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Search results for: NURSES
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Modeling the Structure, Dynamics, and Transformations of Proteins with the UNRES Force Field
PublicationThe physics-based united-residue (UNRES) model of proteins ( www.unres.pl ) has been designed to carry out large-scale simulations of protein folding. The force field has been derived and parameterized based on the principles of statistical-mechanics, which makes it independent of structural databases and applicable to treat nonstandard situations such as, proteins that contain D-amino-acid residues. Powered by Langevin dynamics...
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“Space & Satellite Technologies" intercollegiate master-degree courses of study in Tri-City (Poland)
PublicationSince summer semester of the academic year 2016/2017, two faculties of Gdansk University of Technology GUT (Faculty of Mechanical Engineering and Faculty of Electronics, Telecommunications and Informatics) together with the Gdynia Maritime University (Faculty of Electronics) and the Polish Naval Academy in Gdynia (Faculty of Command and Naval Operations) have opened intercollegiate master -...
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Dietary Inclusion of Dried Chicory Root Affects Cecal Mucosa Proteome of Nursery Pigs
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Wspomaganie zajęć dydaktycznych z matematyki na kierunkach technicznych kursem e-Learningowym"
PublicationW artykule przedstawiono doświadczenia w zakresie wspomagania przedmiotu matematyka na pierwszym roku studiów inżynierskich kursem e-learningowym. Wykonano analizę wyników testów przeprowadzonych podczas e-zajęć. Przedstawiono również wyniki ankiet ewaluacyjnych obrazujących stosunek studentów do wprowadzania kształcenia matematyki z wykorzystaniem blended learning.
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Possible schemes of photoassociation processes in the KLi molecule with newly calculated potential energy curves
PublicationWe present four promising schemes for photoassociative formation of KLi molecule in its ground electronic state. Analysis is based on newly calculated adiabatic potentials supported by transition dipole moments and Franck-Condon factors.
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Monitoring the curing process of epoxy adhesive using ultrasound and Lamb wave dispersion curves
PublicationMonitoring the stiffness of adhesives is a crucial issue when considering the durability andstrength of adhesive joints. While there are many studies conducted on specimens madeonly from adhesive, the problem of curing of an adhesive film in real joints is moderatelyconsidered. This paper presents the monitoring of stiffening of epoxy adhesive using ultra-sound. Ultrasonic pulse velocity method was firstly applied for monitoring...
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Monitoring of Caged Bluefin Tuna Reactions to Ship and Offshore Wind Farm Operational Noises
PublicationUnderwater noise has been identified as a relevant pollution affecting marine ecosystems in different ways. Despite the numerous studies performed over the last few decades regarding the adverse effect of underwater noise on marine life, a lack of knowledge and methodological procedures still exists, and results are often tentative or qualitative. A monitoring methodology for the behavioral response of bluefin tuna (Thunnus thynnus)...
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Born–Oppenheimer potential energy curves of NaK from the optimised atomic basis sets
PublicationThe article presents adiabatic potential energy curves of the ground and excited electronic states for the diatomic NaK molecule. The calculations were made using the ab initio computational methods to include electron correlation. The studied molecule was calculated as the effective two-electron problem, in which only the valence electrons of the molecule are explicitly taken into account. The remaining electrons with atomic nuclei...
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Effects of Deck-Abutment Pounding on the Seismic Fragility Curves of Box-Girder Highway Bridges
PublicationEarthquake-induced pounding in bridges is a complex contact phenomenon in which the dynamic responses of structures, including collisions between deck and abutments, are strongly related to structural properties and earthquake excitation. The goal of this study is to develop and compare the seismic fragility curves of overall system and individual components of regular and irregular box-girder highway bridges in two cases: with...
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Simulation of Protein Structure and Dynamics with the Coarse-Grained UNRES Force Field
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Development of the Construction of City Buses in Terms of Reducing the Curb Weight of the Vehicle
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Quality evaluation of agricultural distillates using different types of electronic noses
PublicationThe paper presents the results of investigation on quality evaluation of agricultural distillates using a prototype of electronic nose instrument and a commercial electronic nose of Fast/Flash GC type – HERACLES II. The prototype was equipped with TGS type semiconductor sensors. HERACLES II included two chromatographic columns with different polarity of stationary phase and two FID detectors. In case of the prototype volatile fraction...
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Połączenie G3 dwóch kierunków prostych z użyciem krzywej NURBS
PublicationW artykule przedstawiono nową metodę projektowania układu geometrycznego toru kolejowego opartą na zastosowaniu krzywych NURBS (Non-Uniform Rational B-Spline) do opisu krzywizny. Punkty kontrolne krzywej NURBS wyznaczane są w procesie optymalizacji za pomocą algorytmu genetycznego. Jako kryterium optymalizacji przyjęto minimalizację oddziaływań dynamicznych występujących w układzie tor-pojazd przy spełnieniu warunków geometrycznych...
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Supporting First Year Students Through Blended-Learning - Planning Effective Courses and Learner Support
PublicationHigher education has been actively encouraged to find more effective and flaxible delivery models to provide all students with access to good quality learning experiences. This paper describes students opinion about using e-learning techniques and their participation in courses provided in different ways as additional help and expectations of first year students.
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Changes in Hydrographic Conditions Associated with 2005–2007 Storm Surges in the Odra Mouth — a Numerical Study
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The Impact of Strong Electromagnetic Pulses on the Operation Process of Electronic Equipment and Systems Used in Intelligent Buildings
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<title>Search for optical flashes accompanying gamma ray bursts Pi of the Sky collaboration</title>
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Computer aided registration of current pulses in polyethylene insulation during the first stage of electrical treeing.
PublicationW referacie przedstawiono aplikację w programie Labview do automatycznej rejestracji impulsów prądowych zjawisku drzewienia elektrycznego w izolacji polietylenowej.
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SELF-ENUCLEATION OF BOTH EYES IN SCHIZOPHRENIA & INTELLECTUAL DISABILITY: A CURSE OR A BLESSING?
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SELF-ENUCLEATION OF BOTH EYES IN SCHIZOPHRENIA & INTELLECTUAL DISABILITY: A CURSE OR A BLESSING?
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Prediction of Protein Structure by Template-Based Modeling Combined with the UNRES Force Field
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Investigation of Protein Folding by Coarse-Grained Molecular Dynamics with the UNRES Force Field
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Lessons from application of the UNRES force field to predictions of structures of CASP10 targets
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Performance of protein-structure predictions with the physics-based UNRES force field in CASP11
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Extension of the UNRES Coarse-Grained Force Field to Membrane Proteins in the Lipid Bilayer
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Terminal charging scheduling of battery electric buses based on vehicle routing problem
PublicationElectric buses are considered to be a viable solution for reducing emission in dense urban areas. However, the greater charging time is a huge challenge for operators. In this paper, charging scheduling method was elaborated based on vehicle routing problem using mixed-integer linear programming model. The main novelty of the paper is the combination of modelling aspect, namely flexible turn sequence and heterogeneous shared charging...
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Deep Eutectic Solvents and Their Uses for Air Purification
PublicationChemical compounds released into the air by the activities of industrial plants and emitted from many other sources, including in households (paints, waxes, cosmetics, disinfectants, plastic (PVC) flooring), may affect the environment and human health. Thus, air purification is an important issue in the context of caring for the condition of the environment. Deep eutectic solvents (DESs) as liquids with environmentally friendly...
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Expedite EM-driven generation of Pareto-optimal trade-off curves for variable-turn on-chip inductors
PublicationThis work presents a novel approach to computationally efficient Pareto front identification for variable-turn on-chip inductors. The final outcome is a set of solutions that correspond to the best trade-offs between conflicting design objectives. Here, we consider minimising inductor area and, simultaneously, maximising its quality factor, while maintaining a specified inductance value at a given operating frequency. As opposed...
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Automated Parameter Determination for Horizontal Curves for the Purposes of Road Safety Models with the Use of the Global Positioning System
PublicationThis paper presents the results of research conducted to develop an automated system capable of determining parameters for horizontal curves. The system presented in this article could calculate the actual course of a road by means of a two-stage positioning of recorded points along the road. In the first stage, measurements were taken with a Real-Time Network (RTN) receiver installed in a research vehicle. In the second stage,...
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Comparative Analysis of Developed Rainfall Intensity–Duration–Frequency Curves for Erbil with Other Iraqi Urban Areas
PublicationRainfall Intensity–Duration–Frequency (IDF) relationships are widely used in water infrastructure design and construction. IDF curves represent the relationship between rainfall intensity, duration, and frequency, and are obtained by analyzing observed data. These relationships are critical for the safe design of flood protection structures, storm sewers, culverts, bridges, etc. In this study, the IDF curves and empirical IDF formulas...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublicationWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Dynamic Formation and Breaking of Disulfide Bonds in Molecular Dynamics Simulations with the UNRES Force Field
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Replica Exchange and Multicanonical Algorithms with the Coarse-Grained United-Residue (UNRES) Force Field
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Kinetics of molecular decomposition under irradiation of gold nanoparticles with nanosecond laser pulses—A 5-Bromouracil case study
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Three-Dimensional Gastrointestinal Organoid Culture in Combination with Nerves or Fibroblasts: A Method to Characterize the Gastrointestinal Stem Cell Niche
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The thermoluminescence characteristics and the glow curves of Thulium doped silica fiber exposed to 10MV photon and 21MeV electron radiation
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Discrimination of Selected Cold-Pressed and Refined Oils by Untargeted Profiling of Phase Transition Curves of Differential Scanning Calorimetry
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Inhomogeneity of low-noise wearing courses evaluated by tire/road noise measurements using the close-proximity method
PublicationPerforming numerous analyses of tire/road noise measurements on low-noise pavements during the last several years, the authors observed significant inhomogeneity of the wearing course in numerous cases, while similar problems were almost non-existent when dense pavements were measured. Three main causes of low-noise pavement inhomogeneity can be defined. The first one is imperfections in the technology used for asphalt mix production...
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Kinetics of molecular decomposition under irradiation of gold nanoparticles with nanosecond laser pulses—A 5-Bromouracil case study
PublicationABSTRACT Laser illuminated gold nanoparticles (AuNPs) efficiently absorb light and heat up the surrounding medium, leading to versatile applications ranging from plasmonic catalysis to cancer photothermal therapy. Therefore, an in-depth understanding of the thermal, optical, and electron induced reaction pathways is required. Here, the electrophilic DNA nucleobase analog 5-Bromouracil (BrU) has been used as a model compound to...
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Water retention curves of sandy soils obtained from direct measurements, particle size distribution, and infiltration experiments
PublicationAccurate information about soil water retention curves (SWRCs) of sands is essential for evaluating groundwater recharge and vulnerability to contamination in many shallow sandy aquifers which are widespread on post glacial areas in Northern Europe and North America. Pedotransfer functions (PTFs) allow to estimate SWRC from basic physical characteristics of soils, such as textural composition. However, in the case of clean sands...
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Determining the optimal course alteration maneouvre in a multi-target encounter situation for a given ship domain model
PublicationW artykulee przedstawiono nową deterministyczną metodę wyznaczania niezbędnego manewru kursem dla sytuacji spotkania z wieloma obiektami obcymi i dla dowolnej zadanej domeny. Jej prostota i niska złożoność obliczeniowa czynią ją dobrą alternatywą dla obecnie stosowanych metod. Główny algorytm został przedstawiony wprost, tak aby mógł być bezpośrednio zastosowany w pokładowych systemach antykolizyjnych lub w systemach VTS.
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Prediction of the structures of proteins with the UNRES force field, including dynamic formation and breaking of disulfide bonds
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field
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Dynamic Charging of Electric Buses as a Way to Reduce Investment Risks of Urban Transport System Electrification
PublicationNight charging and fast charging are currently the two most common systems for charging electric buses. Despite the fact that numerous trial installations were started, neither of these two systems has obtained unqualified approval of the users. The alternative is to charge vehicles in motion - dynamic charging which combines the advantages of trolleybus transport and of electric buses. One of the advantages is the reduction of...
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Numerical Analysis of TB32 Crash Tests for 4-cable Guardrail Barrier System Installed on the Horizontal Convex Curves of Road
PublicationHorizontal curves are one of the elements of road infrastructure where statistically a relatively high number of accidents have been reported. In the last ten years in Poland approx. 10% of all road accidents happened on horizontal curves of roads and was responsible for approx. 14% of all fatalities on Polish roads. Thus, this issue is important and requires extensive research and proper road safety treatments. One possible measure...
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Thermoluminescence glow curves and deconvoluted glow peaks of Ge doped flat fibers at ultra-high doses of electron radiation
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Temporal fine structure of all-normal dispersion fiber supercontinuum pulses caused by non-ideal pump pulse shapes
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