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Wyniki wyszukiwania dla: COMPUTATIONAL METHODS
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5-Selenocyanato and 5-trifluoromethanesulfonyl derivatives of 2′-deoxyuridine: synthesis, radiation and computational chemistry as well as cytotoxicity
Publikacja5-Selenocyanato-2′-deoxyuridine (SeCNdU) and 5-trifluoromethanesulfonyl-2′-deoxyuridine (OTfdU) have been synthesized and their structures have been confirmed with NMR and MS methods. Both compounds undergo dissociative electron attachment (DEA) when irradiated with X-rays in an aqueous solution containing a hydroxyl radical scavenger. The DEA yield of SeCNdU significantly exceeds that of 5-bromo-2′-deoxyuridine (BrdU), remaining...
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Prioritising national healthcare service issues from free text feedback – A computational text analysis & predictive modelling approach
PublikacjaPatient experience surveys have become a key source of evidence for supporting decision-making and continuous quality improvement within healthcare services. To harness free-text feedback collected as part of these surveys for additional insights, text analytics methods are increasingly employed when the data collected is not amenable to traditional qualitative analysis due to volume. However, while text analytics techniques offer...
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Advances in computational electrodynamics.
PublikacjaArtykuł prezentuje wybrane metody, które są rozwijane w Politechnice Gdańskiej, i które mogą być wykorzystane do przyspieszenia komputerowego projektowania układów mikrofalowych i analizy numerycznej układów niskiej i dużej częstotliwości. Przeprowadzono przegląd metod tworzenia układów zastępczych i ich wykorzystanie do automatycznego projektowania filtrów pasmowo-przepustowych. Przedstawiono różne podejścia reprezentacji pola...
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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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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublikacjaAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Applying computational intelligence to acoustics.
PublikacjaW artykule przedstawiono przegląd wybranych zagadnień związanych z zastosowaniem metod inteligencji obliczeniowej w akustyce. Zaprezentowane metody obejmują m.in. sztuczne sieci neuronowe, zbiory przyblizone, logikę rozmytą, algorytmy genetyczne. Problematyka akustyczna dotyczy z kolei klasyfikacji dźwięków muzycznych, inteligentnego przetwarzania muzyki, inteligentnego sterowania trakturą organową oraz obiektywizacji metody oceny...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Generating actionable evidence from free-text feedback to improve maternity and acute hospital experiences: A computational text analytics & predictive modelling approach
PublikacjaBackground Patient experience surveys are a key source of evidence for supporting decision-making and quality improvement in healthcare services. These surveys contain two main types of questions: closed and open-ended, asking about patients’ care experiences. Apart from the knowledge obtained from analysing closed-ended questions, invaluable insights can be gleaned from free-text data. Advanced analytics techniques are increasingly...
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Computational intelligence-aided character animation
PublikacjaW pracy przedstawiono pokrótce metody animacji komputerowej, a także podano zasady oceny jakości wyniku animacji postaci. Dodatkowo dokonano przeglądu metod inteligentnych stosowanych w animacji komputerowej i w dziedzinach pokrewnych. W badaniach skupiono się na animacji ruchu w kontekście uzyskiwanej ekspresji. Podano reguły stosowane w animacji tradycyjnej oraz wyznaczono parametry opisujące fazy ruchu w odniesieniu do poszczególnych...
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Applications of computational intelligence techqniues to acoustics
PublikacjaCelem artykułu jest przegląd wybranych zastosowań metod inteligentnych w akustyce, a w szczególności w szeroko rozumianej inżynierii dźwięku. Przedstawione badania i eksperymenty były prowadzone w oparciu o sztuczne sieci neuronowe, metodę zbiorów przybliżonych, logiką rozmytą, grafy przepływowe Pawlaka oraz algorytmy genetyczne. Rozwiązywane problemy dotyczyły klasyfikacji dźwięków muzycznych, rozpoznawania fraz muzycznych, przetwarzania...
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Computational fluid dynamics - lustres and shadows.
PublikacjaThe paper is devoted to the different aspects of CFD. The advantages of this concept are evident and obvious; powerfuk and effective tools bring this technology closer to the quantifiable world. However, certain weaknesses in this structure are apparent. Sometimes, a simplistic tendency towards simplifications and facilitations may degenerate and lead to negative behaviours and signs. These have not been serious up to date, but...
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On Computational Aspects of Greedy Partitioning of Graphs
PublikacjaIn this paper we consider a problem of graph P-coloring consisting in partitioning the vertex set of a graph such that each of the resulting sets induces a graph in a given additive, hereditary class of graphs P. We focus on partitions generated by the greedy algorithm. In particular, we show that given a graph G and an integer k deciding if the greedy algorithm outputs a P-coloring with a least k colors is NP-complete for an infinite...
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Computational aspects of greedy partitioning of graphs
PublikacjaIn this paper we consider a variant of graph partitioning consisting in partitioning the vertex set of a graph into the minimum number of sets such that each of them induces a graph in hereditary class of graphs P (the problem is also known as P-coloring). We focus on the computational complexity of several problems related to greedy partitioning. In particular, we show that given a graph G and an integer k deciding if the greedy...
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Computational modelling of the modification of epoxy resins
PublikacjaSymulacja komputerowa właściwości fizycznych sieci żywic epoksydowych (DGEBA/DDM) modyfikowanych związkami akrylowymi przy użyciu programu Cheops® MillionZillion Software.
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Computational studies of a hypocycloidal electron monochromator
PublikacjaPrzeprowadzono badania hipocykolidalnego monochromatora elektronów, wykorzystując komputerowy program optyki elektronowej CPO-3D. Obliczono i przeprowadzono analizę torów elektronów w wiązce o zadanym rozmyciu kątowym przechodzącej przez monochromator. Ustalono, że rozdzielczość energetyczna monochromatora jest wyższa niż odpowiadającego mu monochromatora trochoidalnego.
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Object oriented grid computing for computational electromagnetics
PublikacjaArtykuł opisuje bibliotekę WiCommGrid napisaną w języku java, która realizuje ideę wymiany informacji pomiędzy węzłami środowiska rozproszonego z zastosowaniem programowania zorientowanego obiektowo. Biblioteka ta przystosowana jest do współdziałania z wieloma systemami operacyjnymi oraz z rożnym środowiskiem sprzętowym. Zbudowaną aplikację zastosowano do zrównoleglonych obliczeń rozkładu pola elektromagnetycznego w oparciu o algorytm...
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Computational Techniques Application in Environmental Exposure Assessment
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Artificial Intelligence and Computational Issues in Engineering Applications
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Computational techniques for efficient conformational sampling of proteins
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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Considerations of Computational Efficiency in Volunteer and Cluster Computing
PublikacjaIn the paper we focus on analysis of performance and power consumption statistics for two modern environments used for computing – volunteer and cluster based systems. The former integrate computational power donated by volunteers from their own locations, often towards social oriented or targeted initiatives, be it of medical, mathematical or space nature. The latter is meant for high performance computing and is typically installed...
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Computational collective intelligence for enterprise information systems
PublikacjaCollective intelligence is most often understood as a kind of intelligence which arises on the basis of a group (collective) of autonomous unites (people, systems) which is taskoriented. There are two important aspects of an intelligent collective: The cooperation aspect and the competition aspect (Levy 1997). The first of them means the possibility for integrating the decisions made by the collective members for creating the decision of...
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Review of Selected Methods for Prediction of Added Resistance in Following Waves
PublikacjaThe added resistance in waves is a mean value of non-linear, second order reaction of a ship to incoming waves. In the beginning of the 20th century, the experimental methods for investigation of ship hydrodynamics at model scale were developed. They allowed the evaluation of added resistance by measurements in irregular waves (directly) or by measurements in regular waves (in-direct method). The main goal was to find more precise...
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CONCRETE MIX DESIGN USING ABRAMS AND BOLOMEY METHODS
PublikacjaOne way to reduce the consumption of cement is to optimize its use. Many known methods of concrete design, based on the Abrams law and the Bolomey method. Therefore, the authors chose those methods for analysis. The concrete composition with the assumed strength class, calculated by any method differs significantly. This applies especially to the cement content, as its content in the composition of concrete varies from 20 to 50%....
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A study on signal processing methods applied to hearing aids
PublikacjaThis paper presents a short survey on current technology available in hearing aids with a focus on digital signal processing techniques used. First, factors influencing the hearing aid effectiveness are introduced. Then, examples of the present DSP methods and strategies are provided. Also, a description of current limitations of hearing aids and future trends of development are shown. Finally, the notion of computational auditory...
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Computational modelling of historic masonry railroad arch bridges
PublikacjaThe problems encountered during the analyzes of structural response of historic masonry railroad arch bridges are described in this paper. The attention is mainly focused on the stiffness of the masonry arches, their strengths and appropriate estimation of railroad load intensity. Issues related to computational modelling of two, existing, almost 130 years old masonry arch railroad bridges are presented in this context. The main...
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Computational method for determining the static stiffness of the saw blade
PublikacjaW artykule opisano sposób modelowania i obliczeń odkształceń i naprężeń pił tarczowych o złożonej geometrii korpusu z wykorzystaniem komputerowych programów wspomagających projektowania.
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Stirling engines - the state of technology development and computational models
PublikacjaStirling engines represent a technologically important solution in combined heat and power systems. Their use enables the achievement of over 90 percent efficiency in the management of the primary energy source with a very high durability of the device, mainly due to the lack of contact of the working gas with external factors and a very small number of mechanical components. The use of a Stirling engine may be equally important...
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Identification of ship’s hull mathematical model with numerical methods
PublikacjaThe modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely...
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Communication Model Order Reduction in Hybrid Methods Involving Generalized Impedance Matrix
PublikacjaA novel strategy for the efficient analysis of frequency-domain scattering electromagnetic problems in open and closed domains is presented. A fully automatic model-order reduction technique, called the enhanced reduced-basis method, is applied to increase the efficiency of the hybrid approach, which combines the finite-element and mode-matching methods. Numerical tests show that the proposed algorithm yields reliable and highly...
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State of the art and prospects of methods for determination of lipophilicity of chemical compounds
PublikacjaLipophilicity of the compounds is useful to (i) explain their distribution in biological systems, which is different in plant and in animal organisms, (ii) predict the possible pathways of pollutant transport in the environment, and (iii) support drug discovery process and select optimal composition in terms of bioactivity and bioavailability. The lipophilic properties can be determined by two main approaches, experimental, which...
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Computational modelling of concrete behaviour under static and dynamic conditions
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Essentials and merits of the method of analytical regularization in computational optics and photonics
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Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
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A computational view on nanomaterial intrinsic and extrinsic features for nanosafety and sustainability
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Numerical Analysis of Flow in Building Arrangement: Computational Domain Discretization
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Maxillary sinus aeration analysis using computational fluid dynamics
PublikacjaThe maxillary sinus aeration using the computational fluid dynamics (CFD) method based on individual adult patients’ computed tomography (CT) scans were analyzed. The analysis was based on CT images of 4 patients: one with normal nose anatomy and three with nasal septal deviation (NSD) and concha bullosa (CB). The CFD simulation was performed using the Reynolds-Average Simulation approach and turbulence closure based on linear...
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A COMPUTATIONAL ALGORITHM FOR THE NUMERICAL SOLUTION OF NONLINEAR FRACTIONAL INTEGRAL EQUATIONS
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Computational Techniques in Numerical Simulations of Arc and Laser Welding Processes
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AI-Based Computational Model in Sustainable Transformation of Energy Markets
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Analysis of muscles behaviour : The computational model of muscle. -Part I
PublikacjaW artykule zaproponowano model obliczeniowy mięśnia szkieletowego, który potraktowano jako strukturę o złożonych i zróżnicowanych właściwościach mechanicznych. Szczegółowo opisano metodę identyfikacji tych właściwości. Ponadto określono sposób przeprowadzenia weryfikacji ilościowej i jakościowej zaproponowanego modelu. Za pomocą takiego obliczeniowego modelu mięśnia można łatwo określać siły w mięśniach, które należą do zespołu...
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Computational algorithm for the analysis of mechatronic systems with distributed parameter elements
PublikacjaThe paper presents a systematic computational package for analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The algorithm is based on the transfer function method (DTFM). With this algorithm, a bond graph technique for the modelling is developed to simplify computations. Analysis of different systems requires only changing the inputs data in the form of the bond graph diagram
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A literature review on computational models for laminated composite and sandwich panels
PublikacjaW artykule przedstawiono przegląd modeli obliczeniowych stosowanych w analizie laminowanych powłok kompozytowych i sandwiczowych. W przeglądzie uwzględniono ponad 200 pozycji literatury traktujących o modelach teoretycznych dla płyt i powłok wielo-warstowych oraz/lub o implementacjach numerycznych różnych modeli obliczeniowych. Jako podstawową konkluzję z dokonanego przeglądu, należy uznać, że nie istnieje jeden uniwersalny model...
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Computational Approaches to Modeling Artificial Emotion – An Overview of the Proposed Solutions
PublikacjaCybernetic approach to modeling artificial emotion through the use of different theories of psychology is considered in this paper, presenting a review of twelve proposed solutions: ActAffAct, FLAME, EMA, ParleE, FearNot!, FAtiMA, WASABI, Cathexis, KARO, MAMID, FCM, and xEmotion. The main motivation for this study is founded on the hypothesis that emotions can play a definite utility role of scheduling variables in the construction...
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An IoT-Based Computational Framework for Healthcare Monitoring in Mobile Environments
PublikacjaThe new Internet of Things paradigm allows for small devices with sensing, processing and communication capabilities to be designed, which enable the development of sensors, embedded devices and other ‘things’ ready to understand the environment. In this paper, a distributed framework based on the internet of things paradigm is proposed for monitoring human biomedical signals in activities involving physical exertion. The main...
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Reduction of Computational Complexity in Simulations of the Flow Process in Transmission Pipelines
PublikacjaThe paper addresses the problem of computational efficiency of the pipe-flow model used in leak detection and identification systems. Analysis of the model brings attention to its specific structure, where all matrices are sparse. With certain rearrangements, the model can be reduced to a set of equations with tridiagonal matrices. Such equations can be solved using the Thomas algorithm. This method provides almost the same values...
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Computational studies of friction forces for hard tissue cultivation in bioreactor.
PublikacjaPonieważ wymiana naturalego stawu na endoprotezę może być dokonywana 2-3 razy w życiu, problem leczenia przez transplantację tkanek chrzęstnych nabiera dużego znaczenia. Przeszczepów tkanki można dokonywać z sukcesem wiele razy. W bioreaktorach, środowisko hydrodynamiczne kształtuje hodowlę tkanek in vitro w obecności sił tarcia, poprzez bezpośrednie działanie na morfologię komórek a także poprzez pośrednie działanie na tkankę...
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Computational modelling of concrete behavior under static and dynamic conditions
PublikacjaW artykule zaproponowano wyniki obliczeń MES dla betonu podczas dynamicznego obciążenia. Przyjęto model sprężysto-plastyczno-lepki z nielokalnym osłabieniem. Obliczenia MES dla elementów betonowych pod obciążeniem dynamicznym o różnej prędkości obciążenia porównano bezpośrednio z doświadczeniami.
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Residue-Pole Methods for Variability Analysis of S-parameters of Microwave Devices with 3D FEM and Mesh Deformation
PublikacjaThis paper presents a new approach for variability analysis of microwave devices with a high dimension of uncertain parameters. The proposed technique is based on modeling an approximation of system by its poles and residues using several modeling methods, including ordinary kriging, Adaptive Polynomial Chaos (APCE), and Support Vector Machine Regression (SVM). The computational cost is compared with the traditional Monte-Carlo...
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Using a computational model to compare objective negotiations in real and virtual environments
PublikacjaZaprezentowano obliczeniowy model negocjacji uwzględniający warunki początkowe, przebieg negocjacji i wyniki negocjacji. Przedstawiono komputerowy system wspomagający rejestrację przebiegu negocjacji i ich wyników oraz analizę negocjacji zgodną z proponowanym modelem.