the magnetic hydrochar. The main suggested adsorption mechanism between the magnetic hydrochar and diclofenac include hydrophobic and electrostatic interactions as well as hydrogen bonds. It can be concluded that the magnetic hydrochar nanocomposite could be valorized into a by-product which appears as an efficient adsorbent for DCF removal as a model emerging pollutant. These results are being complemented by modifying experimental variables such as pollutant’s initial concentration, adsorbent: adsorbate dosage ratio, and temperature. Currently, adsorption assays of other emerging pollutants are being been carried out.

Keywords: environmental remediation, emerging pollutants, hydrochar, magnetite nanoparticles

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Authors: Alemu Moges Belay, Torgeir Welo, Jan Ola Strandhagen

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Lean has long been linked with manufacturing, but its application claimed also by other functions such as product development and services. However, there is a challenge on understanding and defining lean in each function context. This paper aims to investigate the literature that focus mainly on PD process improvement, obtain better understanding and redefine LPD in systematic way. In addition to that, the paper attempts to summarize various proposed transformation strategies, definitions, identifying features of manufacturing and product development that would help to redefining lean in product development context. Finally we redefine LPD in organized way that encompasses different steps such as stage gate, communication and information, events, learning, innovation, knowledge and value creation.

Keywords: lean, lean manufacturing, lean product development, transformation, strategies

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Authors: Imran Muhammad

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The main cause of infectious disease in the modern world is Mycobacterium Tuberculosis (MT). To combat tuberculosis, new and efficient drugs are an urgent need in the modern world. Schif bases are potent for their biological pharmacophore activity. Thus we selected different Vanillin-based Schiff bases for their binding activity against target enzymes of Mycobacterium tuberculosis that is (DprE1 (decaprenyl phosphoryl-β-D-ribose 2′-epimerase), and DNA gyrase subunit-A), using molecular docking. We evaluate the inhibition potential, interaction, and binding mode of these compounds with the target enzymes.

Keywords: schiff bases, tuberculosis, DNA gyrase, DprE1, docking

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Authors: Mehravar Javid, Katherine Marshall Woods, Joseph Kosowsky, Anna Missner

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In this paper, "Life and a Day" is analyzed psychoanalytically with an emphasis on the ways by which addiction is influenced by personal psychology and familial ties. It explores the influence of parenting on one's sense of self and the function of therapeutic alliances in the treatment of addiction. The analysis also observes the main characters, with a special emphasis on Somayeh, who represents the continuation of her father's role in the family and faces identity and autonomy issues in the face of familial responsibilities. In addressing addiction, the document emphasizes the significance of comprehending family dynamics and individual psychological factors, emphasizing the interaction between personal trauma, family roles, and recovery.

Keywords: addiction, autonomy, family dynamics, identity, life and a day, psychoanalytic

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Authors: Zhan Haiyang, Zhang Lei, Ning Juan

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This paper presents a configuration software solution in Linux, which is used for the control of space environment simulator. After introducing the structure and basic principle, it is said that the developing of QT software frame and the dynamic data exchanging between PLC and computer. The OPC driver in Linux is also developed. This driver realizes many-to-many communication between hardware devices and SCADA software. Moreover, an algorithm named “Scan PRI” is put forward. This algorithm is much more optimizable and efficient compared with "Scan in sequence" in Windows. This software has been used in practical project. It has a good control effect and can achieve the expected goal.

Keywords: Linux OS, configuration software, OPC Server driver, MYSQL database

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Authors: Roscoe McLean, Jared Padayachee, Glen Bright

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There is currently a gap in the technology covering the rapid establishment of control after a reconfiguration in a Reconfigurable Manufacturing System. This gap involves the detection of the factory floor state and the communication link between the factory floor and the high-level software. In this paper, a thin, hardware-supported Middleware Management System (MMS) is proposed and its design and implementation are discussed. The research found that a cost-effective localization technique can be combined with intelligent software to speed up the ramp-up of a reconfigured system. The MMS makes the process more intelligent, more efficient and less time-consuming, thus supporting the industrial implementation of the RMS paradigm.

Keywords: intelligent systems, middleware, reconfigurable manufacturing, management system

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Authors: Sitrapee Changmuenwai, Sudaratana Wongweragiat

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It is important that a dry chemical fire extinguisher must be inspected for its readiness. For each inspection, the inspectors need to turn the fire extinguisher tank upside down to let the chemical inside the tank move and prevent solidification, which would make the tank not ready for usage when needed. Each tank weighs approximately 16 kg. The inspectors have to turn each tank upside down twice (2 minutes/round). They need to put the tanks over their shoulder close to their ear in order to hear the chemical flow inside the tank or use their hands to feel it. The survey and questionnaire 'The Questionnaire Know Body', which includes neck, left shoulder, upper and lower right arms suggest that all 12 security staffs have the same fatigues. The current dry chemical fire extinguisher inspection affects various ergonomic health problems. Rapid Entire Body Assessment (REBA) is used for evaluation of posture risks so that the working postures may be redesigned or corrected. The dry chemical fire extinguisher inspection equipment has been developed to reduce ergonomic health risks for the inspectors. A REBA analysis has been performed again, and the risk score has been decreased from 13 to 3. In addition, feedbacks from the first trial of the developed equipment show that there are demands to increase the installation in order to reduce the ergonomic health risks.

Keywords: dry chemical fire extinguisher inspection equipment, ergonomic, REBA, rapid entire body assessment

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Authors: Harish Rajak, Preeti Patel

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HDAC inhibitors can reactivate gene expression and inhibit the growth and survival of cancer cells. The 3D-QSAR and Pharmacophore modeling studies were performed to identify important pharmacophoric features and correlate 3D-chemical structure with biological activity. The pharmacophore hypotheses were developed using e-pharmacophore script and phase module. Pharmacophore hypothesis represents the 3D arrangement of molecular features necessary for activity. A series of 55 compounds with well-assigned HDAC inhibitory activity was used for 3D-QSAR model development. Best 3D-QSAR model, which is a five PLS factor model with good statistics and predictive ability, acquired Q2 (0.7293), R2 (0.9811) and standard deviation (0.0952). Molecular docking were performed using Histone Deacetylase protein (PDB ID: 1t69) and prepared series of hydroxamic acid based HDAC inhibitors. Docking study of compound 43 show significant binding interactions Ser 276 and oxygen atom of dioxine cap region, Gly 151 and amino group and Asp 267 with carboxyl group of CONHOH, which are essential for anticancer activity. On docking, most of the compounds exhibited better glide score values between -8 to -10.5. We have established structure activity correlation using docking, energetic based pharmacophore modelling, pharmacophore and atom based 3D QSAR model. The results of these studies were further used for the design and testing of new HDAC analogs.

Keywords: Docking, e-pharmacophore, HDACIs, QSAR, Suberoylanilidehydroxamic acid.

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Authors: Uzoamaka Nwugo Akwiwu

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Human Immunodeficiency Virus (HIV) among rural dwellers depletes quality of agricultural labour, and reduces quality of life. Use of Antiretroviral Therapy (ART) has not significantly reduced consequences of infection, as the effort is being compromised by inadequate dietary intake. This study analysed the dietary intake of People Living with HIV/AIDS (PLWHA) in rural communities of Imo State, Nigeria. Data was collected from 114 PLWHA randomly selected from members of two rural support groups with high prevalence of HIV in Imo State using interview schedule. The data was analysed using descriptive statistics, Pearson product moment correlation, and t-test at α0.05. Level of involvement in agriculture was (mean 12.7) and reduced to 7.0 after infection. Extent of involvement in agriculture significantly reduced after infection in Imo (t=8.1). Health status of 42.1% of PLWHA was perceived as poor. Diet diversity score (4.3±1.6) was low among majority (62.3%) of the PLWHA, with diet of 76.3% being inadequate. However, perceived health status had no significant correlation with dietary intake (r=0.09). The study concluded that diet of PLWHA in Imo State was inadequate, thus there is need for agricultural extension agents to collaborate with the health sector to develop nutritional guideline for PLWHA in rural communities.

Keywords: dietary intake, diet diversity, people living With HIV/AIDS, perceived health status

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Authors: Michael Danilov, Sergei Iskakov, Vladimir Mazurenko

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The present paper describes a high-performance parallel realization of an exact diagonalization solver for quantum-electron models in a shared memory computing system. The proposed algorithm contains a storage format for efficient computing eigenvalues and eigenvectors of a quantum electron Hamiltonian matrix. The results of the test calculations carried out for 15 sites Hubbard model demonstrate reduction in the required memory and good multiprocessor scalability, while maintaining performance of the same order as compressed row storage.

Keywords: sparse matrix, compressed format, Hubbard model, Anderson model

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Authors: Ridha Zgolli, Ahmed Belhaj, Maroua Ennouri

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This study presents a new method to predict cavitation area that may be eroded. It is based on the post-treatment of URANS simulations in cavitant flows. The most RANS calculations with incompressible consideration are based on cavitation model using mixture fluid with density (ρm) calculated as a function of liquid density (ρliq), vapour or gas density (ρvap) and vapour or gas volume fraction α (ρm = αρvap + (1-α) ρliq). The calculations are performed on hydrofoil geometries and compared with experimental works concerning flows characteristics (size of pocket, pressure, velocity). We present here the used cavitation model and the approach followed to evaluate the value of α fixing the shape of pocket around wall before collapsing.

Keywords: flows, CFD, cavitation, erosion

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Authors: Davood Vatankhah, Reza Mokhtari Malekabadi, Mohsen Saghaei

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Function of urban transportation systems depends on the existence of the required infrastructures, appropriate placement of different components, and the cooperation of these components with each other. Establishing various neighboring parking spaces in city neighborhood in order to prevent long-term and inappropriate parking of cars in the allies is one of the most effective operations in reducing the crowding and density of the neighborhoods. Every place with a certain application attracts a number of daily travels which happen throughout the city. A large percentage of the people visiting these places go to these travels by their own cars; therefore, they need a space to park their cars. The amount of this need depends on the usage function and travel demand of the place. The study aims at investigating the spatial distribution of the public parking spaces, determining the effective factors in locating, and their combination in GIS environment in Khomeinishahr of Isfahan city. Ultimately, the study intends to create an appropriate pattern for locating parking spaces, determining the request for parking spaces of the traffic areas, choosing the proper places for providing the required public parking spaces, and also proposing new spots in order to promote quality and quantity aspects of the city in terms of enjoying public parking spaces. Regarding the method, the study is based on applied purpose and regarding nature, it is analytic-descriptive. The population of the study includes people of the center of Khomeinishahr which is located on Northwest of Isfahan having about 5000 hectares of geographic area and the population of 241318 people are in the center of Komeinishahr. In order to determine the sample size, Cochran formula was used and according to the population of 26483 people of the studied area, 231 questionnaires were used. Data analysis was carried out by usage of SPSS software and after estimating the required space for parking spaces, initially, the effective criteria in locating the public parking spaces are weighted by the usage of Analytic Hierarchical Process in the Arc GIS software. Then, appropriate places for establishing parking spaces were determined by fuzzy method of Order Weighted Average (OWA). The results indicated that locating of parking spaces in Khomeinishahr have not been carried out appropriately and per capita of the parking spaces is not desirable in relation to the population and request; therefore, in addition to the present parking lots, 1434 parking lots are needed in the area of the study for each day; therefore, there is not a logical proportion between parking request and the number of parking lots in Khomeinishahr.

Keywords: GIS, locating, parking, khomeinishahr

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