Filters
total: 2212
filtered: 1682
-
Catalog
- Publications 1682 available results
- Journals 289 available results
- Conferences 82 available results
- Publishing Houses 1 available results
- People 35 available results
- Projects 2 available results
- e-Learning Courses 20 available results
- Events 2 available results
- Open Research Data 99 available results
Chosen catalog filters
displaying 1000 best results Help
Search results for: COMPUTATIONAL DRUG DISCOVERY
-
Experiments and numerical modeling of meat and bone meal pyrolysis in a rotary kiln
PublicationThe paper presents aspects of modelling the pyrolysis of meat and bone meal (MBM) in a rotary kiln. The pyrolysis of MBM produces a solid fraction which can be used as a fuel, a liquid fraction with potential chemical applications and a low heating value gas. The meat and bone meal pyrolysis was carried out at the temperature of 900 oC. Main features of experiments and numerical model of the pyrolysis were described. The model...
-
Analyzing sets of phylogenetic trees using metrics
PublicationThe reconstruction of evolutionary trees is one of the primary objectives in phylogenetics. Such a tree represents historical evolutionary relationships between different species or organisms. Tree comparisons are used for multiple purposes, from unveiling the history of species to deciphering evolutionary associations among organisms and geographical areas. In this paper, we describe a general method for comparing phylogenetictrees...
-
Software tool for modelling of mechatronic systems with elastic continua
PublicationThe paper presents a systematic computational package for modelling and analysis of complex systems composed of multiple lumped and distributed parameter subsystems. The constructed computer program enables the frequency domain analysis of a class of linear systems and to obtain reduced order model in the form of bond graph. Obtained modal bond graph can be directly exported into 20-Sim package to further processing including nonlinear...
-
Massive surveillance data processing with supercomputing cluster
PublicationIn recent years, increasingly complex algorithms for automated analysis of surveillance data are being developed. The rapid growth in the number of monitoring installations and higher expectations of the quality parameters of the captured data result in an enormous computational cost of analyzing the massive volume of data. In this paper a new model of online processing of surveillance data streams is proposed, which assumes the...
-
Exact modal absorbing boundary condition for waveguide simulations - discrete Green's function approach
PublicationA modal absorbing boundary condition (ABC) based on the discrete Green's function (DGF) is introduced and applied for termination of waveguides simulated by means of the finite-difference time-domain (FDTD) method. The differences between the developed approach and implementations already demonstrated in the literature are presented. By applying DGF, a consistent theoretical approach to modal ABC in the FDTD method is obtained....
-
In silico approaches for better understanding cysteine cathepsin-glycosaminoglycan interactions
PublicationCysteine cathepsins constitute the largest cathepsin family, with 11 proteases in human that are present primarily within acidic endosomal and lysosomal compartments. They are involved in the turnover of intracellular and extracellular proteins. They are synthesized as inactive procathepsins that are converted to mature active forms. Cathepsins play important roles in physiological and pathological processes and, therefore, receive...
-
Experimental study of the post tensioned prestressed concrete corbels
PublicationThe results of experimental investigation of 6 symmetrical double prestressed corbels of variable shear span to depth ratio and variable location of prestressing bars are presented in the paper. The post ten- sioned corbels were prestressed with Macalloy 1030 bars of 25 mm in diameter. The results of the tests were compared with the cracking and load carrying capacity of corbels reinforced with passive reinforce- ment. As a result...
-
Macromodeling techniques for accelerated finite element analysis
PublicationThis paper deals with the Model Order Reduction applied locally in the Finite Element Method (FEM) analysis. Due to the reduction process, blocks of FEM system matrices associated with selected subregions of the computational domain are projected onto the subspaces spanned by the vectors of suited orthogonal projection basis. In effect, large and sparse FEM matrices are replaced with small and dense ones, called macromodels. This...
-
Modeling DAC Application Execution Time
PublicationAn application written in the Divide And Conquer paradigm is more difficult to model than SPMD application because of complex algorithm, causing use of many coefficients in a computational complexity function. Processors are divided into various layers, each layer contains different number of processors. Data packets processed in different layers and transferred between layers have different length. Moreover first layer processors use...
-
Fast Simulation-Driven Design of a Planar UWB Dipole Antenna with an Integrated Balun
PublicationThe paper presents a design of an ultra-wideband (UWB) antenna with an integrated balun. A fully planar balun interfacing the microstrip input of the structure to the coplanar stripline (CPS) input of the dipole antenna is introduced. The electromagnetic (EM) model of the structure includes the dipole, the balun, and the microstrip input to account for interactions over the UWB band. The EM model is adjusted for low reflection...
-
Methods of Network Resource Provisioning for the Future Internet IIP Initiative
PublicationIn this paper, we present specification, design and implementation aspects of a network resource provisioning module introduced for the Polish Initiative of Future Internet called System IIP. In particular, we propose a set of novel LP optimization models of network resource provisioning designed to minimize the network resource consumption, either bandwidth or node’s computational power, as well as to maximize the residual capacity....
-
Hybrid Method Analysis of Unshielded Guiding Structures
PublicationA combination of mode matching, finite element methods and generalized impedance matrix is presented in a context of propagation problems for open guiding structures. The computational domain is divided into two regions: the first one is a circular cylinder containing whole guiding structure and the second one surrounds this artificial cylinder. The impedance matrix is calculated with the use of finite element method in the first...
-
Improvement of time difference of arrival measurements resolution by using fractional delay filters in a direct sequence-code division multiple access radionavigation system
PublicationThis study presents a method of improving time measurements resolution in a direct sequence-code division multiple access receiver by using a fine code tracking loop based on fractional delay filtering of a despreading sequence. It briefly describes the structure of a generic digital code tracking loop and the proposed modification which allows to measure time difference of arrival values with the subsample resolution, together...
-
Using Alpha-beta filtration for robustness improvement of a quadrocopter positioning system
PublicationQuadrocopter is an unmanned aerial vehicle (UAV) platform. The position of the robot is determined based on readings from an accelerometer and a gyroscope, but the measurement signals contain broadband noise. This article describes a solution for filtering out the noise based on an Alpha – beta filter. It also presents the methodology of designing and implementing such a filter for noise cancellation in measurement signals from...
-
Activation of peroxymonosulfate using carbon black nano-spheres/calcium alginate hydrogel matrix for degradation of acetaminophen: Fe3O4 co-immobilization and microbial community response
PublicationHerein, we focused on the degradation of acetaminophen (ACT) drug in liquid phase by peroxymonosulfate (PMS) activated by carbon black nano-spheres (CBNS). The nanostructured activator was immobilized into calcium alginate hydrogel matrix (CAHM) to avoid the washout of the fine nanostructures. The Langmuir modeling showed an insignificant contribution to the adsorption process in the removal of ACT. The basic pH conditions favored...
-
In vitro and in silico assessment of anti-inflammatory activity of cocoa powders
PublicationPlants are considered the major sources of biologically active compounds, which provide unlimited opportunities for their use either as medical treatments or as novel drug formulations. Cocoa powder is frequently used in nutrition and is known to have many benefits thanks to its wide range of biological activities. The presented study was focused on th evaluation of the anti-inflammatory potential of extracts obtained from cocoa...
-
A novel hierarchically-porous diamondized polyacrylonitrile sponge-like electrodes for acetaminophen electrochemical detection
PublicationA novel composite electrode material consisting of tangled fibrous polyacrylonitrile-based hierarchically-struc- tured nanocomposites has been produced by wet-spinning, carbonized and decorated with a carbon nano- architecture by microwave plasma-enhanced chemical vapor deposition and investigated as a metal-free electrode for the enhanced electrochemical detection of acetaminophen. Surprisingly, the hierarchical fiber ar- chitecture...
-
Development of potential candidate reference materials for drugs in bottom sediment, cod and herring tissues
PublicationRegular use of a reference material and participation in a proficiency testing program can improve the reliability of analytical data. This paper presents the preparation of candidate reference materials for the drugs metoprolol, propranolol, carbamazepine, naproxen, and acenocoumarol in freshwater bottom sediment and cod and herring tissues. These reference materials are not available commercially. Drugs (between 7 ng/g and 32...
-
Transport of paracetamol in swellable and relaxing polyurethane nanocomposite hydrogels
PublicationPolyurethane hydrogels are potentially attractive materials for biomedical applications. They are able to absorb large amount of water, biological fluids or active substances, and thus, they have potential to be used as absorbents or wound-healing dressings. They are also used for the controlled release of therapeutics because of their capacity to embed biologically active agents in their water-swollen network. The presence of...
-
On Computationally-Efficient Reference Design Acquisition for Reduced-Cost Constrained Modeling and Re-Design of Compact Microwave Passives
PublicationFull-wave electromagnetic (EM) analysis has been playing a major role in the design of microwave components for the last few decades. In particular, EM tools allow for accurate evaluation of electrical performance of miniaturized structures where strong cross-coupling effects cannot be adequately quantified using equivalent network models. However, EM-based design procedures (parametric optimization, statistical analysis) generate...
-
Improved-Efficacy Optimization of Compact Microwave Passives by Means of Frequency-Related Regularization
PublicationElectromagnetic (EM)-driven optimization is an important part of microwave design, especially for miniaturized components where the cross-coupling effects in tightly arranged layouts make traditional (e.g., equivalent network) representations grossly inaccurate. Efficient parameter tuning requires reasonably good initial designs, which are difficult to be rendered for newly developed structures or when re-design for different operating...
-
Fast Re-Design of Multi-Band Antennas by Means of Orthogonal-Direction Geometry Scaling and Local Parameter Tuning
PublicationApplication-driven design of antenna systems fosters a reuse of structures that have proven competitive in terms of their electrical and field performance, yet have to be re-designed for a new application area. In practice, it most often entails relocation of the operating frequencies or bandwidths, which is an intricate endeavor, normally requiring utilization of numerical optimization techniques. If the center frequencies of...
-
Machine-Learning-Based Global Optimization of Microwave Passives with Variable-Fidelity EM Models and Response Features
PublicationMaximizing microwave passive component performance demands precise parameter tuning, particularly as modern circuits grow increasingly intricate. Yet, achieving this often requires a comprehensive approach due to their complex geometries and miniaturized structures. However, the computational burden of optimizing these components via full-wave electromagnetic (EM) simulations is substantial. EM analysis remains crucial for circuit...
-
Expedited Metaheuristic-Based Antenna Optimization Using EM Model Resolution Management
PublicationDesign of modern antenna systems heavily relies on numerical opti-mization methods. Their primary purpose is performance improvement by tun-ing of geometry and material parameters of the antenna under study. For relia-bility, the process has to be conducted using full-wave electromagnetic (EM) simulation models, which are associated with sizable computational expendi-tures. The problem is aggravated in the case of global optimization,...
-
Globalized Parametric Optimization of Microwave Passive Components Using Simplex-Based Surrogates
PublicationOptimization-based parameter adjustment involving full-wave electromagnetic (EM) simulation models is a crucial stage of present-day microwave design process. In fact, rigorous optimization is the only reliable mean permitting to simultaneously handle multiple geometry/material parameters, objectives, and constraints. Unfortunately, EM-driven design is a computationally intensive endeavor. While local tuning is usually manageable,...
-
Accelerated Parameter Tuning of Antenna Structures by Means of Response Features and Principal Directions
PublicationPopularity of numerical optimization has been steadily on the rise in the design of modern antenna systems. Resorting to mathematically rigorous parameter tuning methods is a matter of practical necessity as interactive techniques (e.g., parameter sweeping) are no longer adequate when handling several performance figures over multi-dimensional parameter spaces. The most common design scenarios involve local tuning since decent...
-
A novel hybrid adaptive framework for support vector machine-based reliability analysis: A comparative study
PublicationThis study presents an innovative hybrid Adaptive Support Vector Machine - Monte Carlo Simulation (ASVM-MCS) framework for reliability analysis in complex engineering structures. These structures often involve highly nonlinear implicit functions, making traditional gradient-based first or second order reliability algorithms and Monte Carlo Simulation (MCS) time-consuming. The application of surrogate models has proven effective...
-
Rapid Yield Optimization of Miniaturized Microwave Passives by Response Features and Variable-Fidelity EM Simulations
PublicationThe operation of high-frequency devices, including microwave passive components, can be impaired by fabrication tolerances but also incomplete knowledge concerning operating conditions (temperature, input power levels) and material parameters (e.g., substrate permittivity). Although the accuracy of manufacturing processes is always limited, the effects of parameter deviations can be accounted for in advance at the design phase...
-
Knowledge-Based Expedited Parameter Tuning of Microwave Passives by Means of Design Requirement Management and Variable-Resolution EM Simulations
PublicationThe importance of numerical optimization techniques has been continually growing in the design of microwave components over the recent years. Although reasonable initial designs can be obtained using circuit theory tools, precise parameter tuning is still necessary to account for effects such as electromagnetic (EM) cross coupling or radiation losses. EM-driven design closure is most often realized using gradient-based procedures,...
-
Constrained multi-objective optimization of compact microwave circuits by design triangulation and pareto front interpolation
PublicationDevelopment of microwave components is an inherently multi-objective task. This is especially pertinent to the design closure stage, i.e., final adjustment of geometry and/or material parameters carried out to improve the electrical performance of the system. The design goals are often conflicting so that the improvement of one normally leads to a degradation of others. Compact microwave passives constitute a representative case:...
-
Review of Selected Methods for Prediction of Added Resistance in Following Waves
PublicationThe 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...
-
Low-Cost Modeling of Microwave Components by Means of Two-Stage Inverse/Forward Surrogates and Domain Confinement
PublicationFull-wave electromagnetic (EM) analysis is one of the most important tools in the design of modern microwave components and systems. EM simulation permits reliable evaluation of circuits at the presence of cross-coupling effects or substrate anisotropy, as well as for accounting for interactions with the immediate environment. However, repetitive analyses required by EM-driven procedures, such as parametric optimization or statistical...
-
Nuclear Power Plant Steam Turbine - Modeling for Model Based Control Purposes
PublicationThe nature of the processes taking place in a nuclear power plant (NPP) steam turbine is the reason why their modeling is very difficult, especially when the model is intended to be used for on-line optimal model based process control over a wide range of operating conditions, caused by changing electrical power demand e.g. when combined heat and power mode of work is utilized. The paper presents three nonlinear models of NPP steam...
-
Artificial Neural Networks as an architectural design tool- generating new detail forms based on the Roman Corinthian order capital
PublicationThe following paper presents the results of the research in the field of the machine learning, investigating the scope of application of the artificial neural networks algorithms as a tool in architectural design. The computational experiment was held using the backward propagation of errors method of training the artificial neural network, which was trained based on the geometry of the details of the Roman Corinthian order capital....
-
Fast Low-fidelity Wing Aerodynamics Model for Surrogate-Based Shape Optimization
PublicationVariable-fidelity optimization (VFO) can be efficient in terms of the computational cost when compared with traditional approaches, such as gradient-based methods with adjoint sensitivity information. In variable-fidelity methods, the directoptimization of the expensive high-fidelity model is replaced by iterative re-optimization of a physics-based surrogate model, which is constructed from a corrected low-fidelity model. The success...
-
Reduced-Cost Design Optimization of High-Frequency Structures Using Adaptive Jacobian Updates
PublicationElectromagnetic (EM) analysis is the primary tool utilized in the design of high-frequency structures. In vast majority of cases, simpler models (e.g., equivalent networks or analytical ones) are either not available or lack accuracy: they can only be used to yield initial designs that need to be further tuned. Consequently, EM-driven adjustment of geometry and/or material parameters of microwave and antenna components is a necessary...
-
Design-Oriented Two-Stage Surrogate Modeling of Miniaturized Microstrip Circuits with Dimensionality Reduction
PublicationContemporary microwave design heavily relies on full-wave electromagnetic (EM) simulation tools. This is especially the case for miniaturized devices where EM cross-coupling effects cannot be adequately accounted for using equivalent network models. Unfortunately, EM analysis incurs considerable computational expenses, which becomes a bottleneck whenever multiple evaluations are required. Common simulation-based design tasks include...
-
DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
-
How thermal stability of ionic liquids leads to more efficient TiO2-based nanophotocatalysts: Theoretical and experimental studies
PublicationIonic liquids (ILs) containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, imidazolium, ammonium, morpholinium) were first used for the preparation of 23 IL-TiO2 types of composites by ionic liquid assisted solvothermal synthesis. These 23 optimal ILs structures (i.e. compounds exhibiting an optimal combination of specific properties, functionality, and safety) for synthesis and experimental validation...
-
On Fast Multi-objective Optimization of Antenna Structures Using Pareto Front Triangulation and Inverse Surrogates
PublicationDesign of contemporary antenna systems is a challenging endeavor, where conceptual developments and initial parametric studies, interleaved with topology evolution, are followed by a meticulous adjustment of the structure dimensions. The latter is necessary to boost the antenna performance as much as possible, and often requires handling several and often conflicting objectives, pertinent to both electrical and field properties...
-
Variable Data Structures and Customized Deep Learning Surrogates for Computationally Efficient and Reliable Characterization of Buried Objects
PublicationIn this study, in order to characterize the buried object via deep-learning-based surrogate modeling approach, 3-D full-wave electromagnetic simulations of a GPR model has been used. The task is to predict simultaneously and independent of each characteristic parameters of a buried object of several radii at different positions (depth and lateral position) in various dispersive subsurface media. This study has analyzed variable...
-
Antenna Optimization Using Machine Learning with Reduced-Dimensionality Surrogates
PublicationIn modern times, antenna design has become more demanding than ever. The escalating requirements for performance and functionality drive the development of intricately structured antennas, where parameters must be meticulously adjusted to achieve peak performance. Often, global adjustments to geometry are necessary for optimal results. However, direct manipulation of antenna responses evaluated with full-wave electromagnetic (EM)...
-
ASYNCHRONICZNE METODY RADIOLOKALIZACYJNE
PublicationW pracy przedstawiono wybrane problemy lokalizowania obiektów w asynchronicznych sieciach radiowych. W pierwszej kolejności zostały zdefiniowane kryteria jakościowe do oceny efektywności pracy opracowanych metod oraz przedstawiono model symulacyjny, który został użyty do badań. W kolejnych trzech rozdziałach szczegółowo opisano trzy oryginalne asynchroniczne metody radiolokalizacyjne w różnych wariantach. Przeprowadzono analizę...
-
Acoustics - new services for urban planning, research and education
PublicationThe main purpose of the presented design is twofold, namely: providing detailed information about the noise threats that occur every day in city areas and preventing the noise induced hearing loss especially among young people. An experimental system designed for the continuous monitoring of the acoustic climate of urban areas was developed and implemented within the PLGrid Plus project. The assessment of environmental threats...
-
Lax-Wendroff and McCormack Schemes for Numerical Simulation of Unsteady Gradually and Rapidly Varied Open Channel Flow
PublicationTwo explicit schemes of the finite difference method are presented and analyzed in the paper. The applicability of the Lax-Wendroff and McCormack schemes for modeling unsteady rapidly and gradually varied open channel flow is investigated. For simulation of the transcritical flow the original and improved McCormack scheme is used. The schemes are used for numerical solution of one dimensional Saint-Venant equations describing free...
-
On ''cheap smoothing'' opportunities in identification of time-varying systems
PublicationIn certain applications of nonstationary system identification the model-based decisions can be postponed, i.e. executed with a delay. This allows one to incorporate into the identification process not only the currently available information, but also a number of ''future'' data points. The resulting estimation schemes, which involve smoothing, are not causal. Despite the possible performance improvements, the existing smoothing...
-
Context Search Algorithm for Lexical Knowledge Acquisition
PublicationA Context Search algorithm used for lexical knowledge acquisition is presented. Knowledge representation based on psycholinguistic theories of cognitive processes allows for implementation of a computational model of semantic memory in the form of semantic network. A knowledge acquisition using supervised dialog templates have been performed in a word game designed to guess the concept a human user is thinking about. The game,...
-
PRZEGLĄD METOD PRZETWARZANIA DŹWIĘKU WYKORZYSTYWANYCH W APARATACH SŁUCHOWYCH
PublicationNiniejszy artykuł odnosi się do aktualnego stanu technologii wykorzystywanych w cyfrowych aparatach słuchowych, ze szczególnym uwzględnieniem technik cyfrowego przetwarzania sygnałów dźwiękowych. W artykule przedstawiono czynniki mające wpływ na efektywność aparatów słuchowych, a także zaprezentowano przykłady nowoczesnych metod cyfrowego przetwarzania sygnałów. Przedstawiono również przykłady ograniczeń współczesnych aparatów...
-
Face detection in image sequences using a portable thermal camera
PublicationFace detection is often a first step in quantitative analysis of face images. It is an important research area for visible images and recently also for thermography. Due to technological developments thermal cameras may be embedded into wearable devices to provide remote healthcare. In this paper, we compared three algorithms for face detection in thermal images by testing execution time, accuracy, symmetry ratio and false-positives....
-
A role of the heat and work uncompensatedtransformations in the balance of entropy and theturbomachinery efficiency
PublicationIn the paper we have presented a procedure of estimating a role of the uncompensated transformation of heat and work in ow of viscous and heat conducting uid. The procedure was introduced by Professor Romuald Puzyrewski and is essential in local, in time and space, balance of entropy. Furthermore this unique approach leads to redenition the eciency of uid-ow machinery in three-dimensional modeling using CFD (Computational Fluid...