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Wyniki wyszukiwania dla: ambiguous restraints, coarse-grained models, nmr-assisted protein-structure modeling, unres
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Advances in Protein Chemistry and Structural Biology
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Current Topics in Peptide and Protein Research
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International Journal of Peptide and Protein Research
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AMYLOID-JOURNAL OF PROTEIN FOLDING DISORDERS
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Modeling the effect of electric vehicles on noise levels in the vicinity of rural road sections
PublikacjaNumerous European countries experience a steady increase in the share of electric (EV) and hybrid electric (HEV) vehicles in the traffic stream. These vehicles, often referred to as low- or zero-emission vehicles, significantly reduce air pollution in the road environment. They also have a positive effect on noise levels in city centers and in the surroundings of low-speed roads. Nevertheless, issues related to modeling noise from...
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublikacjaThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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Modeling hydrolysis of slowly biodegradable organic compounds in biological nutrient removal activated sludge systems
PublikacjaHydrolysis is an important process in biological wastewater treatment and has been known as the rate limiting step in organic carbon removal from municipal or industrial wastewater. The biodegradation of XS is initiated by hydrolysis which is an integral part of activated sludge models, such as the Activated Sludge Model no. 2d (ASM2d). The aim of this study was to evaluate different concepts of modeling the hydrolysis process...
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Synthesis, crystal structure and cytotoxic activity of ruthenium(II) piano-stool complex with N,N-chelating ligand
PublikacjaA mononuclear compound of the general formula [(η6-p-cymene)RuIICl(2,2′-PyBIm)]PF6 has been synthesized from a bidentate N,N-donor ligand, viz. 2,-(2′-pyridyl)benzimidazole (2,2′-PyBIm) and the corresponding chloro-complex [(η6-p-cymene)Ru(μ-Cl)Cl]2 (precursor). The isolated coordination compound was characterized by IR, UV–vis and 1H, 13C NMR spectroscopies. The single crystal X-ray analysis of the complex reveals that the asymmetric...
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Numerical modeling and experimental validation of full-scale segment to support design of novel GFRP footbridge
PublikacjaThe paper contains analysis of full-scaled three meters long segment of a novel composite footbridge. Both numerical modeling and experimental validation were performed. Analyzed object is a shell type sandwich channel-like structure made of composite sandwich with GFRP laminates as a skin and PET foam as a core. Several static load schemes were performed including vertical and horizontal forces. In FEM analysis multilayered laminate...
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Data Acquisition and Processing for GeoAI Models to Support Sustainable Agricultural Practices
PublikacjaThere are growing opportunities to leverage new technologies and data sources to address global problems related to sustainability, climate change, and biodiversity loss. The emerging discipline of GeoAI resulting from the convergence of AI and Geospatial science (Geo-AI) is enabling the possibility to harness the increasingly available open Earth Observation data collected from different constellations of satellites and sensors...
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Testing the impact of simplifications adopted in models describing wave loads on ship
PublikacjaThe wave-ship system in naval architecture is generally assumed to be a linear one. This allows for the computation of a transfer function of ship response to waves including wave loads on ship. The transfer function and the wave spectral density function enable the development of the stochastic process of wave loads on ship, corresponding to the irregular wave generating that loads. If the mathematical models of wave load transfer...
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Testing the impact of simplifications adopted in models describing wave loads on ship
PublikacjaThe wave-ship system in naval architecture is generally assumed to be a linear one. This allows for the computation of a transfer function of ship response to waves including wave loads on ship. The transfer function and the wave spectral density function enable the development of the stochastic process of wave loads on ship, corresponding to the irregular wave generating that loads. If the mathematical models of wave load transfer...
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Limits of enhanced of macro- and meso-scale continuum models for studying size effect in concrete under tension
PublikacjaThe paper investigates a mechanical quasi-static size effect in concrete during splitting tension at the macro- and meso-level. In experiments, five different diameters of cylindrical concrete specimens were tested. Twodimensional plane strain finite element (FE) simulations were carried out to reproduce the experimental size effect. The size effect in experiments by Carmona et al. was also simulated. Two enhanced continuum concrete...
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Least absolute shrinkage and selection operator and dimensionality reduction techniques in quantitative structure retention relationship modeling of retention in hydrophilic interaction liquid chromatography
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Structure and thermal expansion of liquid bismuth
PublikacjaExperimental structural data for liquid Bi were used for estimation of the main structure parameters as well as the thermal expansion coefficient both in supercooled and superheated temperature ranges. It was shown that the equilibrium melt had a positive thermal expansion coefficient within a temperature range upon melting and a negative one at higher temperatures. The former was related to structure changes upon melting, whereas...
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Spatially variant PSF modeling in confocal macroscopy
PublikacjaThe point spread function (PSF) of imaging systems plays an essential role in image reconstruction. In the context of confocal microscopy, optical performance degrades towards the edge of the field of view. In confocal macroscopy, the related artifacts are even stronger, as the field of view is much larger. Because the related PSFs are strongly spatially variant, it is essential to be able to model them with few parameters. The...
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Numerical modeling of sound intensity distributions around acoustic transducer
PublikacjaThe aim of this research study is to measure, simulate and compare sound intensity distribution generated by the acoustic transducers of the loudspeaker. The comparison of the gathered data allows for validating the numerical model of the acoustic radiation. An accurate model of a sound source is necessary in mathematical modeling of the sound field distribution near the scattering obstacles. An example of such obstacle is a human...
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Nested Kriging with Variable Domain Thickness for Rapid Surrogate Modeling and Design Optimization of Antennas
PublikacjaDesign of modern antennas faces numerous difficulties, partially rooted in stringent specifications imposed on both electrical and field characteristics, demands concerning various functionalities (circular polarization, pattern diversity, band-notch operation), but also constraints imposed upon the physical size of the radiators. Conducting the design process at the level of full-wave electromagnetic (EM) simulations, otherwise...
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A Method for the Evaluation of Urban Freight Transport Models as a Tool for Improving the Delivery of Sustainable Urban Transport Policy
PublikacjaThe article presents a method which helps local authorities to evaluate urban freight transport models. Given the complex requirements for input data and the inability to supply them for most cities, a proper quantitative evaluation of model functionality may be quite difficult for local authorities. Freight transport models designed to support sustainable urban freight transport objectives are a particular example. To overcome...
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Microwave assisted liquefaction with crude glycerol as a potential method of brewer's spent grain utylization
PublikacjaBrewer's spent grain was applied as a low-cost industrial type of lignocellulose biomass in a liquefaction and solvent: biomass ratio on the efficiency of the process, chemical structure and basic properties of obtained prepared polyols and soil residues shed light on the biomass degradation mechanism through application of microwaves and further reaction of degradation products with solvent particles.
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Modeling an Industrial Revolution: How to Manage Large-Scale, Complex IoT Ecosystems?
PublikacjaAdvancements around the modern digital industry gave birth to a number of closely interrelated concepts: in the age of the Internet of Things (IoT), System of Systems (SoS), Cyber-Physical Systems (CPS), Digital Twins and the fourth industrial revolution, everything revolves around the issue of designing well-understood, sound and secure complex systems while providing maximum flexibility, autonomy and dynamics. The aim of the...
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Jerzy Kowalski dr hab. inż.
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Model Correction and Optimization Framework for Expedited EM-Driven Surrogate-Assisted Design of Compact Antennas
PublikacjaDesign of compact antennas is a numerically challenging process that heavily relies on electromagnetic (EM) simulations and numerical optimization algorithms. For reliability of simulation results, EM models of small radiators often include connectors which—despite being components with fixed dimensions—significantly contribute to evaluation cost. In this letter, a response correction method for antenna models without connector,...
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Modeling and Designing Acoustical Conditions of the Interior – Case Study
PublikacjaThe primary aim of this research study was to model acoustic conditions of the Courtyard of the Gdańsk University of Technology Main Building, and then to design a sound reinforcement system for this interior. First, results of measurements of the parameters of the acoustic field are presented. Then, the comparison between measured and predicted values using the ODEON program is shown. Collected data indicate a long reverberation...
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Modeling sequencing batch reactor operational conditions depending on oxygen concentration
PublikacjaSequencing batch reactors (SBR) can be used as a fill-and draw activated sludge system for wastewater treatment with considerable operating flexibility and the possibility to conduct experiments under standard conditions and extreme case scenarios. Mathematical modeling and computer simulations provide an opportunity to implement existing wastewater processes in modeling software and evaluate different modifications at low costs...
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Electromagnetic Modeling of Microstrip Elements Aided with Artificial Neural Network
PublikacjaThe electromagnetic modeling principle aided withartificial neural network to designing the microwave widebandelements/networks prepared in microstrip technology is proposedin the paper. It is assumed that the complete information is knownfor the prototype design which is prepared on certain substratewith certain thickness and electric permittivity. The longitudinaland transversal dimensions of new design...
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Novel structure and EM-driven design of miniaturized microstrip rat-race coupler
PublikacjaIn this paper, a novel structure and design procedure of a miniaturized microstrip rat-race coupler (RRC) is described. Small size of the RRC is achieved by folding the transmission lines of the conventional circuit into its interior, as well as by implementation of the structure on three layers. The final size of the coupler realized for the operating frequency of 1 GHz is only 220 mm2, which gives over 95% footprint reduction...
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Reduced order models in computational electromagnetics (in memory of Ruediger Vahldieck)
PublikacjaThis paper reviews research of Ruediger Vahldieck's group and the group at the Gdansk University of Technology in the area of model order reduction techniques for accelerating full-wave simulations. The applications of reduced order models to filter design as well as of local and nested(multilevel) macromodels for solving 3D wave equations and wave-guiding problems using finite difference and finite element methods are discussed.
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On existence and uniqueness of weak solutions for linear pantographic beam lattices models
PublikacjaIn this paper, we discuss well-posedness of the boundary-value problems arising in some “gradientincomplete” strain-gradient elasticity models, which appear in the study of homogenized models for a large class ofmetamaterials whosemicrostructures can be regarded as beam lattices constrained with internal pivots. We use the attribute “gradient-incomplete” strain-gradient elasticity for a model in which the considered strain energy...
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On the interspike-intervals of periodically-driven integrate-and-fire models
PublikacjaWe analyze properties of the firing map, which iterations give information about consecutive spikes, for periodically driven linear integrate-and-fire models. By considering locally integrable (thus in general not continuous) input functions, we generalize some results of other authors. In particular, we prove theorems concerning continuous dependence of the firing map on the input in suitable function spaces. Using mathematical...
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A Surrogate-Assisted Measurement Correction Method for Accurate and Low-Cost Monitoring of Particulate Matter Pollutants
PublikacjaAir pollution involves multiple health and economic challenges. Its accurate and low-cost monitoring is important for developing services dedicated to reduce the exposure of living beings to the pollution. Particulate matter (PM) measurement sensors belong to the key components that support operation of these systems. In this work, a modular, mobile Internet of Things sensor for PM measurements has been proposed. Due to a limited...
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Bees Detection on Images: Study of Different Color Models for Neural Networks
PublikacjaThis paper presents an approach to bee detection in video streams using a neural network classifier. We describe the motivation for our research and the methodology of data acquisition. The main contribution to this work is a comparison of different color models used as an input format for a feedforward convolutional architecture applied to bee detection. The detection process has is based on a neural binary classifier that classifies...
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Nonlocal Models of Plates and Shells with Applications in Micro- and Nanomechanics
PublikacjaNowadays, the use of small-scale structures in micro/nanomachines has become more and more widespread. The most important applications of such small-sized parts are in micro-electro-mechanical systems (MEMS) as well as nano-electro-mechanical systems (NEMS) as actuators, sensors, energy harvesters. For example, nanosensors are nanoscale devices that measure physical quantities and convert these to signals that can be detected and...
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Periodic Properties of 1D FE Discrete Models in High Frequency Dynamics
PublikacjaFinite element discrete models of various engineering 1D structures may be considered as structures of certain periodic characteristics. The source of this periodicity comes from the discontinuity of stress/strain field between the elements. This behaviour remains unnoticeable, when low frequency dynamics of these structures is investigated. At high frequency regimes, however, its influence may be strong enough to dominate calculated...
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Artificial intelligence models in prediction of response to cardiac resynchronization therapy: a systematic review
PublikacjaThe aim of the presented review is to summarize the literature data on the accuracy and clinical applicability of artificial intelligence (AI) models as a valuable alternative to the current guidelines in predicting cardiac resynchronization therapy (CRT) response and phenotyping of patients eligible for CRT implantation. This systematic review was performed...
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Double-Blind Reputation vs. Intelligent Fake VIP Attacks in Cloud-Assisted Interactions
PublikacjaWe consider a generic model of Client-Server interactions in the presence of Sender and Relay, conceptual agents acting on behalf of Client and Server, respectively, and modeling cloud service providers in the envisaged "QoS as a Service paradigm". Client generates objects which Sender tags with demanded QoS level, whereas Relay assigns the QoS level to be provided at Server. To verify an object's right to a QoS level, Relay detects...
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Modeling hydrolysis of slowly biodegradable organic compounds in biological nutrient removal activated sludge systems
PublikacjaHydrolysis is an important process in biological wastewater treatment and is known to be the ratelimiting step in organic carbon removal from municipal or industrial wastewater. The influence of the readily biodegradable chemical oxygen demand fraction in biological wastewater treatment systems has been extensively investigated, but little is known about the effects of slowly biodegradable substrate (XS) on denitrification and...
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Reliable Surrogate Modeling of Antenna Input Characteristics by Means of Domain Confinement and Principal Components
PublikacjaA reliable design of contemporary antenna structures necessarily involves full-wave electromagnetic (EM) analysis which is the only tool capable of accounting, for example, for element coupling or the effects of connectors. As EM simulations tend to be CPU-intensive, surrogate modeling allows for relieving the computational overhead of design tasks that require numerous analyses, for example, parametric optimization or uncertainty...
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Modeling the impact of surface currents in a harbor using graph theory
PublikacjaEnsuring security in a harbor requires research into its infrastructure using spatial environmental data. This paper presents a methodology that defines the design of a graph for modeling the interactions between surface currents and moving objects. Combining this graph with port charts that integrate electronic navigation charts with coastal orthophotographs allows us to perform a multidimensional analysis. In addition, the complete...
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Evaluation of Facial Pulse Signals Using Deep Neural Net Models
PublikacjaThe reliable measurement of the pulse rate using remote photoplethysmography (PPG) is very important for many medical applications. In this paper we present how deep neural networks (DNNs) models can be used in the problem of PPG signal classification and pulse rate estimation. In particular, we show that the DNN-based classification results correspond to parameters describing the PPG signals (e.g. peak energy in the frequency...
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The solvent-assisted dispersive solid-phase extraction method revisited. Application for the determination of anionic surfactants
PublikacjaA new approach in solvent-assisted dispersive solid-phase extraction (SA-DSPE) procedure using a supercooled liquid was developed. It demonstrates the first use of a supercooled liquid in this technique, in particular, and in chemical analysis in general. Moreover, to the best of our knowledge, this is the first work devoted to the determination of the total concentration of anionic surfactants (as LAS, Linear alkylbenzene sulfonate)...
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Surrogate Modeling and Optimization Using Shape-Preserving Response Prediction: A Review
PublikacjaComputer simulation models are ubiquitous in modern engineering design. In many cases, they are the only way to evaluate a given design with sufficient fidelity. Unfortunately, an added computa-tional expense is associated with higher fidelity models. Moreover, the systems being considered are often highly nonlinear and may feature a large number of designable parameters. Therefore, it may be impractical to solve the design problem...
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Numerical analysis of mechanical properties of an infill structure used in 3D printings
PublikacjaThe paper presents results of a numerical analysis focused on an identification of mechanical properties of an element created by using Fused Deposition Modelling additive manufacturing technique (FDM). There is presented a description of technology of the 3D printing, numerical model created by using the finite element method (FEM), as well as some problems referred to estimation of the mechanical properties of the printout. The...
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Machine Learning Assisted Interactive Multi-objectives Optimization Framework: A Proposed Formulation and Method for Overtime Planning in Software Development Projects
PublikacjaMachine Learning Assisted Interactive Multi-objectives Optimization Framework: A Proposed Formulation and Method for Overtime Planning in Software Development Projects Hammed A. Mojeed & Rafal Szlapczynski Conference paper First Online: 14 September 2023 161 Accesses Part of the Lecture Notes in Computer Science book series (LNAI,volume 14125) Abstract Software development project requires proper planning to mitigate risk and...
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Wideband crossover structure with double ring resonators
PublikacjaThe structure of a four-port microstrip crossover is presented. The device is composed of two ring resonators, one circular and one built from meander lines, connected by four straight lines. The equivalent circuit model of the crossover is derived. The structure is designed on thin and flexible substrate to allow it to bend. The possibility of applying the device on curved surfaces is tested experimentally.
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublikacjaThe 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...
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Thermodynamic modeling of combustion process of the internal combustion engines – an overview
PublikacjaThe mathematical description of combustion process in the internal combustion engines is a very difficult task, due to the variety of phenomena that occurring in the engine from the moment when the fuel-air mixture ignites up to the moment when intake and exhaust valves beginning open. Modeling of the combustion process plays an important role in the engine simulation, which allows to predict incylinder pressure during the combustion,...
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Fast Multi-Objective Antenna Optimization Using Sequential Patching and Variable-Fidelity EM Models
PublikacjaIn this work, a technique for fast multi-objective design optimization of antenna structures is presented. In our approach, the initial approximation of the Pareto set representing the best possible trade-offs between conflicting design objectives is obtained by means of sequential patching of the design space. The latter is a stencil-based search that aims at creating a path that connects the extreme Pareto-optimal designs (obtained...
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Magnetically recyclable TiO2/MXene/MnFe2O4 photocatalyst for enhanced peroxymonosulphate-assisted photocatalytic degradation of carbamazepine and ibuprofen under simulated solar light
PublikacjaIn this study, a novel TiO2/Ti3C2/MnFe2O4 magnetic photocatalyst with dual properties, enabling (i) improved photocatalytic degradation with PMS activation under simulated solar light and (ii) magnetic separation after the degradation process in an external magnetic field was developed and applied for the efficient photodegradation pharmaceutically active compounds (PhACs) frequently present in wastewater and surface waters worldwide. MXene...
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Comparison between methods for determining the effective vertical yield stress of intermediate fine-grained soils
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