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CURRENT PHARMACEUTICAL DESIGN
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Current Analytical Chemistry
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FEM modelling of stress and strain distribution in weld joints of steel sandwich panels
PublikacjaThe development of laser welding technology has enabled the mass production of thin-walled structures, including steel sandwich panels. The technology of joining plating panels with stiffeners by welding allows us to create joints with a specific geometry and material properties. In comparison with other types of joints, laser welds are characterized by their specific behaviour under cyclic load and, as a consequence, a different...
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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56
PublikacjaSingle crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations...
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Synteza układu sterowania statkiem morskim dynamicznie pozycjonowanym w warunkach niepewności
PublikacjaNiniejsza monografia obejmuje zagadnienia związane z syntezą układu dynamicznego pozycjonowania statku w środowisku morskim z zastosowaniem wybranych nieliniowych metod sterowania. W ramach pracy autorka rozważała struktury sterowania z zastosowaniem wektorowej adaptacyjnej metody backstep oraz metod jej pokrewnych, takich jak regulatory MSS (ang. multiple surface sliding), DSC (ang. dynamic surface control), NB (ang. neural backstepping)....
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Fine-Tuning the Photocatalytic Activity of the Anatase {1 0 1} Facet through Dopant-Controlled Reduction of the Spontaneously Present Donor State Density
PublikacjaThe present study highlights the importance of the net density of charge carriers at the ground state on photocatalytic activity of the faceted particles, which can be seen as a highly underexplored problem. To investigate it in detail, we have systematically doped {1 0 1} enclosed anatase nanoparticles with Gd3+ ions to manipulate the charge carrier concentration. Furthermore, control experiments using an analogical Nb5+ doped...
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Numerical investigation on distribution characteristics of oxidation air in a lime slurry desulfurization system with rotary jet agitators
PublikacjaRotary jet agitator is an effective device for mixing, dispersing, dissolving, and suspending dispersed phases in liquid, and is particularly advantageous to the homogenization of oxygen-enriched air within the lime slurry desulfurization system. The distribution of oxygen-enriched air in agitators is vital for the process of gypsum crystallization and the homogeneous and sufficient oxygen-enriched air can promote the formation...
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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An optimised placement of the hard quality sensors for a robust monitoring of the chlorine concentration in drinking water distribution systems
PublikacjaThe problem of an optimised placement of the hard quality sensors in drinking water distribution systemsunder several water demand scenarios for a robust monitoring of the chlorine concentration is formulatedin this paper. The optimality is understood as achieving a desired trade off between the sensors and theirmaintenance costs and the accuracy of estimation of the chlorine concentration. The contribution of thiswork is a comprehensive...
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Force transfer and stress distribution in short cantilever deep beams loaded throughout the depth with a various reinforcement
PublikacjaDeep beams used as the main reinforced concrete structural elements which taking over the load and stiffening construction are often found in high-rise buildings. The architecture of these buildings is sometimes sophisticated and varied, arouse the admiration of the majority of recipients, and thus causing an engineering challenge to correctly design the structural system and force transfer. In such structures is important to shape...
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Numerical modeling of PFAS movement through the vadose zone: Influence of plant water uptake and soil organic carbon distribution
PublikacjaIn this study, we investigated the effects of soil organic carbon (SOC) distribution and water uptake by plant roots on PFAS movement in the vadose zone with a deep groundwater table under temperate, humid climate conditions. Two series of numerical simulations were performed with the HYDRUS computer code, representing the leaching of historical PFOS contamination and the infiltration of water contaminated with PFOA, respectively. We...
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Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublikacjaWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
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Sea surface temperature distribution during upwelling along the Polish Baltic coast
PublikacjaAmong over 150 maps of sea surface temperature in the Polish Baltic coastal region derived from satellite data during the warm period of the year (April-October) in 2000-2002, 41 cases were noted where its distribution showed characteristic features indicating the occurrence of coastal upwelling. The fundamental parameters of range, probability of occurrence and temperature modification caused by water from deeper sea layers...
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Influence of the Shear Cap Size and Stiffness on the Distribution of Shear Forces in Flat Slabs
PublikacjaThe scope of this paper is to investigate analytically and numerically the influence of shear cap size and stiffness on the distribution of shear forces in flat slabs in a slab–column-connections-reinforced concrete structure. The effect of support (shear cap) stiffness on the calculation of the length of the shear control perimeter according to the available methods is presented. Based on the analysis, the authors indicate in...
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The role of Herzberg-Teller effects on the resonance Raman spectrum of trans-porphycene investigated by time dependent density functional theory.
PublikacjaThe S1 excited state properties as well as the associated absorption and resonance Raman (RR) spectra of trans-porphycene are investigated by means of time dependent density functional theory calculations. The relative magnitude of the Franck-Condon (FC) contribution and of the Herzberg-Teller (HT) effects is evaluated for both the absorption and RR intensities. The accuracy of the calculated spectra is assessed by employing different...
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3D Machine Vision System for Inspection of Contact Strips in Railway Vehicle Current Collectors
PublikacjaConstruction and technical condition of current collectors is crucial to reliability and safety of railway transportation. According to the Technical Specifications for Interoperability railway vehicles in the European Union should be equipped with carbon contact strips. Excessive wear or defects of contact strips degrade the capability of undisturbed power transmission, cause faster wear of contact wire, and can even result in...
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Modular power converter with superconducting magnetic energy storage for electric power distribution system — Analysis and simulation
PublikacjaThis paper describes selected issues concerning realization of energy storage system (ESS) designed to operate in power distribution system. This paper presents a modular approach of 300 kVA power converter operating with superconducting magnetic energy storage (SMES), which gives high dynamics together with high power and suitable capability for instantaneous energy storage. Analysis and simulation studies of selected power converter...
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Influence of steel brackets supporting crane runway girders structure on the stress distribution in the brackets
PublikacjaThe paper presents a numerical analysis of steel brackets supporting a double-span crane runway girders. The purpose of the study was to assess the new structural solution based on the stress distribution in the brackets. In order to simplify the connection, the bottom flange of the crane runway girder is based directly on the upper flange of the bracket. As a result, the support reaction is no longer applied in the plane of the...
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Monitoring of Chlorine Concentration in Drinking Water Distribution Systems Using an Interval Estimator
PublikacjaThis paper describes the design of an interval observer for the estimation of unmeasured quality state variables in drinking water distribution systems. The estimator utilizes a set bounded model of uncertainty to produce robust interval bounds on the estimated state variables of the water quality. The bounds are generated by solving two differential equations. Hence the numerical efficiency is sufficient for on-line monitoring...
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Optimised Allocation of Hard Quality Sensors for Robust Monitoring of Quality in Drinking Water Distribution Systems
PublikacjaA problem of optimised placement of the hard quality sensors in Drinking Water Distribution Systems for robust quality monitoring is formulated. Two numerical algorithms to solve the problem are derived. The optimality is meant as achieving a desired trade off between the sensor capital and maintenance costs and resulting robust estimation accuracy of the monitoring algorithm. The robust estimation algorithm recently developed...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Density, sound velocity, viscosity, and refractive index of new morpholinium ionic liquids with amino acid-based anions: Effect of temperature, alkyl chain length, and anion
PublikacjaIn this work, room temperature synthesis of twenty new ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 4, 6, 8) cation and N-acetyl-L-amino acid anions (L-alaninate, L-valinate, L-leucinate, L-isoleucinate) was described. The synthesized ILs were characterized by various spectroscopic techniques and high-resolution mass spectrometry. Furthermore, density (ρ), sound velocity (v), viscosity (η)...
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Error analysis of calculating average d-q current components using Regular Sampling and Park transformation in FOC drives
PublikacjaIn electric drives using voltage source inverters, motor currents contain ripple component resulting from pulse-width modulated (PWM) voltage. The frequency range of the ripples is much higher than the bandwidth of current control. Therefore the control is performed on the basis of a fundamental current component, i.e. average value with the averaging time being the PWM period. In majority of cases the average current is measured...
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Simulation Studies of Control Systems for Doubly Fed Induction Generator Supplied by the Current Source Converter
PublikacjaThe control system for a Doubly Fed Induction Generator (DFIG) supplied by a grid-connected Current Source Converter (CSC) is presented in this paper. Nonlinear transformation of DFIG model to the multi-scalar form is proposed. The nonlinear control strategy of active and reactive power of DFIG is realized by feedback linearization. In the proposed control scheme, the DFIG model and CSI parameters are included. Two Proportional-Integral...
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RCDs Tripping in the Range from DC to AC 50 kHz for Slowly Rising Residual Current
PublikacjaThe wide use of power electronic converters means that in many low-voltage systems earth fault currents containing components from DC to AC of various frequencies have to be taken into account. Due to the tendency to increase the modulation frequency in converters, components of higher frequencies may be in the order of several tens of kilohertz. Therefore, it is very important to verify the behavior of devices for protection against...
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Permeability of sandy soils estimated from particle size distribution and field measurements
PublikacjaAccurate estimation of soil permeability is crucial in many geotechnical applications. Empirical and theoretical equations based on soil particle size distribution (PSD) offer a fast and cheap way for preliminary estimation of permeability in granular soils, however the results obtained from various formulas available in the literature often show significant discrepancies. While several comparative studies on this topic have been...
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Environmental fate and global distribution of polychlorinated biphenyls
PublikacjaArtykuł o charakterze przeglądowym. Działy obejmują globalne rozmieszczenie oraz los środowiskowy analitów z grupy polichlorowanych bifenyli (PCB). Autorzy szczególny nacisk położyli na omówienie kwestii losu środowiskowego polichlorowanych bifenyli, a więc procesów: biodegradacji, transformacji, adsorpcji do materii organicznej, a także bioakumulacji, biokoncentracji i biomagnifikacji.
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Temperature distribution in laser-clad multi-layers
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Fish size distribution from acoustic data
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Temperature distribution of supercapacitors prepared by various technologies
PublikacjaSupercapacitors, also known by different names such as electrostatic double-layer capacitors (EDLCs) or ultra-capacitors, are electrical storage devices still in development. These devices require fast and reliable methods of assessing their state-of-health. Thermographic imaging is a method which can be applied with this aim due to its popularity, and the high negative impact of overheating on a supercapacitor’s parameters. Moreover,...
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Model of pressure distribution in vortex flow controls
PublikacjaThe paper is devoted to the vortex valve. Existing devices are described by CFD-methods, or by means of simple empirical relations. A rational method of the considered object design is proposed, on the base of the input and dissipation energy balance., what gives a simple algebraic equation. Conformity between calcul;ated and measured parameters of the vortex valve allows for acceptation of the proposed concept.
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Temperature distribution in laser-clad multi-layers
PublikacjaW pracy przedstawiono porownanie rezultatów numerycznej symulacji rozkładu temperatur w warstwach nakładanych laserowo z wynikami pomiarów doświadczalnych. Otrzymano bardzo dobrą zgodność wyników co pozwala wnioskować, że przedstawiony model numeryczny może służyć jako efektywne narzędzie wstępnego doboru parametrów procesu laserowego nakładania warstw.
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Distribution of heat generated by a local heat source
PublikacjaW pracy przedstawiono analizę rozpływu ciepła wygenerowanego przez lokalne źródło umieszczone w płycie, po której przepływa warstwa wody.
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Normal stress distribution in built‑up cold‑formed column in relation to interconnecting bolt spacing
PublikacjaIn order to increase a stiffness of cold-formed steel (CFS) elements it is practised to built-up the cross-section. In the analysed case, a main element is strengthened by adding extra chord in contact partially along the column. This additional chord acts as a longitudinal stiffener connected with the main section by series of bolts. Authors check whether rules applied over the years, for hot-rolled elements, can be indiscriminately...
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Multi-objective optimization of water quality, pumps operation, and storage sizing of water distribution systems
PublikacjaA multi-objective methodology utilizing the Strength Pareto Evolutionary Algorithm (SPEA2) linked to EPANET for trading-off pumping costs, water quality, and tanks sizing of water distribution systems is developed and demonstrated. The model integrates variable speed pumps for modeling the pumps operation, two water quality objectives (one based on chlorine disinfectant concentrations and one on water age), and tanks sizing cost...
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Hybrid stepless distribution transformer with four-quadrant AC/DC/AC converter at low voltage side - simulation tests
PublikacjaThe article presents the work of the stepless hybrid distribution transformer (HT), as an alternative to the so far applied Automatic Voltage Regulator (AVR) solutions, used to control the voltage in the power system in terms of the fundamental harmonic. The HT is a combination of a conventional distribution transformer and an AC/DC/AC converter connected in series with the transformers secondary winding. In the work the basic...
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Comparison of induction motor bearing diagnostic test results through vibration and stator current measurement
PublikacjaThe paper discusses results of tests performed by authors, related to the angine bearings diagnostic using vibration and stator current measurements. The paper contains the description of an automatic measurement system, developed for measurement of those harmonics and processing that to obtain bearing diagnostic information. System was tested on objects with intentionally made defects in bearings, results of this test was also...
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The Effects of Cross-Link Density and Chemical Exchange on Magnetization Transfer in Polyacrylamide Gels
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The Application of Kernel Density Estimation for Aided the Process of Locating Sources of Voltage Fluctuations
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Evaluation of cardiac muscle microvessel density in children diagnosed with cyanotic heart defects
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Surface area investigation of materials with transition layers of continuously changing electron density
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Isotropic s -wave superconductivity in the noncentrosymmetric charge density wave superconductor SrPt2As2
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Affine continuous cellular automata solving the fixed-length density classification problem
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Optimizing control by robustly feasible model predictive control and application to drinking water distribution systems
PublikacjaThe paper considers optimizing Model Predictive Control (MPC) for nonlinear plants with output constraints under uncertainties. Although the MPC technology can handle the constraints in the model by solving constraint model based optimization task, satisfying the plant output constraints under the model uncertainty still remains a challenge. The paper proposes Robustly Feasible MPC (RFMPC), which achieves feasibility of the outputs...
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Measurements of Dispersed Phase Velocity in Two-Phase Flows in Pipelines Using Gamma-Absorption Technique and Phase of the Cross-Spectral Density Function
PublikacjaThis paper concerns the application of the gamma radiation absorption method in the measurements of dispersed phase velocity in two-phase flows: liquid–gas flow in a horizontal pipe- line and liquid–solid particles in a vertical pipe. Radiometric sets containing two linear 241Am gamma radiation sources and two NaI(Tl) scintillation detectors were used in the research. Due to the stochastic nature of the signals obtained from the...
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Pertussis: History of the Disease and Current Prevention Failure
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Low-frequency current noise in electrochromic devices
PublikacjaObserwowano szumy typu 1/f w elemencie wykazującym zjawisko elektrochromizmu - zmiany swoich parametrów optycznych (przezroczystości) pod wpływem przyłożonego napięcia. Element składał się z porowatej warstwy nanocząstek WO3 oraz tlenku Ni-V. Obserwowano gęstość widmową mocy prądu szumów, która zalezała liniowo od kwadratu prądu stałego I płynącego przez element. Stwierdzono, że intensywne przełączanie elementu między trybem przezroczystym...
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Production and Properties of Starch Citrates—Current Research
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CURRENT SITUATION ON THE POLAND REAL ESTATE MARKET
PublikacjaIn recent years the polish real estate market has been characterised by a significant increase in supply and demand. This was facilitated by a number of macroeconomic factors. In recent years, housing has been commissioned as 30 years ago. Therefore, the depth analysis issue of the causes and consequences for the Polish economy of these trends is now relevant. Among the reasons are significant economic growth, low interest rates...
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Renewable and Sustainable Energy: Current State and Prospects
PublikacjaThe last two decades of the twentieth century represented a period of above-average, systematic growth of formal and informal interdependencies between economies of different countries and between world markets. The intensity, magnitude, and diversity of these interdependencies have never been recorded before in economic history, and the market transformations taking place have been referred to in the literature as the process...