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Synthesis, spectroscopy and computational studies of some novelphosphorylated derivatives of quinoline-5,8-diones
PublikacjaThe neutral phosphorus nucleophiles such as R2P(=Y)M allowed the radical addition to 2-methyl-5,8-dioxo-5,8-dihydroquinoline-7-amine and N-(2-methyl-5,8-dioxo-5,8-dihydroquinolin-7-yl)acetamide giving exclusively O-phosphorylated products. All products were quantitatively prepared and characterized by microanalysis, and multinuclear NMR spectroscopy. Seven of them, have been characterized by single crystal X-ray diffraction method....
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Consensus models: Computational complexity aspects in modern approaches to the list coloring problem
PublikacjaArtykuł poświęcony jest nowym modelom konsensusowego kolorowania grafów. Artykuł zawiera omówienie trzech takich modeli, analizę ich złożoności obliczeniowej oraz wielomianowy algorytm dla częściowych k-drzew, dla tzw. modelu addytywnego.
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Synthesis, spectroscopy and computational studies of some biologically important hydroxyhaloquinolines and their novel derivatives
PublikacjaA series crystalline compounds of methyl and phosphinyl derivatives of 2-methylquinolin-8-ol (1a) and related 5,7-dichloro-2-methylquinolin-8-ol (1b) were quantitatively prepared and characterized by microanalysis, IR, UV-vis and multinuclear NMR spectroscopy. Five of them have been characterized by single crystal X-ray diffraction method. The known compounds, 8-methoxy-2-methylquinoline (2a) and 8-methoxyquinoline (2d), were synthesised...
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Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
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Fentanyl Family at the Mu-Opioid Receptor: Uniform Assessment of Binding and Computational Analysis
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Gradient theories of ductile and brittle damage: a thermodynamical consistent framework and computational issues
PublikacjaPrzedstawiono termodynamicznie zgodny opis gradientowych teorii plastycznego i kruchego zniszczenia. Przyjęto, że propagujące mikro-zniszczenia posiadają bezwładność i ich ruch jest wywołany przez mikro-siły, które spełniają ich własne dynamiczne równania równowagi. Poza równaniami równowagi makro- i mikro-sił sformułowano pierwsze i drugie prawo termodynamiki na poziomie mikro i mezo. Zakładając ogólną formę równań konstytutywnych...
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A proposition of the computational model for the dynamic analysis of stress and strain distribution in the hip joint
PublikacjaCelem pracy jest sformułowanie zadania modelowania dynamiki odkształceń i rozkładu naprężeń stawu biodrowego, a w szczególności kości udowej, pod wpływem sił mięśniowych oraz zadanych sił zewnętrznych. Rozwiązanie tego zadania pozwoli wyjaśnić niektóre zjawiska np. jakie ruchy kości udowej oraz jakie materiały użyte do jej alloplastyki są przyczyną urazów i poważnych uszkodzeń. Omówiono problemy związane z zastosowaniem metody...
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Scheduling of identical jobs with bipartite incompatibility graphs on uniform machines. Computational experiments
PublikacjaWe consider the problem of scheduling unit-length jobs on three or four uniform parallel machines to minimize the schedule length or total completion time. We assume that the jobs are subject to some types of mutual exclusion constraints, modeled by a bipartite graph of a bounded degree. The edges of the graph correspond to the pairs of jobs that cannot be processed on the same machine. Although the problem is generally NP-hard,...
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Experimental and Computational Fluid Dynamics Studies on Straight and U-Bend Double Tube Heat Exchangers with Active and Passive Enhancement Methods
PublikacjaIn this work, the authors wanted to demonstrate the possibility to increase the heat transfer efficiency by using simple wire coil inserts to create turbulent flow in the boundary layer as well as air blowing into the annulus of the pipe. Experimental investigations were carried out for four heat exchanger constructions, i.e., plain double tube, turbulized double tube, plain U-bend double tube, U-tube with turbulator, plain double...
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3D knee model G with reduced thickness of articular cartilage - input text file for computation
Dane BadawczeThe finite element method was used to simulate the stance phase of the gait cycle. An intact knee model was prepared based on magnetic resonance scans of the left knee joint of a healthy volunteer. In the model G articular cartilage thickness was reduced in specific areas to simulate degenerative changes in the medial knee osteoarthritis. The file was...
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A methodology for ultimate strength assessment of ship hull girder accounting for enhanced corrosion degradation modelling
PublikacjaThe presented work shows a methodology for the ultimate strength assessment of a ship hull, considering enhanced corrosion modelling. The approach is based on the classical Smith method. However, the recent findings regarding the impact of corrosion degradation on ultimate strength are incorporated. To this end, the stress–strain relationships for particular elements composing ship hull cross-section are modified using a specially...
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Three-dimensional modeling and automatic analysis of the human nasal cavity and paranasal sinuses using the computational fluid dynamics method
PublikacjaPurpose The goal of this study was to develop a complete workflow allowing for conducting computational fluid dynam- ics (CFD) simulation of airflow through the upper airways based on computed tomography (CT) and cone-beam computed tomography (CBCT) studies of individual adult patients. Methods This study is based on CT images of 16 patients. Image processing and model generation of the human nasal cavity and paranasal sinuses...
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FEM modelling of stress and strain distribution in weld joints of steel sandwich panels
PublikacjaThe development of laser welding technology has enabled the mass production of thin-walled structures, including steel sandwich panels. The technology of joining plating panels with stiffeners by welding allows us to create joints with a specific geometry and material properties. In comparison with other types of joints, laser welds are characterized by their specific behaviour under cyclic load and, as a consequence, a different...
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Neural modelling of dynamic systems with time delays based on an adjusted NEAT algorithm
PublikacjaA problem related to the development of an algorithm designed to find an architecture of artificial neural network used for black-box modelling of dynamic systems with time delays has been addressed in this paper. The proposed algorithm is based on a well-known NeuroEvolution of Augmenting Topologies (NEAT) algorithm. The NEAT algorithm has been adjusted by allowing additional connections within an artificial neural network and...
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Modelling of Different Aeration Modes Influencing Processes in SBR Bioreactor
PublikacjaCurrently, computer modelling together with the simulation tools tailored for that purpose constitute a very important element in planning technological changes within wastewater treatment plant. From the point of view of the WWTP operator every modification should be introduced in order to improve the quality of treated sewage with the lowest financial outlays. These requirements can be met by using computer programmes to effectuate...
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Computational Analysis of Transformational Organisational Change with Focus on Organisational Culture and Organisational Learning: An Adaptive Dynamical Systems Modeling Approach
PublikacjaTransformative Organisational Change becomes more and more significant both practically and academically, especially in the context of organisational culture and learning. However computational modeling and formalization of organisational change and learning processes are still largely unexplored. This chapter aims to provide an adaptive network model of transformative organisational change and translate a selection of organisational...
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Smart experience engineering to support collaborative design problems based on constraints modelling
PublikacjaEngineering design is a knowledge intensive process. Experts' experiences from different product life-cycle stages play a key role in problem solving during design decision making by linking up knowledge to find better solutions for a specific design problem. Different approaches have been used to support Collaborative and Concurrent Product Design, such as Constraint Satisfaction Problem (CSP) modelling. Additionally, due to the...
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Industry 4.0 Implementation Challenges in Manufacturing Industries: an Interpretive Structural Modelling Approach
PublikacjaFor the last few years, the fourth industrial revolution, known as Industry 4.0, has been a hot topic among academics. Industry 4.0 literature involves researches presenting studies related to its different aspects including challenges, opportunities, implementation and adoption. However, a detailed study of challenges and barriers towards the Industry 4.0 implementation in manufacturing industries is missing. Hence, this paper...
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Deterministic versus stochastic modelling of unsaturated flow in a sandy field soil based on dual tracer breakthrough data
PublikacjaThe 216 km2 Neuenhagen Millcreeck catchment can be characterized as a drought sensitive landscape in NE Germany. It is therefore a fundamental human interest to understand how water that fell as precipitation moves through the unsaturated soils and recharges groundwater. Additionally, a better knowledge of nutrient transport from soil to groundwater is important also, especially in landscapes with light sandy soils. For a better...
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Interactive Prototypes in Teaching User-Centred Design and Business Process Modelling
PublikacjaThis publication describes experiences gathered during the use of interactive prototyping in two areas: design of user interfaces for a touch screen information kiosk and interactive prototyping of business processes. Prototyping is promoted here as a technique useful for both visualizing design concepts and for stimulating communication within relevant teams. Developing interactive prototypes of use interfaces is discussed here...
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DISCRETE & COMPUTATIONAL GEOMETRY
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COMPUTATIONAL & APPLIED MATHEMATICS
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Journal of Computational Electronics
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Computational Intelligence and Neuroscience
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Journal of Computational Finance
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Journal of Computational Geometry
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Computational Particle Mechanics
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REVIEWS IN COMPUTATIONAL CHEMISTRY
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BIOINFO Computational Mathematics
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Computational Condensed Matter
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Advances in Computational Design
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Computational Management Science
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Advances in Computational Research
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Computational Thermal Sciences
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BIOINFO Computational Optimization
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Journal of Computational Linguistics
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Frontiers in Computational Neuroscience
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npj Computational Materials
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Computational Visual Media
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Computational Social Networks
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Applied and Computational Mechanics
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Journal of Computational Dynamics
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Computational Mathematics and Modeling
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Computational Brain and Behavior
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Computational and Mathematical Methods
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Computational and Mathematical Biophysics
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JOURNAL OF COMPUTATIONAL NEUROSCIENCE
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Mathematical and Computational Applications
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Computational Continuum Mechanics
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JOURNAL OF COMPUTATIONAL MATHEMATICS
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