Search results for: computational tools

Authors: Nor Diana Ahmad, Eric Atwell, Brandon Bennett

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Text processing techniques for English have been developed for several decades. But for the Malay language, text processing methods are still far behind. Moreover, there are limited resources, tools for computational linguistic analysis available for the Malay language. Therefore, this research presents the use of natural language processing (NLP) in processing Malay translated Qur’an text. As the result, a new language resource for Malay translated Qur’an was created. This resource will help other researchers to build the necessary processing tools for the Malay language. This research also develops a simple question-answer prototype to demonstrate the use of the Malay Qur’an resource for text processing. This prototype has been developed using Python. The prototype pre-processes the Malay Qur’an and an input query using a stemming algorithm and then searches for occurrences of the query word stem. The result produced shows improved matching likelihood between user query and its answer. A POS-tagging algorithm has also been produced. The stemming and tagging algorithms can be used as tools for research related to other Malay texts and can be used to support applications such as information retrieval, question answering systems, ontology-based search and other text analysis tasks.

Keywords: language resource, Malay translated Qur'an, natural language processing (NLP), text processing

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Authors: Mintu Philip, Renumol V. G.

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An introductory programming course is a major challenge faced in Computing Education. Many of the introductory programming courses fail because student concentrate mainly on writing programs using a programming language rather than involving in problem solving. Computational thinking is a general approach to solve problems. This paper proposes a new preliminary course that aims to develop computational thinking skills in students, which may help them to become good programmers. The proposed course is designed based on the four basic components of computational thinking - abstract thinking, logical thinking, modeling thinking and constructive thinking. In this course, students are engaged in hands-on problem solving activities using a new problem solving model proposed in this paper.

Keywords: computational thinking, computing education, abstraction, constructive thinking, modelling thinking

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Authors: Nouf Alourfi

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This study examines the metabolism of amitriptyline (AMI) and verapamil (VER) using a KNIME-based method. KNIME improved workflow is an open-source data-analytics platform that integrates a number of open-source metabolomics tools such as CFMID and MetFrag to provide standard data visualisations, predict candidate metabolites, assess them against experimental data, and produce reports on identified metabolites. The use of this workflow is demonstrated by employing three types of liver microsomes (human, rat, and Guinea pig) to study the in vitro metabolism of the two drugs (AMI and VER). This workflow is used to create and treat UPLC-MS (Orbitrap) data. The formulas and structures of these drugs' metabolites can be assigned automatically. The key metabolic routes for amitriptyline are hydroxylation, N-dealkylation, N-oxidation, and conjugation, while N-demethylation, O-demethylation and N-dealkylation, and conjugation are the primary metabolic routes for verapamil. The identified metabolites are compatible to the published, clarifying the solidity of the workflow technique and the usage of computational tools like KNIME in supporting the integration and interoperability of emerging novel software packages in the metabolomics area.

Keywords: KNIME, CFMID, MetFrag, Data Analysis, Metabolomics

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Authors: Asim Qayyum, David Smith

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The use of information tools is a common activity for students of any educational stage when they encounter online learning activities. Finding the relevant information for particular learning tasks is the topic of this paper as it investigates the use of information tools for a group of student participants. The paper describes and discusses the results with particular implications for use in higher education, and the findings suggest that improvement in assessment design and subsequent student learning may be achieved by structuring the purposefulness of information tools usage and online reading behaviors of university students.

Keywords: information tools, assessment, online learning, student assessment experience

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Authors: Le Chen

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This paper presents an efficient tool platform scheme to ensure quality protection throughout the software development process. The main principle is to manage the information of requirements, design, development, testing, operation and maintenance process with proper tools, and to set up the quality standards of each process. Through the tools’ display and summary of quality standards, the quality standards can be visualizad and ready for policy decision, which is called Quality Gate in this paper. In addition, the tools are also integrated to achieve the exchange and relation of information which highly improving operational efficiency. In this paper, the feasibility of the scheme is verified by practical application of development projects, and the overall information display and data mining are proposed to be further improved.

Keywords: efficiency, quality gate, software process, tools

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Authors: Avishkar Gawade, Omkar Bansode, Ketan Bhambure, Bhargav Deore

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In recent year wide range of business intelligence technology have been applied to different area in order to support decision making process BI enables extraction of knowledge from data store. BI tools usually used in public health field for financial and administrative purposes.BI uses a dashboard in presentation stage to deliver information to information to end users.In this paper,we intend to analyze some open source BI tools on the market and their applicability in the clinical sphere taking into consideration the general characteristics of the clinical environment.A pervasive BI platform was developed using a real case in order to prove the tool viability.Analysis of various BI Tools in done with the help of several parameters such as data security,data integration,data quality reporting and anlaytics,performance,scalability and cost effectivesness.

Keywords: CDSS, EHR, business intelliegence, tools

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Authors: Eunice Tang

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The main focus of this study is investigating introvert and extrovert university students’ perception of the use of interactive digital tools (such as Padlet and Mentimeter) in a face-to-face English for Specific Purposes (ESP) class after all classes in the university had been switched to online mode for three semesters. The subjects of the study were business students from three ESP classes at The Hong Kong University of Science and Technology. The basic tool for data collection was an anonymous online survey, which included 3 required multiple-choice questions and 3 open questions (2 required; 1 optional) about the effects of interactive digital tools on their amount of contribution to the class discussions, their perception of the role of interactive digital tools to the sharing of ideas and whether the students considered themselves introvert or extrovert. The online survey will be emailed to all 54 students in the three ESP classes and subjected to a three-week data collection period. The survey results will then be analyzed qualitatively, particularly on the effect the use of interactive digital tools had on the amount of contribution to the class among introvert and extrovert students, their perception of a language class with and without digital tools and most importantly, the implication to educators about how interactive digital tools can be used (or not) to cater for the needs of the introvert and extrovert students. The pandemic has given educators various opportunities to use interactive digital tools in class, especially in an online environment. It is interesting for educators to explore the potential of such tools when classes are back face-to-face. This research thus offers the students’ perspective on using interactive digital tools in a face-to-face classroom. While a lot has been said about introverted students responding positively to digital learning online, the student's perception of their own personality collected in the survey and the digital impact tools have on their contribution to class may shed some light on the potential of interactive digital tools in a post-pandemic era.

Keywords: psychology for language learning, interactive digital tools, personality-based investigation, ESP

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Authors: Raana Babadi Fathipour

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Strict prerequisites of logical diaries united ought to demonstrate the exploratory information is (in)significant from the statistical point of view and has driven a soak increment within the utilization and advancement of the factual program. It is essential that the utilization of numerical and measurable strategies, counting chemometrics and many other factual methods/algorithms in nourishment science and innovation has expanded steeply within the final 20 a long time. Computational apparatuses accessible can be utilized not as it were to run factual investigations such as univariate and bivariate tests as well as multivariate calibration and improvement of complex models but also to run reenactments of distinctive scenarios considering a set of inputs or essentially making expectations for particular information sets or conditions. Conducting a fast look within the most legitimate logical databases (Pubmed, ScienceDirect, Scopus), it is conceivable to watch that measurable strategies have picked up a colossal space in numerous regions.

Keywords: food science, food technology, food safety, computational tools

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Authors: Zhikal Qadir Salih, Hanife Bensen

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As the advent of modern technology continues to make towering impacts on everything, its relevance permeates to all spheres, language learning, and writing skills in particular not an exception. This study aimed at finding out how EFL learners perceive online tools to improve their writing skills. The study was carried out at Tishk University. Copies of the questionnaire were distributed to the participants, in order to elicit their perceptions. The collected data were subjected to descriptive and inferential statistics. The outcome revealed that the participants have positive perceptions about online tools in using them to enhance their writing skills. The study however found out that both gender and the class level of the participants do not make any significant difference in their perceptions about the use of online tools, as far as writing skill is concerned. Based on these outcomes, relevant recommendations were made.

Keywords: online tools, writing skills, EFL learners, language learning

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Authors: Elke Meex, Elke Knapen, Griet Verbeeck

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The focus of sustainable building is gradually shifting from energy efficiency towards the more global environmental impact of building design during all life-cycle stages. In this context, many tools have been developed that use a LCA-approach to assess the environmental impact on a whole building level. Since the building design strongly influences the final environmental performance and the architect plays a key role in the design process, it is important that these tools are adapted to his work method and support the decision making from the early design phase on. Therefore, a comparative evaluation of the degree of architect-friendliness of some LCA tools on building level is made, based on an evaluation framework specifically developed for the architect’s viewpoint. In order to allow comparison of the results, a reference building has been designed, documented for different design phases and entered in all software tools. The evaluation according to the framework shows that the existing tools are not very architect-friendly. Suggestions for improvement are formulated.

Keywords: architect-friendliness, design supportive value, evaluation framework, tool comparison

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Authors: Adekunle Taiwo Adenike, I. K. Ogundoyin

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Lassa fever is a neglected tropical virus that has become a significant public health issue in Nigeria, with the country having the greatest burden in Africa. This paper presents a Geo-Computational Model for Analysis and Prediction of Lassa Fever Dynamics and Outbreaks in Nigeria. The model investigates the dynamics of the virus with respect to environmental factors and human populations. It confirms the role of the rodent host in virus transmission and identifies how climate and human population are affected. The proposed methodology is carried out on a Linux operating system using the OSGeoLive virtual machine for geographical computing, which serves as a base for spatial ecology computing. The model design uses Unified Modeling Language (UML), and the performance evaluation uses machine learning algorithms such as random forest, fuzzy logic, and neural networks. The study aims to contribute to the control of Lassa fever, which is achievable through the combined efforts of public health professionals and geocomputational and machine learning tools. The research findings will potentially be more readily accepted and utilized by decision-makers for the attainment of Lassa fever elimination.

Keywords: geo-computational model, lassa fever dynamics, lassa fever, outbreak prediction, nigeria

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Authors: Paulo Mendonca, Nzar Faiq Naqeshbandi

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The objective of this study is to propose an interactive design environment that outlines the underlying computational framework to reach self-supporting overhangs. The research demonstrates the digital printability of overhangs taking into consideration factors related to the geometry design, the material used, the applied support, and the printing set-up of slicing and the extruder inclination. Parametric design tools can contribute to the design phase, form-finding, and stability optimization of self-supporting structures while printing in order to hold the components in place until they are sufficiently advanced to support themselves. The challenge is to ensure the stability of the printed parts in the critical inclinations during the whole fabrication process. Facilitating the identification of parameterization will allow to predict and optimize the process. Later, in the light of the previous findings, some guidelines of simulations and physical tests are given to be conducted for estimating the structural and functional performance.

Keywords: additive manufacturing, overhangs, self-support overhangs, printability, parametric tools

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Authors: M. Iommi, G. Losco

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Current building sector is focused on reduction of energy requirements, on renewable energy generation and on regeneration of existing urban areas. These targets need to be solved with a systemic approach, considering several aspects simultaneously such as climate conditions, lighting conditions, solar radiation, PV potential, etc. The solar access analysis is an already known method to analyze the solar potentials, but in current years, simulation tools have provided more effective opportunities to perform this type of analysis, in particular in the early design stage. Nowadays, the study of the solar access is related to the easiness of the use of simulation tools, in rapid and easy way, during the design process. This study presents a comparison of three simulation tools, from the point of view of the user, with the aim to highlight differences in the easy-to-use of these tools. Using a real urban context as case study, three tools; Ecotect, Townscope and Heliodon, are tested, performing models and simulations and examining the capabilities and output results of solar access analysis. The evaluation of the ease-to-use of these tools is based on some detected parameters and features, such as the types of simulation, requirements of input data, types of results, etc. As a result, a framework is provided in which features and capabilities of each tool are shown. This framework shows the differences among these tools about functions, features and capabilities. The aim of this study is to support users and to improve the integration of simulation tools for solar access with the design process.

Keywords: energy building design tools, solar access analysis, solar potential, urban planning

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Authors: Pierre Kancir, Jean-Philippe Diguet, Marc Sevaux

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One of the main difficulties in developing multi-robot systems (MRS) is related to the simulation and testing tools available. Indeed, if the differences between simulations and real robots are too significant, the transition from the simulation to the robot won’t be possible without another long development phase and won’t permit to validate the simulation. Moreover, the testing of different algorithmic solutions or modifications of robots requires a strong knowledge of current tools and a significant development time. Therefore, the availability of tools for MRS, mainly with flying drones, is crucial to enable the industrial emergence of these systems. This research aims to present the most commonly used tools for MRS simulations and their main shortcomings and presents complementary tools to improve the productivity of designers in the development of multi-vehicle solutions focused on a fast learning curve and rapid transition from simulations to real usage. The proposed contributions are based on existing open source tools as Gazebo simulator combined with ROS (Robot Operating System) and the open-source multi-platform autopilot ArduPilot to bring them to a broad audience.

Keywords: ROS, ArduPilot, MRS, simulation, drones, Gazebo

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Authors: Bin Liu

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Protein remote homology detection and fold recognition are two most important tasks in protein sequence analysis, which is critical for protein structure and function studies. In this study, we combined the profile-based features with various string kernels, and constructed several computational predictors for protein remote homology detection and fold recognition. Experimental results on two widely used benchmark datasets showed that these methods outperformed the competing methods, indicating that these predictors are useful computational tools for protein sequence analysis. By analyzing the discriminative features of the training models, some interesting patterns were discovered, reflecting the characteristics of protein superfamilies and folds, which are important for the researchers who are interested in finding the patterns of protein folds.

Keywords: protein remote homology detection, protein fold recognition, profile-based features, Support Vector Machines (SVMs)

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Authors: Nerella Srinivas

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This study investigates the role of intellectual property (IP) management in pharmaceutical development, focusing on tools, strategies, and business models for leveraging IP effectively. Using a mixed-methods approach, we conducted case studies and qualitative analyses of IP management frameworks within the pharmaceutical sector. Our methodology included a review of IP tools tailored for pharmaceutical applications, strategic IP models for maximizing competitive advantages, and best practices for organizational efficiency. Findings emphasize the importance of understanding IP law and adopting adaptive strategies, illustrating how IP management can drive industry growth.

Keywords: intellectual property management, pharmaceutical products, IP tools, IP strategies, best practices, business models, innovation

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Authors: Vishnu Pratap Singh Kirar, Madhuri Saxena

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Advancement in sequence data generation technologies is churning out voluminous omics data and posing a massive challenge to annotate the biological functional features. With so much data available, the use of machine learning methods and tools to make novel inferences has become obvious. Machine learning methods have been successfully applied to a lot of disciplines, including computational biology and bioinformatics. Researchers in computational biology are interested to develop novel machine learning frameworks to classify the huge amounts of biological data. In this proposal, it plan to employ novel machine learning approaches to aid the understanding of how apparently innocuous mutations (in intergenic DNA and at synonymous sites) cause diseases. We are also interested in discovering novel functional sites in the genome and mutations in which can affect a phenotype of interest.

Keywords: genome wide association studies (GWAS), next generation sequencing (NGS), deep learning, omics

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Authors: Katarzyna Mleczko

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Processes of production of innovative medical tools have interdisciplinary character. They consist of direct and indirect close cooperation of specialists of different scientific branches. The Knowledge they have seems to be important for undertaken design, construction and manufacturing processes. The Knowledge exchange between participants of these processes is therefore crucial for the final result, which are innovative medical products. The paper draws attention to the necessity of feedback from the end user to the designer / manufacturer of medical tools which will allow for more accurate understanding of user needs. The study describes prerequisites of production processes of innovative medical (surgical) tools including participants and category of knowledge resources occurring in these processes. They are the result of research in selected Polish organizations involved in the production of medical instruments and are the basis for further work on the development of knowledge sharing model in interdisciplinary teams geographically dispersed.

Keywords: interdisciplinary production processes, knowledge exchange, knowledge sharing, medical tools

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Authors: Dale Daniel G. Bodo

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This study investigated the status of the Laboratory Tools and Equipment of the BSHRT Program of Eastern Visayas State University, Tacloban City Campus. Descriptive-correlation method was used which Variables include profile age, gender, acquired NC II, competencies in HRT and the status of the laboratory facilities, tools, and equipment of the BSHRT program. The study also identified significant correlation between the profile of the respondents and the implementation of the BSHRT Program in terms of laboratory tools and equipment. A self-structured survey questionnaire was used to gather relevant data among eighty-seven (87) BSHRT-OJT students. To test the correlations of variables, Pearson Product Moment Coefficient Correlation or Pearson r was used. As a result, the study revealed very interesting results and various significant correlations among the paired variables and as to the implementation of the BSHRT Program. Hence, this study was done to update the status of laboratory tools and equipment of the program.

Keywords: status, BSHRT Program, laboratory tools and equipment, descriptive-correlation

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Authors: Yirui Wang

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In the past few decades, patient safety has been the focus of much attention in the global medical and health field. As medical standards continue to improve and develop, the demand for patient safety is also growing. As one of the important dimensions in assessing patient safety, the Patient Perception Patient Safety Assessment Tool provides unique and valuable information from the patient's own perspective and plays an important role in promoting patient safety. This article aims to summarize and analyze the assessment content, assessment methods and applications of currently commonly used patient-perceived patient safety assessment tools at home and abroad, with a view to providing a reference for medical staff to select appropriate patient-perceived patient safety assessment tools.

Keywords: patients, patient safety, perception, assessment tools, review

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Authors: Branden Heng, Harsheni Siddharthan, Allison Tseng, Paul Toprac, Sarah Abraham, Etienne Vouga

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The goal of this project was to evaluate and document the capabilities and limitations of AI tools for empowering small teams to create high-budget, high-profile (AAA) 3D games typically developed by large studios. Two teams of novice game developers attempted to create two different games using AI and Unreal Engine 5.3. First, the teams evaluated 60 AI art, design, sound, and programming tools by considering their capability, ease of use, cost, and license restrictions. Then, the teams used a shortlist of 12 AI tools for game development. During this process, the following tools were found to be the most productive: (i) ChatGPT 4.0 for both game and narrative concepts and documentation; (ii) Dall-E 3 and OpenArt for concept art; (iii) Beatoven for music drafting; (iv) ChatGPT 4.0 and Github Copilot for generating simple code and to complement human-made tutorials as an additional learning resource. While current generative AI may appear impressive at first glance, the assets they produce fall short of AAA industry standards. Generative AI tools are helpful when brainstorming ideas such as concept art and basic storylines, but they still cannot replace human input or creativity at this time. Regarding programming, AI can only effectively generate simple code and act as an additional learning resource. Thus, generative AI tools are, at best, tools to enhance developer productivity rather than as a system to replace developers.

Keywords: AAA games, AI, automation tools, game development

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Authors: Maria Valeria De Bonis, Gianpaolo Ruocco

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Nowadays, computational modeling is paving new design and verification ways in a number of industrial sectors. The technology is ripe to challenge some case in the Bioengineering and Medicine frameworks: for example, looking at the strategical and ethical importance of oncology research, efforts should be made to yield new and powerful resources to tumor knowledge and understanding. With these driving motivations, we approach this gigantic problem by using some standard engineering tools such as the mathematics behind the biomass transfer. We present here some bacterial colonization studies in complex structures. As strong analogies hold with some tumor proliferation, we extend our study to a benchmark case of solid tumor. By means of a commercial software, we model biomass and energy evolution in arbitrary media. The approach will be useful to cast virtualization cases of cancer growth in human organs, while augmented reality tools will be used to yield for a realistic aid to informed decision in treatment and surgery.

Keywords: bacteria, simulation, tumor, precision medicine

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Authors: Rida Nasir, Waseem Iqbal

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Due to the constant revolution in technology and the increase in anti-forensic techniques used by attackers to remove their traces, professionals often struggle to choose the best tool to be used in digital forensic investigations. This paper compares two of the most well-known and widely used licensed commercial tools, i.e., Encase & FTK. The comparison was drawn on various parameters and features to provide an authentic evaluation of licensed versions of these well-known commercial tools against various real-world scenarios. In order to discover the popularity of these tools within the digital forensic community, a survey was conducted publicly to determine the preferred choice. The dataset used is the Computer Forensics Reference Dataset (CFReDS). A total of 70 features were selected from various categories. Upon comparison, both FTK and EnCase produce remarkable results. However, each tool has some limitations, and none of the tools is declared best. The comparison drawn is completely unbiased, based on factual data.

Keywords: digital forensics, commercial tools, investigation, forensic evaluation

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Authors: N. F. F. Ebecken, G. C. Pereira

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Ecological systems are exposed and are influenced by various natural and anthropogenic disturbances. They produce various effects and states seeking response symmetry to a state of global phase coherence or stability and balance of their food webs. This research project addresses the development of a computational methodology for modeling plankton food webs. The use of algorithms to establish connections, the generation of representative fuzzy multigraphs and application of technical analysis of complex networks provide a set of tools for defining, analyzing and evaluating community structure of coastal aquatic ecosystems, beyond the estimate of possible external impacts to the networks. Thus, this study aims to develop computational systems and data models to assess how these ecological networks are structurally and functionally organized, to analyze the types and degree of compartmentalization and synchronization between oscillatory and interconnected elements network and the influence of disturbances on the overall pattern of rhythmicity of the system.

Keywords: ecological networks, plankton food webs, fuzzy multigraphs, dynamic of networks

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Authors: Marianna Maiaru, Gregory M. Odegard, Josh Kemppainen, Ivan Gallegos, Michael Olaya

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Ceramic matrix composites (CMCs) are typically used in applications that require long-term mechanical integrity at elevated temperatures. CMCs are usually fabricated using a polymer precursor that is initially polymerized in situ with fiber reinforcement, followed by a series of cycles of pyrolysis to transform the polymer matrix into a rigid glass or ceramic. The pyrolysis step typically generates volatile gasses, which creates porosity within the polymer matrix phase of the composite. Subsequent cycles of monomer infusion, polymerization, and pyrolysis are often used to reduce the porosity and thus increase the durability of the composite. Because of the significant expense of such iterative processing cycles, new generations of CMCs with improved durability and manufacturability are difficult and expensive to develop using standard Edisonian approaches. The goal of this research is to develop a computational process-modeling-based approach that can be used to design the next generation of CMC materials with optimized material and processing parameters for maximum strength and efficient manufacturing. The process modeling incorporates computational modeling tools, including molecular dynamics (MD), to simulate the material at multiple length scales. Results from MD simulation are used to inform the continuum-level models to link molecular-level characteristics (material structure, temperature) to bulk-level performance (strength, residual stresses). Processing parameters are optimized such that process-induced residual stresses are minimized and laminate strength is maximized. The multiscale process modeling method developed with this research can play a key role in the development of future CMCs for high-temperature and high-strength applications. By combining multiscale computational tools and process modeling, new manufacturing parameters can be established for optimal fabrication and performance of CMCs for a wide range of applications.

Keywords: digital engineering, finite elements, manufacturing, molecular dynamics

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Authors: Nikolina Ribarić

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This paper compares the readiness of chemistry teachers to use information and communication technologies in chemistry in 2018. and 2021. A survey conducted in 2018 on a sample of teachers showed that most teachers occasionally use visualization and digitization tools in chemistry teaching (65%) but feel that they are not educated enough to use them (56%). Also, most teachers do not have adequate equipment in their schools and are not able to use ICT in teaching or digital tools for visualization and digitization of content (44%). None of the teachers find the use of digitization and visualization tools useless. Furthermore, a survey conducted in 2021 shows that most teachers occasionally use visualization and digitization tools in chemistry teaching (83%). Also, the research shows that some teachers still do not have adequate equipment in their schools and are not able to use ICT in chemistry teaching or digital tools for visualization and digitization of content (14%). Advances in the use of ICT in chemistry teaching are linked to pandemic conditions and the obligation to conduct online teaching. The share of 14% of teachers who still do not have adequate equipment to use digital tools in teaching is worrying.

Keywords: chemistry, digital content, e-learning, ICT, visualization

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Authors: M. Cardenas-Garcia, P. P. Gonzalez-Perez

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Intercellular communication is a necessary condition for cellular functions and it allows a group of cells to survive as a population. Throughout this interaction, the cells work in a coordinated and collaborative way which facilitates their survival. In the case of cancerous cells, these take advantage of intercellular communication to preserve their malignancy, since through these physical unions they can send signs of malignancy. The Wnt/β-catenin signaling pathway plays an important role in the formation of intercellular communications, being also involved in a large number of cellular processes such as proliferation, differentiation, adhesion, cell survival, and cell death. The modeling and simulation of cellular signaling systems have found valuable support in a wide range of modeling approaches, which cover a wide spectrum ranging from mathematical models; e.g., ordinary differential equations, statistical methods, and numerical methods– to computational models; e.g., process algebra for modeling behavior and variation in molecular systems. Based on these models, different simulation tools have been developed from mathematical ones to computational ones. Regarding cellular and molecular processes in cancer, its study has also found a valuable support in different simulation tools that, covering a spectrum as mentioned above, have allowed the in silico experimentation of this phenomenon at the cellular and molecular level. In this work, we simulate and explore the complex interaction patterns of intercellular communication in cancer cells using the Cellulat bioinformatics tool, a computational simulation tool developed by us and motivated by two key elements: 1) a biochemically inspired model of self-organizing coordination in tuple spaces, and 2) the Gillespie’s algorithm, a stochastic simulation algorithm typically used to mimic systems of chemical/biochemical reactions in an efficient and accurate way. The main idea behind the Cellulat simulation tool is to provide an in silico experimentation environment that complements and guides in vitro experimentation in intra and intercellular signaling networks. Unlike most of the cell signaling simulation tools, such as E-Cell, BetaWB and Cell Illustrator which provides abstractions to model only intracellular behavior, Cellulat is appropriate for modeling both intracellular signaling and intercellular communication, providing the abstractions required to model –and as a result, simulate– the interaction mechanisms that involve two or more cells, that is essential in the scenario discussed in this work. During the development of this work we made evident the application of our computational simulation tool (Cellulat) for the modeling and simulation of intercellular communication between normal and cancerous cells, and in this way, propose key molecules that may prevent the arrival of malignant signals to the cells that surround the tumor cells. In this manner, we could identify the significant role that has the Wnt/β-catenin signaling pathway in cellular communication, and therefore, in the dissemination of cancer cells. We verified, using in silico experiments, how the inhibition of this signaling pathway prevents that the cells that surround a cancerous cell are transformed.

Keywords: cancer cells, in silico approach, intercellular communication, key molecules, modeling and simulation

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Authors: Yuxi Liu, Boris Belousov, Mehrzad Esmaeili Charkhab, Oliver Tessmann

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This paper presents a computational solution for designing reconfigurable interlocking structures that are fully assembled with SL Blocks. Formed by S-shaped and L-shaped tetracubes, SL Block is a specific type of interlocking puzzle. Analogous to molecular self-assembly, the aggregation of SL blocks will build a reversible hierarchical and discrete system where a single module can be numerously replicated to compose semi-interlocking components that further align, wrap, and braid around each other to form complex high-order aggregations. These aggregations can be disassembled and reassembled, responding dynamically to design inputs and changes with a unique capacity for reconfiguration. To use these aggregations as architectural structures, we developed computational tools that automate the configuration of SL blocks based on architectural design objectives. There are three critical phases in our work. First, we revisit the hierarchy of the SL block system and devise a top-down-type design strategy. From this, we propose two key questions: 1) How to translate 3D polyominoes into SL block assembly? 2) How to decompose the desired voxelized shapes into a set of 3D polyominoes with interlocking joints? These two questions can be considered the Hamiltonian path problem and the 3D polyomino tiling problem. Then, we derive our solution to each of them based on two methods. The first method is to construct the optimal closed path from an undirected graph built from the voxelized shape and translate the node sequence of the resulting path into the assembly sequence of SL blocks. The second approach describes interlocking relationships of 3D polyominoes as a joint connection graph. Lastly, we formulate the desired shapes and leverage our methods to achieve their reconfiguration within different levels. We show that our computational strategy will facilitate the efficient design of hierarchical interlocking structures with a self-replicating geometric module.

Keywords: computational design, SL-blocks, 3D polyomino puzzle, combinatorial problem

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Authors: Abubakar Abdulkareem, Nasir Haruna Soba

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This study investigates the non-utilization of AI tools for research and academic writing among academic staff in Nigerian universities using the perceived attribute of innovation theory by Rogers as a theoretical framework to guide the investigation. This study was framed in an interpretative research paradigm. A qualitative methodology and case study research design was adopted. Interviews were conducted with 20 academic staff. The study used a thematic analysis process to identify 115 narratives. The narratives are organized into five major categories and further collapsed into five theoretical constructs explaining the non-use of AI tools for research and academic writing. Findings from this study revealed some of the reasons for the non-utilization of AI tools for research and academic writing as lack of Awareness, perceived Complexity, trust and Reliability Concerns, cost and accessibility, ethical and Privacy concerns and, cultural and institutional factors, etc.

Keywords: non-utilization, AI tools, research and academic writing, academic staff

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Authors: N. Dahbi, M. Daoudi

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This paper deals with the use of computational method based on Monte Carlo simulation in order to investigate the transport phenomena of the electron in HgCdTe narrow band gap semiconductor. Via this method we can evaluate the time dependence of the transport parameters: velocity, energy and mobility of electrons through matter (HgCdTe).

Keywords: Monte Carlo, transport parameters, HgCdTe, computational mechanics

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