Search results for: in silico approach

Authors: Suwapitch Chalongkulasak, Teerasak E-Kobon, Pramote Chumnanpuen

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Acne vulgaris is a common skin disease mainly caused by the Gram–positive pathogenic bacterium, Propionibacterium acnes. This bacterium stimulates inflammation process in human sebaceous glands. Giant African snail (Achatina fulica) is alien species that rapidly reproduces and seriously damages agricultural products in Thailand. There were several research reports on the medical and pharmaceutical benefits of this snail mucus peptides and proteins. This study aimed to in silico predict multifunctional bioactive peptides from A. fulica mucus peptidome using several bioinformatic tools for determination of antimicrobial (iAMPpred), anti–biofilm (dPABBs), cytotoxic (Toxinpred), cell membrane penetrating (CPPpred) and anti–quorum sensing (QSPpred) peptides. Three candidate peptides with the highest predictive score were selected and re-designed/modified to improve the required activities. Structural and physicochemical properties of six anti–P. acnes (APA) peptide candidates were performed by PEP–FOLD3 program and the five aforementioned tools. All candidates had random coiled structure and were named as APA1–ori, APA2–ori, APA3–ori, APA1–mod, APA2–mod and APA3–mod. To validate the APA activity, these peptide candidates were synthesized and tested against six isolates of P. acnes. The modified APA peptides showed high APA activity on some isolates. Therefore, our biomimetic mucus peptides could be useful for preventing acne vulgaris and further examined on other activities important to medical and pharmaceutical applications.

Keywords: Propionibacterium acnes, Achatina fulica, peptidomes, antibacterial peptides, snail mucus

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Authors: Surajbhan Sevda

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Metal containing wastewater is generated in large quintiles due to rapid industrialization. Generally, the metal present in wastewater is not biodegradable and can be accumulated in living animals, humans and plant tissue, causing disorder and diseases. The conventional metal recovery methods include chemical, physical and biological methods, but these are chemical and energy intensive. The recent development in microbial fuel cell (MFC) technology provides a new approach for metal recovery; this technology offers a flexible platform for both reduction and oxidation reaction oriented process. The use of MFCs will be a new platform for more efficient and low energy approach for metal recovery from the wastewater. So far metal recover was extensively studied using chemical, physical and biological methods. The MFCs present a new and efficient approach for removing and recovering metals from different wastewater, suggesting the use of different electrode for metal recovery can be a new efficient and effective approach.

Keywords: metal recovery, microbial fuel cell, wastewater, bioelectricity

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Authors: Andi Intan Purnamasari, Supriyadi, Sulbadana, Aminuddin Kasim

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Law functions as social control. Providing arrangements not only for legal certainty, but also in the scope of justice and expediency. The three values ​​achieved by law essentially function to bring comfort to each individual in carrying out daily activities. However, it is undeniable that global conditions have changed the orientation of people's lifestyles. Some people want to ensure their existence in the digital world which is popularly known as the metaverse. Some countries even project their city to be a metaverse city. The order of life is no longer limited to the real space, but also to the cyber world. Not infrequently, legal events that occur in the cyber world also force the law to position its position and even prevent crime in cyberspace. Through this research, conceptually it provides a view of the legal position in crime prevention in the Metaverse world. when the law acts to regulate the situation in the virtual world, of course some people will feel disturbed, this is due to the thought that the virtual world is a world in which an avatar can do things that cannot be done in the real world, or can be called a world without boundaries. Therefore, when the law is present to provide boundaries, of course the concept of the virtual world itself becomes no longer a cyber world that is not limited by space and time, it becomes a new order of life. approach, approach, approach, approach, and approach will certainly be the method used in this research.

Keywords: crime, cyber, metaverse, law

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Authors: Sondos M. Hammad, Sherin M. ElGokhy, Mahmoud M. Fahmy, Elsayed A. Sallam

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In this paper, an ensemble-based Support Vector Machine (SVM) classification approach is proposed. It is used for miRNA prediction. Three problems, commonly associated with previous approaches, are alleviated. These problems arise due to impose assumptions on the secondary structural of premiRNA, imbalance between the numbers of the laboratory checked miRNAs and the pseudo-hairpins, and finally using a training data set that does not consider all the varieties of samples in different species. We aggregate the predicted outputs of three well-known SVM classifiers; namely, Triplet-SVM, Virgo and Mirident, weighted by their variant features without any structural assumptions. An additional SVM layer is used in aggregating the final output. The proposed approach is trained and then tested with balanced data sets. The results of the proposed approach outperform the three base classifiers. Improved values for the metrics of 88.88% f-score, 92.73% accuracy, 90.64% precision, 96.64% specificity, 87.2% sensitivity, and the area under the ROC curve is 0.91 are achieved.

Keywords: MiRNAs, SVM classification, ensemble algorithm, assumption problem, imbalance data

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Authors: Juliet Ramohai

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This paper explores how women departmental heads in higher education experience leadership in a time of the COVID-19 crises. The focus is mostly on their care and coping as they work in virtual spaces. Most scholars have looked at the effects and challenges that different employees face while working from home during a lockdown. However, very few take a dedicated focus on women in leadership and the coping mechanisms and resources that they use for effective leadership during this difficult time. The paper draws on two aspects of Sen’s Capabilities approach, functionings, and agency, to cast a closer understanding of the institutional and individual coping mechanisms that might be at these women's disposal. The qualitative approach used for this paper and a feminist lens provides a critical and in-depth understanding of the real-life stories of the women and how they make sense of their virtual leadership. Data for this paper was collected through semi-structured interviews with 10 women in the positions of head of departments and analysed thematically using capabilities approach concepts as an analytical tool. The findings in this paper indicate that functionings and freedoms are tightly linked to institutional ethnographies. These ethnographies might support or hamper coping for women leaders, especially during times of crisis.

Keywords: capability approach, women leaders, higher education, COVID-19

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Authors: Vineeta Kaushik, Manisha Goel

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Chaperones are proteins that help other proteins fold correctly, and are found in all domains of life i.e., prokaryotes, eukaryotes and archaea. Various comparative genomic studies have suggested that the archaeal protein folding machinery appears to be highly similar to that found in eukaryotes. In case of protein folding; slow rotation of peptide prolyl-imide bond is often the rate limiting step. Formation of the prolyl-imide bond during the folding of a protein requires the assistance of other proteins, termed as peptide prolyl cis-trans isomerases (PPIases). Cyclophilins constitute the class of peptide prolyl isomerases with a wide range of biological function like protein folding, signaling and chaperoning. Most of the cyclophilins exhibit PPIase enzymatic activity and play active role in substrate protein folding which classifies them as a category of molecular chaperones. Till date, there is not very much data available in the literature on archaeal cyclophilins. We aim to compare the structural and biochemical features of the cyclophilin protein from within the three domains to elucidate the features affecting their stability and enzyme activity. In the present study, we carry out in-silico analysis of the cyclophilin proteins to predict their conserved residues, sites under positive selection and compare these proteins to their bacterial and eukaryotic counterparts to predict functional divergence. We also aim to clone and express these proteins in heterologous system and study their biophysical characteristics in detail using techniques like CD and fluorescence spectroscopy. Overall we aim to understand the features contributing to the folding, stability and dynamics of the archaeal cyclophilin proteins.

Keywords: biophysical characterization, x-ray crystallography, chaperone-like activity, cyclophilin, PPIase activity

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Authors: Patik Joslin Kenfack, Polyakov Vladimir Mikhailovich

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Machine Learning (ML) systems are trained using human generated data that could be biased by implicitly containing racist, sexist, or discriminating data. ML models learn those biases or even amplify them. Recent research in work on has begun to consider issues of fairness. The concept of fairness is extended to recommendation. A recommender system will be considered fair if it doesn’t under rank items of protected group (gender, race, demographic...). Several metrics for evaluating fairness concerns in recommendation systems have been proposed, which take pairs of items as ‘instances’ in fairness evaluation. It doesn’t take in account the fact that the fairness should be evaluated across a list of items. The paper explores a probabilistic approach that generalize pairwise metric by using a list k (listwise) of items as ‘instances’ in fairness evaluation, parametrized by k. We also explore new regularization method based on this metric to improve fairness ranking during model training.

Keywords: Fairness, Recommender System, Ranking, Listwise Approach

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Authors: Malathi Balakrishnan, Gananathan M. Nadarajah, Saraswathy Vellasamy, Evelyn Gnanam William George

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The purpose of the study is to explore how the fun game-learning approach enhances teacher trainers’ higher order thinking skills. Two-day fun filled fun game learning-approach was introduced to teacher trainers as a Continuous Professional Development Program (CPD). 26 teacher trainers participated in this Transformation of Teaching and Learning Fun Way Program, organized by Institute of Teacher Education Malaysia. Qualitative research technique was adopted as the researchers observed the participants’ higher order thinking skills developed during the program. Data were collected from observational checklist; interview transcriptions of four participants and participants’ reflection notes. All the data were later analyzed with NVivo data analysis process. The finding of this study presented five main themes, which are critical thinking, hands on activities, creating, application and use of technology. The studies showed that the teacher trainers’ higher order thinking skills were enhanced after the two-day CPD program. Therefore, Institute of Teacher Education will have more success using the fun way game-learning approach to develop higher order thinking skills among its teacher trainers who can implement these skills to their trainee teachers in future. This study also added knowledge to Constructivism learning theory, which will further highlight the prominence of the fun way learning approach to enhance higher order thinking skills.

Keywords: constructivism, game-learning approach, higher order thinking skill, teacher trainer

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Authors: Hamidreza Akbari

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In this paper, for detection of inclined eccentricity in an induction motor, time–frequency analysis of the stator startup current is carried out. For this purpose, the discrete wavelet transform is used. Data are obtained from simulations, using winding function approach. The results show the validity of the approach for detecting the fault and discriminating with respect to other faults.

Keywords: induction machine, fault, DWT, electric

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Authors: Ola A. Younis, Said Ghoul

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Systems running these days are huge, complex and exist in many versions. Controlling these versions and tracking their changes became a very hard process as some versions are created using meaningless names or specifications. Many versions of a system are created with no clear difference between them. This leads to mismatching between a user’s request and the version he gets. In this paper, we present a system versions meta-modeling approach that produces versions based on system’s features. This model reduced the number of steps needed to configure a release and gave each version its unique specifications. This approach is applicable for systems that use features in its specification.

Keywords: features, meta-modeling, semantic modeling, SPL, VCS, versioning

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Authors: Ghada Badr, Manar Hosny, Nuha Bintayyash, Eman Albilali, Souad Larabi Marie-Sainte

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The median problem is significantly applied to derive the most reasonable rearrangement phylogenetic tree for many species. More specifically, the problem is concerned with finding a permutation that minimizes the sum of distances between itself and a set of three signed permutations. Genomes with equal number of genes but different order can be represented as permutations. In this paper, an algorithm, namely BeamGA median, is proposed that combines a heuristic search approach (local beam) as an initialization step to generate a number of solutions, and then a Genetic Algorithm (GA) is applied in order to refine the solutions, aiming to achieve a better median with the smallest possible reversal distance from the three original permutations. In this approach, any genome rearrangement distance can be applied. In this paper, we use the reversal distance. To the best of our knowledge, the proposed approach was not applied before for solving the median problem. Our approach considers true biological evolution scenario by applying the concept of common intervals during the GA optimization process. This allows us to imitate a true biological behavior and enhance genetic approach time convergence. We were able to handle permutations with a large number of genes, within an acceptable time performance and with same or better accuracy as compared to existing algorithms.

Keywords: median problem, phylogenetic tree, permutation, genetic algorithm, beam search, genome rearrangement distance

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Authors: Sie Long Kek, Wah June Leong, Kok Lay Teo

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Linear quadratic Gaussian model is a standard mathematical model for the stochastic optimal control problem. The combination of the linear quadratic estimation and the linear quadratic regulator allows the state estimation and the optimal control policy to be designed separately. This is known as the separation principle. In this paper, an efficient computational method is proposed to solve the linear quadratic Gaussian problem. In our approach, the Hamiltonian function is defined, and the necessary conditions are derived. In addition to this, the output error is defined and the least-square optimization problem is introduced. By determining the first-order necessary condition, the gradient of the sum squares of output error is established. On this point of view, the stochastic approximation approach is employed such that the optimal control policy is updated. Within a given tolerance, the iteration procedure would be stopped and the optimal solution of the linear-quadratic Gaussian problem is obtained. For illustration, an example of the linear-quadratic Gaussian problem is studied. The result shows the efficiency of the approach proposed. In conclusion, the applicability of the approach proposed for solving the linear quadratic Gaussian problem is highly demonstrated.

Keywords: iteration procedure, least squares solution, linear quadratic Gaussian, output error, stochastic approximation

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Authors: Adewoyin O. Olusegun, Emmanuel O. Joshua, Marvel L. Akinyemi

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The heterogeneous nature of the subsurface requires the use of factual information to deal with rather than assumptions or generalized equations. Therefore, there is need to determine the actual rate of settlement possible in the soil before structures are built on it. This information will help in determining the type of foundation design and the kind of reinforcement that will be necessary in constructions. This paper presents a simplified and a faster approach for determining foundation settlement in any type of soil using real field data acquired from seismic refraction techniques and cone penetration tests. This approach was also able to determine the depth of settlement of each strata of soil. The results obtained revealed the different settlement time and depth of settlement possible.

Keywords: heterogeneous, settlement, foundation, seismic, technique

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Authors: Hamesh Babu Nanvala, Madhuri Malhal Rao

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The overall development of the Institution is dependent on the approach and attitude of the principal. Influence of principal’s professionalism on overall development of the Institution is the aim of this paper. Professionalism means conducting oneself with responsibility, integrity, accountability and excellence. The predominant characteristic of professionalism is the temperament of oneself to work in the public interest. By summarizing the observations based on authors’ experience regarding professionalism of principals towards the development of their respective institutions and correlating these observations with the findings in the literature and opinion of other principals and staff, the authors conceived a conceptual approach with its attributes by practicing suggested approach principals that can achieve overall development of their institutions.

Keywords: achiever, development, institution, principal, professionalism, student, teacher

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Authors: Emmanuel Iyamuremye, Irenee Ndayambaje

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This study investigated the influence of Concrete Pictorial Abstract (CPA) teaching approach on mathematics achievement based on a sample of eighth-grade students (N = 10,345) from the Rwandan Lower Secondary School quasi-experimental study with pre-test and post-test control group of 2019 (RLSQES19). Key aspects studied included mathematics concept understanding and mathematics concept retention and how these are influenced by teacher's teaching approach. Specifically, the study aimed to a.) investigate students' concept understanding and concept retention in mathematics when exposed to CPA approach and to those exposed to non-CPA approach before and after the intervention, and b.) ascertain the significant difference between the performance of the students exposed to CPA approach and those exposed to non-CPA approach in terms of post-test scores and retention test scores. Two groups (control and experimental) undergone pre-test, post-test, and retention test. The assignment of control and experimental group among senior two classes from 10 schools was done randomly. The materials used to determine the performance of the students is a teacher-made test. Descriptive statistics and ANCOVA were used for the analysis of the study. For determining the improvement in concept understanding of mathematics, Hakes methods of calculating gain were used to analyze the pre-test and post test score. The level of performance of the two groups in the pre-test is below average level. During the post-test and retention test, the performance of students in non-CPA group is on average level, and students in CPA group are on above average level. Hakes methods of calculating gain revealed higher significant performance in the post-test and retention test of CPA group of students than non-CPA group of students.

Keywords: concept understanding, concept retention, performance, teaching approach

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Authors: Rasha Alshaye

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Blended learning has become an innovative model that combines face-to-face with e-learning approaches. The Saudi Electronic University (SEU) has adopted blended learning as a flexible approach that provides instructors and learners with a motivating learning environment to stimulate the teaching and learning process. This study investigates the perceptions of English language instructors, teaching the four English language skills at Saudi Electronic University. Four main domains were examined in this study; challenges that the instructors encounter while implementing the blended learning approach, enhancing student-instructor interaction, flexibility in teaching, and the lack of technical skills. Furthermore, the study identifies and represents the instructors’ aspirations and plans to utilize this approach in enhancing the teaching and learning experience. Main findings indicate that instructors at Saudi Electronic University experience some challenges while teaching the four language skills. However, they find the blended learning approach motivating and flexible for them and their students. This study offers some important understandings into how instructors are applying the blended learning approach and how this process can be enriched.

Keywords: blended learning, English language skills, English teaching, instructors' perceptions

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Authors: Agnieszka S. Dzielendziak, Lindsay-Marie Armstrong, Matthew E. Potter, Robert Raja, Pier J. A. Sazio

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Reducing carbon dioxide, CO₂, is one of the greatest global challenges. Conversion of CO₂ for utilisation across synthetic fuel, pharmaceutical, and agrochemical industries offers a promising option, yet requires significant research to understanding the complex multiscale processes involved. To experimentally understand and optimize such processes at that catalytic sites and exploring the impact of the process at reactor scale, is too expensive. Computational methods offer significant insight and flexibility but require a more detailed multi-scale approach which is a significant challenge in itself. This work introduces a computational approach which incorporates detailed catalytic models, taken from experimental investigations, into a larger-scale computational flow dynamics framework. The reactor-scale species transport approach is modified near the catalytic walls to determine the influence of catalytic clustering regions. This coupling approach enables more accurate modelling of velocity, pressures, temperatures, species concentrations and near-wall surface characteristics which will ultimately enable the impact of overall reactor design on chemical conversion performance.

Keywords: catalysis, CCU, CO₂, multi-scale model

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Authors: Akanksha Bhatnagar, Sandhya Kortegare, Felice Elefant

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Context: Alzheimer's disease (AD) is a neurodegenerative disorder that is characterized by progressive cognitive decline and memory loss. The cause of AD is not fully understood, but it is thought to be caused by a combination of genetic, environmental, and lifestyle factors. One of the hallmarks of AD is the loss of neurons in the hippocampus, a brain region that is important for memory and learning. This loss of neurons is thought to be caused by a decrease in histone acetylation, which is a process that regulates gene expression. Research Aim: The research aim of the study was to develop mall molecule compounds that can enhance the activity of Tip60, a histone acetyltransferase that is important for memory and learning. Methodology/Analysis: The researchers used in silico structural modeling and a pharmacophore-based virtual screening approach to design and synthesize small molecule compounds strongly predicted to target and enhance Tip60’s HAT activity. The compounds were then tested in vitro and in vivo to assess their ability to enhance Tip60 activity and rescue cognitive deficits in AD models. Findings: The researchers found that several of the compounds were able to enhance Tip60 activity and rescue cognitive deficits in AD models. The compounds were also developed to cross the blood-brain barrier, which is an important factor for the development of potential AD therapeutics. Theoretical Importance: The findings of this study suggest that Tip60 HAT activators have the potential to be developed as therapeutic agents for AD. The compounds are specific to Tip60, which suggests that they may have fewer side effects than other HDAC inhibitors. Additionally, the compounds are able to cross the blood-brain barrier, which is a major hurdle for the development of AD therapeutics. Data Collection: The study collected data from a variety of sources, including in vitro assays and animal models. The in vitro assays assessed the ability of compounds to enhance Tip60 activity using histone acetyltransferase (HAT) enzyme assays and chromatin immunoprecipitation assays. Animal models were used to assess the ability of the compounds to rescue cognitive deficits in AD models using a variety of behavioral tests, including locomotor ability, sensory learning, and recognition tasks. The human clinical trials will be used to assess the safety and efficacy of the compounds in humans. Questions: The question addressed by this study was whether Tip60 HAT activators could be developed as therapeutic agents for AD. Conclusions: The findings of this study suggest that Tip60 HAT activators have the potential to be developed as therapeutic agents for AD. The compounds are specific to Tip60, which suggests that they may have fewer side effects than other HDAC inhibitors. Additionally, the compounds are able to cross the blood-brain barrier, which is a major hurdle for the development of AD therapeutics. Further research is needed to confirm the safety and efficacy of these compounds in humans.

Keywords: Alzheimer's disease, cognition, neuroepigenetics, drug discovery

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Authors: Khin Thanda Win, Chunying Zhang, Sanghyeob Lee

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Mildew resistance locus o (Mlo), a plant-specific gene family with seven-transmembrane (TM), plays an important role in plant resistance to powdery mildew (PM). PM caused by Podosphaera xanthii is a widespread plant disease and probably represents the major fungal threat for many Cucurbits. The recent Cucurbita maxima genome sequence data provides an opportunity to identify and characterize the MLO gene family in this species. Total twenty genes (designated CmaMLO1 through CmaMLO20) have been identified by using an in silico cloning method with the MLO gene sequences of Cucumis sativus, Cucumis melo, Citrullus lanatus and Cucurbita pepo as probes. These CmaMLOs were evenly distributed on 15 chromosomes of 20 C. maxima chromosomes without any obvious clustering. Multiple sequence alignment showed that the common structural features of MLO gene family, such as TM domains, a calmodulin-binding domain and 30 important amino acid residues for MLO function, were well conserved. Phylogenetic analysis of the CmaMLO genes and other plant species reveals seven different clades (I through VII) and only clade IV is specific to monocots (rice, barley, and wheat). Phylogenetic and structural analyses provided preliminary evidence that five genes belonged to clade V could be the susceptibility genes which may play the importance role in PM resistance. This study is the first comprehensive report on MLO genes in C. maxima to our knowledge. These findings will facilitate the functional analysis of the MLOs related to PM susceptibility and are valuable resources for the development of disease resistance in pumpkin.

Keywords: Mildew resistance locus o (Mlo), powdery mildew, phylogenetic relationship, susceptibility genes

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Authors: Abderrahmane Khiat, Moussa Benaissa

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Due to the increasing number of sources of information available on the web and their distribution and heterogeneity, ontology alignment became a very important and inevitable problem to ensure semantic interoperability. Instance-based ontology alignment is based on the comparison of the extensions of concepts; and represents a very promising technique to find semantic correspondences between entities of different ontologies. In practice, two situations may arise: ontologies that share many common instances and ontologies that share few or do not share common instances. In this paper, we describe an approach to manage the latter case. This approach exploits the reasoning on ontologies in order to create a corpus of common instances. We show that it is theoretically powerful because it is based on description logics and very useful in practice. We present the experimental results obtained by running our approach on ontologies of OAEI 2012 benchmark test. The results show the performance of our approach.

Keywords: description logic inference, instance-based ontology alignment, semantic interoperability, semantic web

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Authors: Fayaz Ali Shah, Aleena Shehzad

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The incidents of race or racial discrimination is still a part of the advanced and the so-called twenty-first-century America. It not only affects America's society but also greatly influences the third world countries due to the colonial approach by the British and America. Due to this discrimination, hundreds of Blacks in the US have been disappeared or prisoned for crimes they have not committed. The same sort of inequality can be seen in Pakistan due to the discrimination and prejudice by the Pakistani government and militants. Especially the tribal areas of Pakistan have been facing the worst in such situations. Thousands of people have been disappeared since 9/11 due to the adulterous approach by the government and military. The article is an approach to show the still racist view or Black marginalization, on the paradigm of racism, in the novel 'The Guardian' written by John Grisham. Also, it will enlighten readers about Pakistan's military and government approach towards discrimination, which creates great chaos in the country nowadays. The research will be qualitative and will use Critical Race Theory by Delgado and Steffencic for analysis.

Keywords: blacks, colonial, discrimination, disappeared, prison

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Authors: L. Belounar, K. Gerraiche, C. Rebiai, S. Benmebarek

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This paper presents the development of a new three dimensional brick finite element by the use of the strain based approach for the linear analysis of plate bending behavior. The developed element has the three essential external degrees of freedom (U, V and W) at each of the eight corner nodes. The displacements field of the developed element is based on assumed functions for the various strains satisfying the compatibility and the equilibrium equations. The performance of this element is evaluated on several problems related to thick and thin plate bending in linear analysis. The obtained results show the good performances and accuracy of the present element.

Keywords: brick element, strain approach, plate bending, civil engineering

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Authors: Gajanan M. Sonwane

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The computational studies on 2-phenazinamines with their protein targets have been carried out to design compounds with potential anticancer activity. This strategy of designing compounds possessing selectivity over specific tyrosine kinase has been achieved through G-QSAR and molecular docking studies. The objective of this research has been to design newer 2-phenazinamine derivatives as Bcr-Abl tyrosine kinase inhibitors by G-QSAR, molecular docking studies followed by wet-lab studies along with evaluation of their anticancer potential. Computational chemistry was done by using VLife MDS 4.3 and Autodock 4.2 followed by wet-lab experiments for synthesizing 2-phenazinamine derivatives. The chemical structures of ligands in 2D were drawn by employing Chemdraw 2D Ultra 8.0 and were converted into 3D. These were optimized by using a semi-empirical method called MOPAC. The protein structure was retrieved from RCSC protein data bank as a PDB file. The binding interactions of protein and ligands were done by using PYMOL. The molecular properties of the designed compounds were predicted in silico by using Osiris property explorer. The parent compound 2-phenazinamine was synthesized by reduction of 2, 4-dinitro-N-phenyl-benzenamine in the presence of tin chloride followed by cyclization in the presence of nitrobenzene and magnesium sulfate. The derivatization at the amino function of 2-phenazinamine was performed by treating parent compound with various aldehydes in the presence of dicyclohexylcarbodiimide (DCC) and urea to afford 2-(2-chlorophenyl)-3-(phenazine-2-yl) thiazolidine-4-one. Synthesized 39 novel derivatives of 2-phenazinamine and performed antioxidant activity, anti antiproliferative on the bulb of onion and anticancer activity on cell line showing significant competition with marked blockbuster drug imatinib.

Keywords: computer-aided drug design, tyrosin kinases, anticancer, docking

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Authors: Manel Brichni, Abdelhak-Djamel Seriai

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Systems are increasingly complex. To reduce their complexity, an abstract view of the system can simplify its development. To overcome this problem, we propose a method to decompose systems into subsystems while reducing their coupling. These subsystems represent components. Consisting of an existing object-oriented systems, the main idea of our approach is based on modelling as graphs all entities of an oriented object source code. Such modelling is easy to handle, so we can apply restructuring algorithms based on graph metrics. The particularity of our approach consists in integrating in addition to standard metrics, such as coupling and cohesion, some graph metrics giving more precision during the components identication. To treat this problem, we relied on the ROMANTIC approach that proposed a component-based software architecture recovery from an object oriented system.

Keywords: software reengineering, software component and interfaces, metrics, graphs

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Authors: Maali Kachouri, Anis Jarboui

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We focus on the causal relationship between governance and information transparency as well as interrelation among the various governance mechanisms. This paper employs a simultaneous equations approach to show this relationship in the Tunisian context. Based on an 8-year dataset, our sample covers 28 listed companies over 2006-2013. Our findings suggest that internal and external governance mechanisms are interdependent. Moreover, in order to analyze the causal effect between information transparency and governance mechanisms, we found evidence that information transparency tends to increase good corporate governance practices.

Keywords: simultaneous equations approach, transparency, causal relationship, corporate governance

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Authors: Nakache Radouane, M. Boukelloul, M. Fredj

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Method room and pillar sizes are key factors for safe mining and their recovery in open-stop mining. This method is advantageous due to its simplicity and requirement of little information to be used. It is probably the most representative method among the total load approach methods although it also remains a safe design method. Using a finite element software (PLAXIS 3D), analyses were carried out with an elasto-plastic model and comparisons were made with methods based on the total load approach. The results were presented as the optimization for improving the ore recovery rate while maintaining a safe working environment.

Keywords: room and pillar, mining, total load approach, elasto-plastic

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Authors: R. Sonda, F. Pellini, A. Invento, S. Mirandola, F. Riolfatti, D. Grigolato, G. P. Pollini

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The purpose of study is to assess utility of 18F-FDG PET/CT in patients with breast heteroplasia and possibility of changing the surgery/therapeutic treatment. Among these "under fourty-five" candidated for NAC, the prevalence of change in therapeutic approach in comparison with first and second level exams has been: 43.75%, while by 22% among the "over forty-five". The surgical timing according to first-level exams have been deferred in 31.46% cases; PET/CT has led to a change in therapeutic treatment of 48.31% on the previous given; then the addition of MRI has led to a similar variation. For all the total patients, the prevalent choice was found to the debulking approach by increasing from a prevalence of 12.92% to 15.17%, resulting in a reduction of conservative one.The present study set itself the objective to demonstrate how the FDG PET/CT could improve on breast imaging according to a more appropriate surgery.

Keywords: breast cancer, FGD PET/CT, preoperative staging, surgical approach

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Authors: Alireza Jalalvand, Maryam Saleh, Somayeh Behjat Khatouni, Zahra Bahri Najafi, Foroozan Fatahinia, Narges Ismailzadeh, Behrokh Farahmand

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Object: In the last two decades, the recent outbreak of Coronavirus (SARS-CoV-2) imposed a global pandemic in the world. Despite the increasing prevalence of the disease, there are no effective drugs to treat it. A suitable and rapid way to afford an effective drug and treat the global pandemic is a computational drug study. This study used molecular docking methods to examine the potential inhibition of over 50 antiviral drugs against three fundamental proteins of SARS-CoV-2. METHODS: Through a literature review, three important proteins (a key protease, RNA-dependent RNA polymerase (RdRp), and spike) were selected as drug targets. Three-dimensional (3D) structures of protease, spike, and RdRP proteins were obtained from the Protein Data Bank. Protein had minimal energy. Over 50 antiviral drugs were considered candidates for protein inhibition and their 3D structures were obtained from drug banks. The Autodock 4.2 software was used to define the molecular docking settings and run the algorithm. RESULTS: Five drugs, including indinavir, lopinavir, saquinavir, nelfinavir, and remdesivir, exhibited the highest inhibitory potency against all three proteins based on the binding energies and drug binding positions deduced from docking and hydrogen-bonding analysis. Conclusions: According to the results, among the drugs mentioned, saquinavir and lopinavir showed the highest inhibitory potency against all three proteins compared to other drugs. It may enter laboratory phase studies as a dual-drug treatment to inhibit SARS-CoV-2.

Keywords: covid-19, drug repositioning, molecular docking, lopinavir, saquinavir

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Authors: Daniel C. Bonzo

Abstract:

Practical considerations lead to the use of unit of analysis within subjects, e.g., bleeding episodes or treatment-related adverse events, in rare disease settings. This is coupled with data augmentation techniques such as extrapolation to enlarge the subject base. In general, one can think about extrapolation of data as extending information and conclusions from one estimand to another estimand. This approach induces hierarchichal clustered data with varying cluster sizes. Extrapolation of clinical trial data is being accepted increasingly by regulatory agencies as a means of generating data in diverse situations during drug development process. Under certain circumstances, data can be extrapolated to a different population, a different but related indication, and different but similar product. We consider here the problem of estimation (point and interval) using a mixed-models approach under an extrapolation. It is proposed that estimators (point and interval) be constructed using weighting schemes for the clusters, e.g., equally weighted and with weights proportional to cluster size. Simulated data generated under varying scenarios are then used to evaluate the performance of this approach. In conclusion, the evaluation result showed that the approach is a useful means for improving statistical inference in rare disease settings and thus aids not only signal detection but risk-benefit evaluation as well.

Keywords: clustered data, estimand, extrapolation, mixed model

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Authors: Chander Kant, Arun Kumar

Abstract:

Biometric systems automatically recognize an individual based on his/her physiological and behavioral characteristics. There are also some traits like weight, age, height etc. that may not provide reliable user recognition because of there common and temporary nature. These traits are called soft bio metric traits. Although soft bio metric traits are lack of permanence to uniquely and reliably identify an individual, yet they provide some beneficial evidence about the user identity and may improve the system performance. Here in this paper, we have proposed an approach for integrating the soft bio metrics with fingerprint and face to improve the performance of personal authentication system. In our approach we have proposed a combined architecture of three different sensors to elevate the system performance. The approach includes, soft bio metrics, fingerprint and face traits. We have also proven the efficiency of proposed system regarding FAR (False Acceptance Ratio) and total response time, with the help of MUBI (Multimodal Bio metrics Integration) software.

Keywords: FAR, minutiae point, multimodal bio metrics, primary bio metric, soft bio metric

Procedia PDF Downloads 346