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Use of NMR and Fluorescence Spectroscopy as well as Theoretical Conformational Analysis in Conformation-activity Studies of Cyclic Enkephalin Analogues
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Urine composition as a source of information about occupational exposure to chemicals
PublicationIn the article there is presented review of data concerning application of human urine samples to analytical studies conducted in order to gain information on occupational exposure. The parameters characterizing the most commonly used techniques of xenobiotics isolation and preconcentration (organic compounds and metals) from urine samples and techniques of analytes determination in properly prepared extract samples of human urine.
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Hyperfine structure and isotope shifts in 733.2 nm mixed forbidden line of Pb I
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Preface
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Application of the J-matrix method to multichannel scattering
PublicationIn this contribution we describe the multichannel extension to the nonrelativistic J-matrix method, and present differential cross sections for scattering of slow electrons from Argon atoms. Nonrelativistic phase shifts, then the S-matrix and the cross sections have been calculated using newly developed Fortran code, JMATRIX-MULTI.We applied the model Hartree-Fock potential as the scattering potential, which was truncated in the...
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Spatial characterization of H 2: CH 4 dissociation level in microwave ECR plasma source by fibre-optic OES
PublicationSpatially resolved optical emission spectroscopy (SR-OES) was used to investigate microwave activated H2/Ar/CH4 plasma under conditions of the electron cyclotron resonance (ECR). The chemistry and composition of the gas phase were studied using self-designed fibre-optic system with echelle type spectrometer during CVD deposition of polycrystalline diamond. One-dimensional intensity profiles of the main species were collected along...
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Molecular dynamics studies of polyurethane nanocomposite hydrogels
PublicationPolyurethane PEO-based hydrogels have a broad range of biomedical applicability. They are attractive for drug-controlled delivery systems, surgical implants and wound healing dressings. In this study, a PEO based polyurethane hydrogels containing Cloisite R 30B, an organically modified clay mineral, was synthesized. Structure of nanocomposite hydrogels was determined using XRD technique. Its molecular dynamics was studied by means...
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Photoelectron spectroscopy of brominated derivative of pyrimidine: 2-bromopyrimidine
PublicationIn this study the brominated derivative of pyrimidine, 2-bromopyrimidine, was investigated by photoelectron spectroscopy. Outer valence photoelectron spectra recorded at 21.22, 45 and 100 eV photon energy for this compound are presented. The recorded spectra have a higher resolution than that previously reported in the literature. The bromine 3d and 3p edge photoelectron spectra have also been recorded in a photon impact experiment...
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Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV
PublicationSpectroscopic studies of collisions between He+ and He++ ions with H2 gas target have been performed in the 200–600nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1keV (2keV for He++) were determined.
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The 41Σ+ electronic state of LiCs molecule
PublicationThe 41Σ+ state of LiCs molecule is observed experimentally for the first time. The inverted perturbation approach (IPA) method is used to derive the potential energy curve of the state from the measured spectra. The experiment is accompanied by theoretical calculations of adiabatic potentials for excited states in LiCs including 41Σ+, performed with the MOLPRO program package. The irregular shape of the 41Σ+ state potential predicted...
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublicationCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Measurement of complex refractive index of human blood by low-coherence interferometry
PublicationIn this article, the usefulness of the optical technique for measurements of blood complex refractive index has been examined. Measurement of optical properties of human blood is difficult to perform because of its nonuniform nature. However, results of my investigation have shown the usefulness of low-coherencei nterferometry for measurement complex refractive index of human blood. Furthermore, mathematical analysis of spectrum...
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Ordinal pattern statistics for the assessment of heart rate variability
PublicationThe recognition of all main features of a healthy heart rhythm (the so-called sinus rhythm) is still one of the biggest challenges in contemporary cardiology. Recently the interesting physiological phenomenon of heart rate asymmetry has been observed. This phenomenon is related to unbalanced contributions of heart rate decelerations and accelerations to heart rate variability. In this paper we apply methods based on the concept...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Shaping coherence function of sources used in low-coherent measurement techniques
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Coupled nonlinear Schrödinger equations in optic fibers theory
PublicationIn this paper a detailed derivation and numerical solutions of CoupledNonlinear Schr¨odinger Equations for pulses of polarized electromagnetic wavesin cylindrical fibers has been reviewed. Our recent work has been compared withsome previous ones and the advantage of our new approach over other methods hasbeen assessed. The novelty of our approach lies is an attempt to proceed withoutloss of information within the frame of basic...
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Calculation of adiabatic potentials of Li2
PublicationPrezentujemy adiabatyczne krzywe energii potencjalnej jonu cząsteczki litu. Krzywe zostały stabelowane według odległości międzyatomowej: od 2ao do 100ao. Nasze teoretyczne wyniki zostały porównane z wynikami innych autorów oraz z krzywymi potencjałów energii uzyskanymi w wyniku eksperymentów. Wszystkie obliczenia zostały wykonane przy użyciu programu MOLPRO.
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Design and simulation of excitation laser system for in-situ Raman monitoring
PublicationPraca opisuje projekt oraz kontrukcję laserowego pobudzania próbek cienkowarstwowych. Zaprezentowana modelowanie optyczne systemu pobudzania oraz konfigurację prototypu. Układ znajdzie zastosowanie w długoogniskowym spektroskopie ramanowskim pracującym na stanowisku PA CVD.
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Shaping coherence function of sources used in low-coherent measurement techniques
PublicationW niskokoherencyjnych technikach pomiarowych kształt funkcji koherencji wykorzystywanego źródła ma bezpośredni wpływ na parametry metrologiczne układu pomiarowego. Z tego względu, w wielu aplikacjach niezbędne jest użycie metod pozwalających na zmianę kształtu tej funkcji. W artykule przeanalizowano możliwości kształtowania funkcji koherencji, a przedstawione analizy teoretyczne i wyniki symulacji komputerowych wskazują, że kształtowanie...
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coincidence investigation of inelastic electron-atom collisions with magnetic selection of scattering angle - feasibility study
PublicationOpisana została nowa aparatura do badania zderzeń elektronów z atomami metodą koincydencji z wykorzystaniem techniki lokalnego pola magnetycznego. Połączenie obu metod umożliwia wyznaczenie parametrów koincydencji w pełnym kącie rozproszenia. W pracy zaprezentowano pierwsze widma energii straconej oraz widma koincydencji.
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Multiple-scattering and electron-uracil collisions at low energies
PublicationDyskutowany jest związek dwóch znanych metod w teorii rozpraszania elektronów na cząsteczkach : potencjałów zerowego promieniu i metody potencjałów "muffin-tin". Rozwój obu metod pozwala na stworzenie nowej techniki obliczenia parcjalnych faz i przekrojów czynnych w nazwanej teorii. Technika ta ma zastosowanie do zagadnienia dotyczącego układu elektron-uracil.
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Application of organic materials in electronics
PublicationRozwój urządzeń elektronicznych na bazie materiałów organicznych przestawia jedno z najbardziej spektakularnych osiągnięć nauki w XXI wieku. Do produkcji zostały wdrożone urządzenia zbudowane na cienkich warstwach organicznych, i poczynione zostały pierwsze kroki w kierunku rozwoju elektroniki molekularnej. Celem publikacji jest dostarczenie podstawowych informacji dotyczących urządzeń elektronicznych zbudowanych na bazie cienkich...
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Simple adaptive cubic spline interpolation of fluorescence decay functions
PublicationZaproponowano prostą metodę interpolacji funkcji zaniku fluorescencji. W pierwszym kroku interpolowany zanik jest całkowany za pomocą adaptacyjnego algorytmu wykorzystującego kwadratury Newtona-Cotesa. Uzyskiwana w ten spoób siatka wartości czasu jest używana w drugim kroku polegającym na typowej interpolacji za pomocą funkcji sklejanych trzeciego stopnia.
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Determination of local polarization properties of PLZT ceramics by PS-OCT
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Liquid crystalline optical components for application in optical sensing
PublicationW artykule opisano proces wytwarzania pryzmatów Wollastona na bazie roztworu ciekłokrystalicznego ZLI-1957 i płytek falowych na bazie prekursora polimeru ciekłokrystalicznego RMS03-001. Przedstawiono uzyskane parametry optyczne elementów pod kątem ich potencjalnych aplikacji
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Multi-headed chimera states in coupled pendula
PublicationWe discuss the occurrence of the chimera states in the network of coupled, excited by the clock’s mechanisms pendula. We find the patterns of multi-headed chimera states in which pendula clustered in different heads behave differently (oscillate with different frequencies) and create different types of synchronous states (complete or phase synchronization). The mathematical model of the network shows that the observed chimera states...
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Fiber-optic temperature sensor using low-coherence interferometry
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Ellipsometric data analysis used in on-line metal passivation monitoring
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Calculations of electron impact ionization cross section for simple biomolecules: formic and acetic acids
PublicationObliczono przekroje czynne na jednokrotną jonizację kwasu mrówkowego oraz kwasu octowego. Obliczenia przeprowadzono używając formalizmu BEB w zakresie energii od progu na jonizację do 400 eV. Wyniki porównano z dostępnymi danymi doświadczalnymi.
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Elipsometric data analysis used in on-line metal passivation monitoring
PublicationWykorzystano technikę elipsometrii monochromatycznej do opisu on-line warstw tlenkowych, elektroosadzanych na miedzi. Elipsometria jest w stanie dostarczyć informacji odnośnie grubości i współczynników załamania światła układów warstwowych, jednakże wymagane w tym celu jest zbudowanie matematycznego modelu odwzorowującego stałe optyczne układu badanego. W powyższej pracy przedyskutowane zostały różne metody dopasowywania modelu...
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Binary Grating of Subwavelength Silver and Quantum Wires as a Photonic-Plasmonic Lasing Platform With Nanoscale Elements
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Feasibility Study of Three-Phase Modular Converter for Dual-Purpose Application in DC and AC Microgrids
PublicationThe modern concept of a universal converter is intended as a power converter (PC) suitable for application in both dc or ac grids using the same external connectors. This novel family was recently proposed to allow easier integration of renewable energy sources and energy storage systems (ESSs), interfacing with dc/ac grids and/or loads with a minimum redundancy of power switches and passive elements. This kind of solution and...
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EMI attenuation in a DC-DC buck converter using GaN HEMT
PublicationA dc-dc buck converter using gallium nitride (GaN) high electron mobility transistors (HEMT) is experimentally investigated at the discontinuous current mode (DCM) and at the triangular current mode (TCM) operation. The paper objective is to specify the power conversion efficiency and attenuation of common mode (CM) and differential mode (DM) noise voltage, measured at the line impedance stabilization network (LISN) for compared...
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A Measurement-Based Approach for Speed Control of Induction Machines
PublicationThis paper presents an approach to design a measurement-based controller for induction machines. The proposed control approach is motivated by the fact that developing an appropriate mechanical model of such induction machines is a challenging task. Since our proposed control methodology is only on the basis of measured data, the controller design does not require any information about the model of the mechanical part. The control...
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Model-Free Controller Tuning Based on DFT Processing: Application to Induction Motor Drives
PublicationIn this paper, we present a new approach based on discrete Fourier transform (DFT) analysis for controller tuning of the closed-loop system with unknown plant. The DFT analysis is used to process the closed-loop measurements collected online to derive the frequency response of an initial closed-loop system that does not provide a good performance. Based on the closed-loop frequency response data, we propose two methods for tuning PID...
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Feasibility Study of Three-Phase Modular Converter for Dual-Purpose Application in DC and AC Microgrids
PublicationThe modern concept of a universal converter is intended as a power converter suitable for application in both dc or ac grids using the same external connectors. This novel family was recently proposed to allow an easier integration of renewable energy sources and energy storage systems, interfacing with dc/ac grids and/or loads with a minimum redundancy of power switches and passive elements. This kind of solution and applications...
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Modified Inductive Multi-Coil Wireless Power Transfer Approach Based On Z-Source Network
PublicationThis article presents a non-conventional approach to a multi-coil wireless power transfer system based on a Z-source network. The novelty of the approach lies in the use of a Z-source as a voltage source for energy transmission through the wireless power transfer coils. The main advantage is in a reduced number of semiconductors. This paper provides the design approach, simulation and experimental study. Feasibility and possible...
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ZnFe2O4/ZnO nanoparticles obtained by coprecipitation route, XPS and TEM study
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Flooding Extent Mapping for Synthetic Aperture Radar Time Series Using River Gauge Observations
PublicationThe flooding extent area in a river valley is related to river gauge observations such as discharge and water elevations. The higher the water elevations, or discharge, the larger the flooding area. Flooding extent maps are often derived from synthetic aperture radar (SAR) images using thresholding methods. The thresholding methods vary in complexity and number of required parameters. We proposed a simple thresholding method that...
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On the Role of Polarimetric Decomposition and Speckle Filtering Methods for C-Band SAR Wetland Classification Purposes
PublicationPrevious wetlands studies have thoroughly verified the usefulness of data from synthetic aperture radar (SAR) sensors in various acquisition modes. However, the effect of the processing parameters in wetland classification remains poorly explored. In this study, we investigated the influence of speckle filters and decomposition methods with different combinations of filter and decomposition windows sizes on classification accuracy....
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The algorithm of building the hierarchical contextual framework of textual corpora
PublicationThis paper presents an approach for Modeling the Latent Semantic Relations. The approach is based on advantages of two computational approaches: Latent Semantic Analysis and Latent Dirichlet Allocation. The scientific question about the possibility of reducing the influence of these Methods limitation on the Quality of the Latent Semantic Relations Analysis Results is raised. The case study for building the Two-level Hierarchical Contextual...
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Examining Government-Citizen Interactions on Twitter using Visual and Sentiment Analysis
PublicationThe goal of this paper is to propose a methodology comprising a range of visualization techniques to analyze the interactions between government and citizens on the issues of public concern taking place on Twitter, mainly through the official government or ministry accounts. The methodology addresses: 1) the level of government activity in different countries and sectors; 2) the topics that are addressed through such activities;...
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Mercury concentrations in Antarctic zooplankton with a focus on the krill species, Euphausia superba
PublicationThe Antarctic is the most isolated region in the world; nevertheless, it has not avoided the negative impact of human activity, including the inflow of toxic mercury (Hg). Hg deposited in the Antarctic marine environment can be bioavailable and accumulate in the food web, reaching elevated concentrations in high-trophic-level biota, especially if methylated. Zooplankton, together with
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AlP compound and P-doping for promotion of electrocatalytic activity of N-doped carbon derived from metal-organic framework
PublicationWater splitting plays a key role in future fuels, where two processes occur - the hydrogen evolution reaction (HER) and the oxygen evolution reaction (OER). Nitrogen-doped carbon derived from...
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Current status and future success of renewable energy in Pakistan
PublicationMismatch between energy demand and supply from last two decades has been increasing because of the domination of expensive imported oil in energy mix of Pakistan. To import crude oil Government paid US $ 9 billion in 2008–2009 to meet the energy demands...
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Structural and Temporal Topic Models of Feedbacks on Service Quality – A Path to Theory Development?
PublicationThere is growing interest in applying computational methods in analysing large amount of data without sacrificing rigour in Information Systems research. In this paper, we demonstrate how the use of structural and temporal topic modelling can be employed to produce insights of both theoretical and practical importance from the analysis of textual comments on the quality of services in hospitals. As a first step, we revealed the...
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Sensitivity of the Baltic Sea level prediction to spatial model resolution
Publicationhe three-dimensional hydrodynamic model of the Baltic Sea (M3D) and...
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Application and modelling of Shape-Memory Alloys for structural vibration control: State-of-the-art review
PublicationOne of the most essential components of structural design for civil engineers is to build a system that is resistant to environmental conditions such as harsh chemical environments, and catastrophic disasters like earthquakes and hurricanes. Under these circumstances and disturbances, conventional building materials such as steel and concrete may demonstrate inadequate performance in the form of corrosion, deterioration, oxidizing,...