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Search results for: VIRTUAL SCREENING
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Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
PublicationThis study investigated the solubility of benzenesulfonamide (BSA) as a model compound using experimental and computational methods. New experimental solubility data were collected in the solvents DMSO, DMF, 4FM, and their binary mixtures with water. The predictive model was constructed based on the best-performing regression models trained on available experimental data, and their hyperparameters were optimized using a newly...
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PUB073 Lung Cancer Screening with LDCT – Results of a Small Cohort Continual Monitoring (Pilot Silesian Study)
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Wykorzystanie przesiewowej analityki specjacyjnej w badaniach środowiska. Application of screening speciation analytics in environmental studies
PublicationPodstawowym zadaniem, jakie stoi od dawna przed analitykami, jest udzielenie odpowiedzi na pytanie dotyczące zawartości danego pierwiastka w badanych próbkach (woda, powietrze, gleba). W chwili obecnej taka informacja zazwyczaj jest niewystarczająca. Ze względu na różną toksyczność poszczególnych indywiduów chemicznych staje się konieczne oznaczanie form, w jakich dany pierwiastek występuje w środowisku. Dlatego szczególną rolę...
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Enhancing Product Manufacturing through Smart Virtual Product Development (SVPD) for Industry 4.0
PublicationABSTRACT This paper proposes the Smart Virtual Product Development (SVPD) system, which enhances the industrial product manufacturing processes. The proposed system comprises of three main modules: design knowledge management (DKM), manufacturing capability analysis and process planning (MCAPP), and product inspection planning (PIP). Smart virtual product development system collects, stores, and uses experiential knowledge from...
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An Approach to Bass Enhancement in Portable Computers Employing Smart Virtual Bass Synthesis Algorithms
PublicationThe aim of this paper is to present a novel approach to the Virtual Bass Synthesis (VBS) algorithms applied to portable computers. The developed algorithms are related to intelligent, rule-based setting of synthesis parameters according to music genre of an audio excerpt and to the type of a portable device in use. To find optimum synthesis parameters of the VBS algorithms, subjective listening tests based on a parametric procedure...
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Virtual spring damper method for nonholonomic robotic swarm self-organization and leader following
PublicationIn this paper, we demonstrate a method for self-organization and leader following of nonholonomic robotic swarm based on spring damper mesh. By self-organization of swarm robots we mean the emergence of order in a swarm as the result of interactions among the single robots. In other words the self-organization of swarm robots mimics some natural behavior of social animals like ants among others. The dynamics of two-wheel robot...
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Manufacturing collective intelligence by the means of Decisional DNA and virtual engineering objects, process and factory
PublicationEngineering collective intelligence is paramount in current industrial times. This research proposes and presents case studies for collective knowledge structures required in the industry field. Knowledge structures such as Set of Experience and Decisional DNA are extended into more advanced knowledge structures for manufacturing processes. These structures are called Virtual Engineering Object, Virtual Engineering Process and...
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Virtual Engineering Object (VEO): Toward Experience-Based Design and Manufacturing for Industry 4.0
PublicationIn this article we propose the concept, its framework, and implementation methodology for Virtual Engineering Objects (VEO). A VEO is the knowledge representation of an engineering object that embodies its associated knowledge and experience. A VEO is capable of adding, storing, improving, and sharing knowledge through experience. Moreover, it is demonstrated that VEO is a specialization of a Cyber-Physical System (CPS). In this...
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Multi-criteria Differential Evolution for Optimization of Virtual Machine Resources in Smart City Cloud
PublicationIn a smart city, artificial intelligence tools support citizens and urban services. From the user point of view, smart applications should bring computing to the edge of the cloud, closer to citizens with short latency. However, from the cloud designer point of view, the trade-off between cost, energy and time criteria requires the Pareto solutions. Therefore, the proposed multi-criteria differential evolution can optimize virtual...
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Ella4Life virtual assistant - user centered design strategy - evaluation following labolatory tests
PublicationIn the paper, we summarize the evaluation of Anne4Care system after laboratory tests. A group of end users, seniors over 55 years of age, rated a virtual assistant by completing a questionnaire. The objectives of the pilot evaluations are mainly to assess the feasibility, usability, acceptance and functionality of the system and the ability of the potential target user to use the system and receive valuable information from it...
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Game theory-based virtual machine migration for energy sustainability in cloud data centers
PublicationAs the demand for cloud computing services increases, optimizing resource allocation and energy consumption has become a key factor in achieving sustainability in cloud environments. This paper presents a novel approach to address these challenges through an optimized virtual machine (VM) migration strategy that employs a game-theoretic approach based on particle swarm optimization (PSO) (PSO-GTA). The proposed approach leverages...
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Virtual reality as a tool for development and simulation. Research projects and experience of the Gdańsk University of Technology
PublicationBy supporting the human imagination, virtual reality technology can be applied in almost every human activity. This is evidenced by the cooperation of the Immersive 3D Visualization Lab with specialists representing such different professions from architects and artists, astronomers and chemists, through historians and museologists, criminologists and military educators, mechanical and ship engineers, up to physicians and psychologists....
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Influence of Added Water Mass on Ship Structure Vibration Parameters in Virtual and Real Conditions
PublicationModelling of ship structures in a virtual environment is now standard practice. Unfortunately, many engineers forget to consideri the influence of added water on the frequency values and the amplitude of natural vibrations. The article presents the effect of water damping on the frequency values of the individual natural vibration modes. The tests were carried out in two stages. First, the mentioned values were determined using...
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Virtual tour as an innovative tool for architectural education - from understanding heritage to creativity stimulation
PublicationThe article presents the potential of the virtual tour in architectural education as an innovative tool to better understand heritage and stimulate creativity. A methodology for creating a virtual tour based on a point cloud obtained from a survey based on 360° camera images is presented. Two different purposes for the use of point clouds are presented from reliable indicators of heritage documentation useful for digital twin modelling...
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Overcoming Challenges of Virtual Scrum Teams: Lessons Learned Through an Action Research Study
PublicationAfter the COVID-19 breakout, agile teams found themselves in situations that “pure agilists” and textbooks on agile methods had preferred to ignore. Whereas agile mindsets helped them to quickly shift to remote work, mere virtualization of agile practices often proved insufficient, and several challenges emerged. This paper reports on an Action Research project carried out in Lufthansa Systems Poland with the aim of (1) revisiting...
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Social activities in The Vistula Marshlands
PublicationSocial activities in The Vistula Marshlands favouring development in this part of the Pomeranian Voivodeship and preserving its specific character have recently been a domain of Local Activity Groups, clubs and societies, as well as cultural centres and local schools. The activation of local environment is supported by the possibility of gaining EU grants, particularly 4 LEADER Axis from the Rural Development Programme for years...
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Hydropower potential of the lower Vistula
PublicationThis paper presents an estimate analysis of the hydropower potential of the lower Vistula River from Warsaw to Gdańsk Bay. The calculations were made for a hydraulic model of the lower Vistula which takes into account potential development of barrages in a cascade system. Results obtained from the model simulations and from hydrological calculations were used to estimate the power of hydropower plants and the average annual energy...
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Performance of various risk prediction models in a large lung cancer screening cohort in Gdańsk, Poland—a comparative study
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Cut-off points for Polish-language versions of depression screening tools among patients with Type 2 diabetes
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Assessment of respiratory responses to emotional virtual reality stimuli with non-contact respiration monitoring system
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Integrating Experience-Based Knowledge Representation and Machine Learning for Efficient Virtual Engineering Object Performance
PublicationMachine learning and Artificial Intelligence have grown significant attention from industry and academia during the past decade. The key reason behind interest is such technologies capabilities to revolutionize human life since they seamlessly integrate classical networks, networked objects and people to create more efficient environments. In this paper, the Knowledge Representation technique of Set of Experience...
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Smart Virtual Product Development (SVPD): Experience Based Product Development System for Industry 4.0
PublicationThis chapter presents the concept of smart virtual product development (SVPD) system capable of supporting industrial product development. It enhances the decision making process during various activities involved in product development i.e. product design, manufacturing, and inspection planning. This is achieved by using the explicit knowledge of past formal decision events, which are captured, stored, and recalled in the form...
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To Survive in a CBRN Hostile Environment: Application of CAVE Automatic Virtual Environments in First Responder Training
PublicationThis paper is of a conceptual nature and focuses on the use of a specific virtual reality environment in civil-military training. We analyzed the didactic potential of so-called CAVE automatic virtual environments for First Responder training, a type of training that fills the gap between First Aid training and the training received by emergency medical technicians. Since real training involves live drills based on unexpected situations,...
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Adapting a General Tool to Monitoring Multi-Agent Systems Through Virtual Host Layer Extenstion
PublicationNagios is a free software for IT infrastructure monitoring. Out-of-the-box it is not suited for monitoring multi-agent systems, because agents may dynamically join and leave the system or change roles. But Nagios' flexible configuration makes extensions possible. This paper presents and verifies Nagios configuration and extensions for monitoring multi-agent systems.
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Smart Virtual Product Development (SVPD) System to Support Product Inspection Planning in Industry 4.0
PublicationThis paper presents the idea of supporting product inspection planning process during the early stages of product life cycle for the experts working on product development. Aim of this research is to assist a collaborative product development process by using Smart Virtual Product Development (SVPD) system, which is based on Set of Experience Knowledge Structure (SOEKS) and Decisional DNA (DDNA). The proposed system is developed...
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The evolution of education spaces - from plan as generator to regenerative architecture, virtual rooms and green campuses
PublicationThe study programmes are often considered the main formative factors in the process of educating future architects. Another highly influential component is the architectural characteristics of learning spaces, and consequently the impact of the physical built environment on the quality of education has been widely discussed. However, not often do we realise that the characteristics of education spaces correlate with the organisational...
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Impact of new, navigable canal through the Vistula spit on the hydrologic balance of the Vistula lagoon (Baltic Sea)
PublicationThe object of research - the Vistula Lagoon is one of the two lagoons on the Polish coast, which is of great importance not only from an economic point of view, but also an environmental one. The purpose of the paper is to provide calculations on the current water balance for the Vistula Lagoon, before and after construction of a canal through the Vistula Spit. This is important because the construction of a new connection between...
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
PublicationTheophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and ternary natural deep eutectics (NADES) prepared with choline chloride, polyols and water. There was a strong synergistic effect of organic solvents mixed with water, and among the experimentally...
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Identification of novel halogenated naturally occurring compounds in marine biota by high-resolution mass spectrometry and combined screening approaches
PublicationMarine animals, plants or bacteria are a source of bioactive naturally-occurring halogenated compounds (NHCs) such as bromophenols (BPs), bromoanisoles (BAs) and hydroxylated or methoxylated analogues of polybrominated diphenyl ethers (HO-PBDEs, MeO-PBDEs) and bromobiphenyls (HO-BBs, MeO-BBs). This study applied a comprehensive screening approach using liquid chromatography high-resolution mass spectrometry and combining target,...
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SUBSOIL CHARACTERISTICS OF THE VISTULA RIVER DIKES
PublicationThe results of CPTU tests are used to determine the strength parameters of a dike subsoil. Stress state and stress history of the subsoil under the flood embankment was evaluated with CPTU and DMT tests. Normally consolidated soil was found under the central part of the dike, while the subsoil near the dike toe is found to be overconsolidated. Due to consolidation the undrained shear strength of the subsoil under the central part...
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Hydraulic potential of the Lower Vistula (Poland)
PublicationThe Vistula is the largest river in Poland. Lower Vistula (part of the river discussed in this paper) is almost four hundred kilometers long river section extending from the tributary Narew to the outflow to the Baltic Sea. In the 17th century the Vistula was the most navigable river in Europe. After partitioning of Poland the Vistula lost its significance. Now the Lower Vistula should provide a navigation connection to the Europe...
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How to enhance perception of reassembled but incomplete works of ancient art? Eye-tracking study of virtual anastylosis.
Publicationn 1964 the Venice Charter described anastylosis as the only acceptable method of reassembly of architectural remains. Although the scientific community has agreed with the Charter’s decision, many questions pertaining to the technical and aesthetic aspects of anastylosis remain unanswered. Virtual anastylosis seems one of the most promising digital solutions to finding at least some answers, as it permits testing various solutions...
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Multi-objective Tabu-based Differential Evolution for Teleportation of Smart Virtual Machines in Private Computing Clouds
PublicationWe propose a multi-objective approach for using differential evolution algorithm with tabu search algorithm as an additional mutation for live migration (teleportation) of virtual machines. This issue is crucial in private computing clouds. Teleportation of virtual machines is supposed to be planned to determine Pareto-optimal solutions for several criteria such as workload of the bottleneck host, communication capacity of the...
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Investigation of optical properties of Infitec and Active Stereo stereoscopic techniques for CAVE-type virtual reality systems
PublicationIn recent years, many scientific and industrial centres in the world developed virtual reality systems or laboratories. At present, among the most advanced virtual reality systems are CAVE-type (Cave Automatic Virtual Environment) installations. Such systems usually consist of four, five, or six projection screens arranged in the form of a closed or hemi-closed space. The basic task of such systems is to ensure the effect of user...
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Experiment-aided virtual prototyping to minimize tool-workpiece vibration during boring of large-sized structures
PublicationThe paper presents the author's method of solving the problems of vi-bration suppression during boring of large-sized workpieces by means of an in-novative method of adjusting the rotational speed of the boring bar. It consists in selecting the spindle speed in accordance with the results of the cutting process simulation. The method includes identification of the model of the finite element method of the boring bar. The Root Mean...
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Measurements of Spectral Spatial Distribution of Scattering Materials for Rear Projection Screens used in Virtual Reality Systems
PublicationRapid development of computing and visualisation systems has resulted in an unprecedented capability to display, in real time, realistic computer-generated worlds. Advanced techniques, including three-dimensional (3D) projection, supplemented by multi-channel surround sound, create immersive environments whose applications range from entertainment to military to scientific. One of the most advanced virtual reality systems are CAVE-type...
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INCREASING POWER SUPPLY SAFETY IN THE ASPECT OF SUPPORTING THE RENEWABLE ENERGY SOURCES BY CONVENTIONAL AND VIRTUAL POWER STORES
PublicationThis paper presents characteristics and purposefulness of supporting the renewable energy sources (OZE) by means of energy stores. The main emphasis was placed on analysis of virtual energy stores available for implementation in Polish economy conditions. A role which management of Demand Side Response (DSR) may play in balancing Polish electric power system, is discussed. Implementation of such solutions together with conventional...
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Virtual engineering process (VEP): a knowledge representation approach for building bio-inspired distributed manufacturing DNA
PublicationThe objective of this research is to provide a user-friendly and effective way of representing engineering processes for distributed manufacturing systems so that they can develop, accumulate and share knowledge. The basic defini-tion and principle of the approach is introduced first and then the prototype version of the system is developed and demonstrated with case studies, which verify the feasibility of the proposed approach....
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Trust Dynamics Analysis of CTR Scheme Subversion under Virtual Anonymity and Trust-Unaware Partner Selection
PublicationWe propose a framework to study Markovian trust value dynamics in a centralized Computational Trust and Reputation (CTR) scheme under trust-unaware partner selection using a mean-value approximation. Analytically founded answers are sought to questions like: Can dishonest agents subvert the CTR scheme (i.e., acquire higher trust values than honest agents)? Is indirect reciprocity incentivized? Is there a qualitative impact of a...
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Understanding Sustainable Knowledge-Sharing in Agile Projects: Utilizing Follow-the-Sun Technique (FTS) in Virtual Teams
PublicationIn Agile IT projects, promoting effective knowledge sharing is essential not only for achieving success but also for supporting Sustainable Development Goals (SDGs). However, Companies using virtual teams may face challenges in coordinating work, particularly when teams are distributed across different time zones, ultimately hindering their ability to consistently share knowledge. This can lead to delays and inefficiencies, ultimately...
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Variational Method of Finding Streamlines in Ring Cascades for Creeping Flows
PublicationThis paper presents a new, analytical method of finding streamlinesfor creeping flows inside a ring cascade which is composed of an infinite number of infinitely thin blades. An analytical solution has been obtained through minimisation of a dissipation functional by means of variational calculus method. The necessary condition for optimum of a functional gives the Stokes equation if some additional assumptions are introduced....
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Auditory-visual attention stimulator
PublicationNew approach to lateralization irregularities formation was proposed. The emphasis is put on the relationship between visual and auditory attention stimulation. In this approach hearing is stimulated using time scale modified speech and sight is stimulated by rendering the text of the currently heard speech. Moreover, displayed text is modified using several techniques i.e. zooming, highlighting etc. In the experimental part of...
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Screening of potential inhibitors for COVID-19 main protease from phytoconstituents of Tectona grandis Linn: application of molecular modeling studies
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Comparison of Headspace Solid-phase Microextraction, Headspace Single-drop Microextraction and Hydrodistillation for Chemical Screening of Volatiles in Myrtus Communis L
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Substrate profiling of Finegoldia magna SufA protease, inhibitor screening and application to prevent human fibrinogen degradation and bacteria growth in vitro
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Small-scale passive emission chamber for screening studies on monoterpene emission flux from the surface of wood-based indoor elements
PublicationAnalysis of literature data published in the last fewyears leads to the conclusion that in the process of assessment of emission flux of organic compounds emitted from different types of equipment and finishing materials, new types of devices, among which small-scale passive emission chambers for the performance of in-situ research are designed and applied on a larger scale. These devices can be successfully used for the assessment...
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The use of HPLC-Q-TOF-MS for comprehensive screening of drugs and psychoactive substances in hair samples and several “legal highs” products
PublicationNon-targeted screening of drugs present in herbal products, known as “legal high” drugs and in hair as a biological matrix commonly used in toxicological investigations was accomplished with the use of high pressure liquid chromatography coupled with quadrupole time-of-flight mass spectrometry (HPLC-Q-TOF-MS). In total, 25 and 14 therapeutical drugs and psychoactive substances/metabolites were detected in investigated hair samples...
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Maximizing Bio-Hydrogen and Energy Yields Obtained in a Self-Fermented Anaerobic Bioreactor by Screening of Different Sewage Sludge Pretreatment Methods
PublicationEgypt faces significant challenges in managing its sewage sludge generated in large quantities from wastewater treatment plants. This study investigates the feasibility of utilizing sewage sludge as a renewable resource for hydrogen production through anaerobic digestion at the 100 L bioreactor level. Hydrogen is considered a promising alternative energy source due to its high energy content and environmental benefits. To optimize...
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Optimization of clamping stiffness during milling of high-dimensional structures with the use of techniques of experiment – aided virtual prototyping
PublicationThe subject of this paper is a method of searching for conditions of minimizing the vibration level of a tool-high dimensional flexible workpiece, at unchangeable technological parameters of the machining process. It depends on repeatable change of the values of the stiffness coefficients as soon as an optimal vibration state of the workpiece approaches. There are assessed the values of dominant ”peaks” in the frequency spectra...