Filters
total: 13896
filtered: 10319
-
Catalog
- Publications 10319 available results
- Journals 426 available results
- Conferences 19 available results
- People 268 available results
- Projects 9 available results
- Laboratories 1 available results
- e-Learning Courses 158 available results
- Events 9 available results
- Open Research Data 2687 available results
Chosen catalog filters
displaying 1000 best results Help
Search results for: PROTEIN STRUCTURE PREDICTION, MULTISCALE MODELING, UNRES FORCE FIELD, FREE AND BIOINFORMATICS-ASSISTED MODELING, REPLICA-EXCHANGE MOLECULAR DYNAMICS
-
Role of Glycosaminoglycans in Procathepsin B Maturation: Molecular Mechanism Elucidated by a Computational Study
Publication -
Ultrasound assisted rapid synthesis of mefenamic acid based indole derivatives under ligand free Cu-catalysis: Their pharmacological evaluation
Publication -
Dynamic F-free Coloring of Graphs
PublicationA problem of graph F-free coloring consists in partitioning the vertex set of a graph such that none of the resulting sets induces a graph containing a fixed graph F as an induced subgraph. In this paper we consider dynamic F-free coloring in which, similarly as in online coloring, the graph to be colored is not known in advance; it is gradually revealed to the coloring algorithm that has to color each vertex upon request as well...
-
Ship Resistance Prediction with Artificial Neural Networks
PublicationThe paper is dedicated to a new method of ship’s resistance prediction using Artificial Neural Network (ANN). In the initial stage selected ships parameters are prepared to be used as a training and validation sets. Next step is to verify several network structures and to determine parameters with the highest influence on the result resistance. Finally, other parameters expected to impact the resistance are proposed. The research utilizes...
-
The Dynamics of Trade Relations between Ukraine and Romania: Modelling and Forecasting
PublicationThe article examines the monthly dynamics of exports, imports and balance of trade between Ukraine and Romania in the period from 2005 to 2021. Time series from 2015 to 2021 were used for modelling and forecasting (since the date the European Union–Ukraine Association Agreement took effect). Adequate models of the dynamics series of the Box-Jenkins methodology were built: additive models with seasonal component ARIMA (Autoregressive...
-
A new index for statistical analyses and prediction of travelling ionospheric disturbances
PublicationTravelling Ionospheric Disturbances (TIDs) are signatures of atmospheric gravity waves (AGWs) observed in changes in the electron density. The analysis of TIDs is relevant for studying coupling processes in the thermosphere–ionosphere system. A new TID index is introduced, which is based on an easy extension of the commonly used approach for TID detection. This TID activity index, which can be applied for individual Global Navigation...
-
Arbutin: Isolation, X-ray structure and computional studies
PublicationArbutin, an active component originated from Serratula quinquefolia for skin-whitening use and treating skin related allergic inflammation, was characterized by microanalysis, FTIR, UV-Vis, multinuclear NMR spectroscopy, and single crystal X-ray diffraction method. The geometries of the studied compound were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. Electronic spectra were...
-
Kriging-assisted hybrid reliability design and optimization of offshore wind turbine support structure based on a portfolio allocation strategy
PublicationIn recent years, offshore wind power generation technology has developed rapidly around the world, making important contributions to the further development of renewable energy. When designing an Offshore Wind Turbine (OWT) system, the uncertainties in parameters and different types of constraints need to be considered to find the optimal design of these systems. Therefore, the Reliability-Based Design Optimization (RBDO) method...
-
The Role of Molecular Structure in Monte Carlo Simulations of the Secondary Electron Yield and Backscattering Coefficient from Methacrylic Acid
PublicationIn this paper, we show the influence of the chemical structure of four different conformers on the secondary electron emission and backscattering of an electron beam from a gel of methacrylic acid. The conformers have different permanent dipole moments, which determines the cross sections for elastic collisions with electrons. The cross sections are used in Monte Carlo simulations of an electron beam, which enters the gel of methacrylic...
-
NUMERICAL ESTIMATION OF HULL HYDRODYNAMIC DERIVATIVES IN SHIP MANOUVERING PREDICTION
PublicationOperating in crowded waterways pose a risk of accidents and disasters due to maneuvering limitations of the ship. In order to predict ship’s maneuvering characteristics at the design stage, model tests are often executed as the most accurate prediction tool. Two approaches can be distinguished here: free running model tests and numerical simulations based on planar motion model with the use of hydrodynamic derivatives obtained...
-
Motion Trajectory Prediction in Warehouse Management Systems: A Systematic Literature Review
PublicationBackground: In the context of Warehouse Management Systems, knowledge related to motion trajectory prediction methods utilizing machine learning techniques seems to be scattered and fragmented. Objective: This study seeks to fill this research gap by using a systematic literature review approach. Methods: Based on the data collected from Google Scholar, a systematic literature review was performed, covering the period from 2016...
-
Molecular Simulations of Rhodopsin Tetrameter
Publication -
The role of tungsten in formation of active sites for no SCR on the V-W-O catalyst surface — quantum chemical modeling (DFT)
Publication -
Numerical and physical modeling of water flow over the ogee weir of the new Niedów barrage
Publication -
Determination of Complex Permeability of Silicon Steel for Use in High-Frequency Modeling of Power Transformers
Publication -
Population Modeling of Filgrastim PK-PD in Healthy Adults Following Intravenous and Subcutaneous Administrations
Publication -
Numerical modeling of cross-flow heat exchanger for air-conditioning purposes in preliminary study.
PublicationPraca przedstawia wyniki obliczeń numerycznych krzyżowego płytowo-rurowego wymiennika ciepła przeznaczonego do celów klimatyzacyjnych w początkowym etapie jego projektowania.
-
Modeling of effect of plastic deformation on Barkhausen noise and magnetoacoustic emission in iron with 2% silicon
PublicationW modelowaniu zaadaptowano model Alessandro-Beatrice-Bertotti-Montorsi dla opisu ruchu granic nie-180 stopniowych oraz model Jiles-Atherton dla opisu wpływu plastycznej deformacji na natężenie efektu Barkhausena oraz emisji magnetoakustcznej.
-
Improvement of the Rhizoremediation efficiency of PAHs contaminated soil under cysteine treatment along with modeling
Publication -
NOx emission from a two-stroke ship engine. Part 1: Modeling aspect
Publication -
Modeling the electrical characteristics of P3HT:PCBM bulk heterojunction solar cells: Influence of the interface recombination
PublicationThe interface recombination of charge carriers located in the material with lower permittivity (Szmytkowski 2009 Chem.Phys.Lett. 470 123) has been implemented for the first time to calculate the electrical characteristics of the donor-acceptor P3HT:PCBM bulk heterojunction solar cell. In order to estimate the photocurrent density in this system, a simple analytical formula has been derived. We have obtained a very good agreement...
-
<title>Modeling of broadband light source to use with optical coherent tomography system</title>
Publication -
Modelowanie hydraulicznych skutków katastrofy zapory wodnej. Modeling of dam-break water flow
PublicationPrzedstawiono numeryczne rozwiązanie równań przepływu wody płytkiej wywołanego katastrofą zapory wodnej. Przestrzenną dyskretyzację równań wykonano metodą objętości skończonych. Metodę zastosowano do prognostycznych obliczeń propagacji fali wezbraniowej wywołanej katastrofą zapory wodnej w dolinie rzeki Toce. Wyniki obliczeń porównano z dostępnymi (obcymi) pomiarami wykonanymi na fizycznym modelu doliny. Uzyskano zadowalającą...
-
Decisional DNA for modeling and reuse of experiential clinical assessments in breast cancer diagnosis and treatment
PublicationClinical Decision Support Systems (CDSS) are active knowledge resources that use patient data to generate case specific advice. The fast pace of change of clinical knowledge imposes to CDSS the continuous update of the domain knowledge and decision criteria. Traditional approaches require costly tedious manual maintenance of the CDSS knowledge bases and repositories. Often, such an effort cannot be assumed by medical teams, hence...
-
Mathematical Modeling of the Impact Range of Sewage Discharge on the Vistula Water Quality in the Region of Włocławek
PublicationThe paper presents results of analysis of the industrial sewage discharge influence at km 688 + 250 of the Vistula River on water quality. During the analysis, two-dimensional models of flow, impurities and temperature transport were used. Hydrological conditions of the analyzed section of the river, characteristic flows and bathymetry of the riverbed in the first instance were defined. Calculations of velocity distribution at...
-
MATHEMATICAL MODELING OF FLOOD MANAGEMENT SYSTEM IN THE CITY OF GDAŃSK, ORUŃSKI STREAM CASE STUDY
PublicationAim of the study This study analyses the efficiency of flood protection in a small urban catchment, based on a system of small reservoirs. Material and methods To assess the flood routing and surge reduction, a mathematical model of the river catchment was implemented. This was a lumped hydrological model, based on the SCS-CN method. Channel routing was performed, using kinematic wave equation. The sub-catchments have been determined...
-
Mathematical modeling of hydrogen production performance in thermocatalytic reactor based on the intermetallic phase of Ni3Al
PublicationThe main goal of the following work is to adjust mathematical modelling for mass transfer, to specific conditions resulting from presence of chemical surface reactions in the flow of the mixture consisting of helium and methanol. The thermocatalytic devices used for decomposition of organic compounds incorporate microchannels coupled at the ends and heated to 500 oC at the walls regions. The results of the experiment were compared...
-
Highlights from RNDM 2018 – 10th Anniversary Workshop on Resilient Networks Design and Modeling
PublicationArtykuł prezentujący relację z workshopu RNDM 2018
-
Computing internodal conductivities in numerical modeling of two dimensional unsaturated flow on rectangular grid
PublicationW artykule porównano rozwiązania numeryczne dwuwymiarowego równania przepływu nienasyconego z użyciem różnych metod uśredniania współczynnika przewodności hydraulicznej między sąsiednimiwęzłami. Uwzględniono średnia arytmetyczną, geometryczną, "pod prad" oraz całkową, a także niedawno zaproponowany sposób uśredniania oparty na analizie przepływu ustalonego. Ten ostatni sposób okazałsię najbardziej uniwersalny, gdyż umożliwiał otrzymanie...
-
Submerged objects modeling and storing in a global reference context using multiresolution spline technique,
PublicationContemporary records from multibeam sonars or even elevations from 3D shuttle radar topography missions feature high resolution. On the other hand, bathymetric models of a different resolution from different sensors are available as well, beginning from very high resolution MBS records and low resolution records coming from regular scattered measurements. Approximating and eventually visualizing the high volume scattered 3D raster...
-
Sparse vector autoregressive modeling of audio signals and its application to the elimination of impulsive disturbances
PublicationArchive audio files are often corrupted by impulsive disturbances, such as clicks, pops and record scratches. This paper presents a new method for elimination of impulsive disturbances from stereo audio signals. The proposed approach is based on a sparse vector autoregressive signal model, made up of two components: one taking care of short-term signal correlations, and the other one taking care of long-term correlations. The method...
-
A new approach to modeling of selected human respiratory system diseases, directed to computer simulations
PublicationThis paper presents a new versatile approach to model severe human respiratory diseases via computer simulation. The proposed approach enables one to predict the time histories of various diseases via information accessible in medical publications. This knowledge is useful to bioengineers involved in the design and construction of medical devices that are employed for monitoring of respiratory condition. The approach provides the...
-
Modeling of low calorific gas burning in a deficient oxygen environment and high-temperature oxidizer
PublicationThe experimental research will be performed using the experimental facility with a combustion chamber. The oxygen concentration in combustion oxidizers will be varied from 21% by volume (normal) air to 2%. The test combustion chamber will be fed with propane or methane as the reference fuel, then with low calorific fuels as test gases obtained by mixing various combustible components, e.g. H2, CH4, CO, and neutral gases, e.g. N2,...
-
Accurate modeling of layout parasitic to forecast EMI emitted from a DC-DC converter.
PublicationThis paper illustrates how to account for all parasitic due to the layout of a power converter (inductive and capacitive), in order to forecast electromagnetic interferences (EMI). The method is generic, and is validated here in the simple example of a DC-DC converter, realized on different technologies: insulated metal substrate (IMS), printed circuit board (PCB). In addition, several layouts aspects will be investigated. Conclusions...
-
Geospatial Modeling of the Tombolo Phenomenon in Sopot using Integrated Geodetic and Hydrographic Measurement Methods
Publication -
Comparative modeling of shear zone patterns in granular bodies with finite and discrete element method
PublicationW artykule przedstawiono wyniki numeryczne naporu piasku na ściankę szczelną. Obliczenia wykonano stosując metodę elementów dyskretnych i skończonych na bazie mikropolarnego hipoplastycznego prawa materiałowego. Porównanie obu podejść wykonano na poziomie makro i mikro. Wyniki numeryczne porównano także z wynikami doświadczalnymi.
-
Mechanism of recognition of parallel G-quadruplexes by DEAH/RHAU helicase DHX36 explored by molecular dynamics simulations
Publication -
Molecular dynamics study of a gelsolin-derived peptide binding to a lipid bilayer containing phosphatidylinositol 4,5-bisphosphate
Publication -
Multiple β-sheet molecular dynamics of amyloid formation from two ABl-SH3 domain peptides
Publication -
The effect of high molecular weight bio-based diamine derivative of dimerized fatty acids obtained from vegetable oils on the structure, morphology and selected properties of poly(ether-urethane-urea)s
PublicationIn this work, the effect of the high molecular weight bio-based diamine on the chemical structure and selected properties of poly(ether-urethane-urea)s has been investigated. The ether-urethane prepolymer was cured using 1,4-butanediol and/or bio-based diamine. Mentioned chain extenders were used separately or in the mixture, and their different molecular weight and chemical structure resulted in obtaining materials with diversified...
-
Justification of quasi-stationary approximation in models of gene expression of a self-regulating protein
PublicationWe analyse a model of Hes1 gene transcription and protein synthesis with a negative feedback loop. The effect of multiple binding sites in the Hes1 promoter as well as the dimer formation process are taken into account. We consider three, possibly different, time scales connected with: (i) the process of binding to/dissolving from a binding site, (ii) formation and dissociation of dimers, (iii) production and degradation of Hes1...
-
Standing Waves in One-Dimensional Resonator Contaning an Ideal Isothermal Gas Affected by the Constant Mass Force
PublicationThe study is devoted to standing acoustic waves in one-dimensional planar resonator which containing an ideal gas. A gas is affected by the constant mass force. Two types of physically justified boundary conditions are considered: zero velocity or zero excess pressure at both boundaries. The variety of nodal and antinodal points is determined. The conclusion is that the nodes of pressure and antinodes of velocity do not longer...
-
Robust Parameter Estimation and Output Prediction for Reactive Carrier-Load Nonlinear Dynamic Networks
PublicationIn this paper an extension of on-line model simplification technique for a class of networked systems, namely reactive carrier-load nonlinear dynamic networked system (RCLNDNS), kept within point-parametric model (PPM) framework is addressed. The PPM is utilised to acquire a piece wise constant time-varying parameter linear structure for the RCLNDNS suitable for the on-line one step ahead prediction that may be applied to monitoring...
-
Fast surrogate-assisted frequency scaling of planar antennas with circular polarisation
PublicationIn this work, the problem of computationally efficient frequency scaling (re-design) of circular polarisation antennas is addressed using surrogate-assisted techniques. The task is challenging and requires the identification of the optimum geometry parameters to enable the operation of the re-designed structure at a selected (required) centre frequency. This involves handling several performance figures such as the antenna gain,...
-
Shape and force control of cable structures with minimal actuators and actuation
PublicationShape adjustment and stress control can be considered as one of the effective parameters in prestressed cable structures since such structures are widely constructed nowadays due to their characteristics. The assembly errors and applied loads hugely affect the cables’ nodal positions and stress due to their delicacy. The former could disturb the shape, which affects the appearance and the function of the structure. In contrast,...
-
Numerical Estimate of the Spectral Resonance Structure Frequency Scale of Natural ULF Magnetic Field
Publication -
Computationally Efficient Surrogate-Assisted Design of Pyramidal-Shaped 3D Reflectarray Antennas
PublicationReflectarrays (RAs) have been attracting considerable interest in the recent years due to their appealing features, in particular, a possibility of realizing pencil-beam radiation patterns, as in the phased arrays, but without the necessity of incorporating the feeding networks. These characteristics make them attractive solutions, among others, for satellite communications or mobile radar antennas. Notwithstanding, available microstrip...
-
Performance Analysis of the "Intelligent" Kirchhoff- Law - Johnson-Noise Secure Key Exchange
PublicationThe Kirchhoff-law - Johnson-noise (KLJN) secure key distribution system provides a way of exchanging theoretically secure keys by measuring random voltage and current through the wire connecting two different resistors at Alice’s and Bob’s ends. Recently new advanced protocols for the KLJN method have been proposed with enhanced performance. In this paper, we analyze the KLJN system and compare with the „intelligent” KLJN (iKLJN)...
-
THE INFLUENCE OF THE URBAN DESIGN ON THE AIR EXCHANGE IN CITIES. SELECTED PROBLEMS IN POLISH REALITY
PublicationThe progress of the architecture and urbanism raises problems requiring interdisciplinary research conducted with the use of advanced experimental techniques and computer simulation. The fields of this research include aerodynamics, especially in intensively developed area of Environmental Wind Engineering (EWE). Aerodynamic phenomena occurring around buildings have a significant impact on the quality of the climate in the cities....
-
Dependence between Ionic Liquid Structure and Mechanism of Visible-Light-Induced Activity of TiO2 Obtained by Ionic-Liquid-Assisted Solvothermal Synthesis
PublicationBecause of the tremendous structural diversityof ionic liquids (ILs), simple transfer of observations performed for one IL used for IL-TiO2 preparation on different samples is not possible. Therefore, four ionic liquids, all containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, ammonium, imidazolium), were used for the first time for the preparation of IL-TiO2 composites. The role of the individual IL...