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SZACOWANIE ZAWARTOŚCI BENZO(a)PIRENU W PYLE ZAWIESZONYM PM10 W AGLOMERACJI TRÓJMIEJSKIEJ ZA POMOCĄ WIELOWYMIAROWEJ REGRESJI LINIOWEJ=ESTIMATION OF BENZO(A)PYRENE CONTENT IN SUSPENDED DUST PM10 IN TRI-CITY AGGLOMERATION USING MULTIDIMENSIONAL LINEAR REGRESSION
PublicationW pracy przedstawiono próbę oszacowania przy pomocy wielowymiarowej regresji liniowej modelu empirycznego opisującego czynniki wpływające na zawartość B(a)P w pyle zawieszonym PM10 w Aglomeracji Trójmiejskiej w latach 2008-2011. Na przestrzeni tych lat średnioroczne stężenie B(a)P w PM10 wzrosło ponad dwukrotnie i ponad trzykrotnie przewyższa poziom docelowy. Z przeprowadzonych analiz wynika, że główną przyczyną wzrostu stężenia...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublicationThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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Endocrine Disrupting Compounds – Problems and Challenges
PublicationIn this chapter, information about some of the estrogenic compounds and their environmental fate and biological influence can be found. Special attention is paid to the review of the analytical approaches used at the stages of detection and determination of Endocrine Disrupting Compounds (EDCs) in the environmental samples. Also, a brief characterization of both cellular and non-cellular bioassays is presented. The discovery of...
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Excited states of isoxazole molecules studied by electron energy-loss spectroscopy
PublicationElectron energy-loss spectra were measured in isoxazole in the excitation energy range 3.5−10 eV to investigate the valence excited states. Spectra recorded at different scattering conditions enabled the identification of the singlet and triplet states and the determination of their vertical excitation energies. The two lowest energy triplet bands, ππ* 13A' and ππ* 23A' at 4.20 and 5.30 eV, respectively show vibrational progressions....
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Dielectric Spectroscopy Studies and Modelling of Piezoelectric Properties of Multiferroic Ceramics
PublicationCompounds and solid solutions of bismuth ferrite (BiFeO3)—barium titanate (BaTiO3) system are of great scientific and engineering interest as multiferroic and potential high-temperature lead-free piezoelectric materials. In the present paper, the results of research on the synthesis and characterisation of 0.67Bi1.02FeO3–0.33BaTiO3 (67BFBT) ceramics in terms of crystal structure and dielectric and piezoelectric properties are reported....
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Assessment of toxic and endocrine potential of substances migrating from selected toys and baby products
PublicationAnalysis of literature data shows that there is limited information about the harmful biological effects of mixture of compounds from the EDC group that are released from the surface of toys and objects intended for children and infants. One of the tools that can be used to obtain such information is appropriate bioanalytical tests. The aim of this research involved determining whether tests that use living organisms as an active...
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Convex set of quantum states with positive partial transpose analysed by hit and run algorithm
PublicationThe convex set of quantum states of a composite K×K system with positive partial transpose is analysed. A version of the hit and run algorithm is used to generate a sequence of random points covering this set uniformly and an estimation for the convergence speed of the algorithm is derived. For K >3 or K=3 this algorithm works faster than sampling over the entire set of states and verifying whether the partial transpose is positive....
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Studies on the influence of β-cyclodextrin derivatives on the physical stability of famotidine
PublicationThe usage of Fourier transform infrared spectroscopy, near infrared spectroscopy, differential scanning calorimetry and microscopy is presented in this work focused on the exploration of the effect of CD on the physical stability of famotidine (FAM). The most significant information was achieved by analysis of the second derivatives ofnear infrared (NIR) spectra recorded. Changes in the shape of spectra derivatives allow...
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Luminescence properties of Eu3+ and Tb3+ doped silica-based xerogels
PublicationPure SiO2 xerogels and SiO2 xerogels containing SrF2: Eu3+/: Tb3+ crystals were prepared using sol-gel method. Luminescent spectra showed excitation and emission peaks characteristic to Eu3+ and Tb3+ 4f - 4f transitions. ET Tb3+→Eu3+ has been observed. XRD pattern of SiO2 matrix confirmed lack of long range order. Patterns of SiO2-SrF2:Eu3+ and SiO2-SrF2:Tb3+ showed peaks corresponding to SrF2. SEM images have shown agglomerates...
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Novel inorganic xerogels doped with CaWO 4 :xDy: Synthesis, characterization and luminescence properties
PublicationA series of novel phosphors based on silica xerogel doped with CaWO4:xDy(III) with various concentration of dysprosium ion was synthesized over a temperature of 800 C. The thermal analysis, XRD measurement and spectroscopic investigations of these materials are presented in this study. Steady state luminescence, luminescence excitation spectra as well as emission spectra have been measured. Under the ultraviolet light, the prepared...
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Fast Real-Time RDFT- and GDFT-Based Direct Fault Diagnosis of Induction Motor Drive
PublicationThis paper presents the theoretical analysis and experimental verification of a direct fault harmonic identification approach in a converter-fed electric drive for automated diagnosis purposes. On the basis of the analytical model of the proposed real-time direct fault diagnosis, the fault-related harmonic component is calculated using recursive DFT (RDFT) and Goertzel DFT (GDFT), applied instead of the full spectrum calculations...
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Novel Nonlinear High Order Technologies for Damage Diagnosis of Complex Assets
PublicationFor the first time worldwide, innovative techniques, generic non-linear higher-order unnormalized cross-correlations of spectral moduli, for the diagnosis of complex assets, are proposed. The normalization of the proposed techniques is based on the absolute central moments, that have been proposed and widely investigated in mathematical works. The existing higher-order, crosscovariances of complex spectral components are not sufficiently...
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Redox State Sensitive Spectroscopy of the Model Compound [(H-dcbpy)(2)Ru-II(NCS)(2)](2-) (dcbpy=2,2 '-Bipyridine-4,4 '-dicarboxylato)
PublicationThe charge transfer reaction mechanism in a ruthenium polypyridine model complex with isothiocyanato ligands, i.e., [(H-dcbpy)(2)Ru(NCS)(2)](2-) 2Bu(4)N(+) (Ru2H) (dcbpy = 2,2'-bipyridine-4,4'-dicarboxylato), has been investigated by combining UV-vis absorption, resonance Raman spectroscopy, and electrochemical methods. Understanding the photophysics of light-harvesting complexes of this class is an indispensable prerequisite to...
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Lanthanide ions (Eu3+, Er3+, Pr3+) as luminescence and charge carrier centers in Sr2TiO4
PublicationA series of strontium orthotitanate (Sr2TiO4) samples doped with 2% of a mole of europium, praseodymium, and erbium were obtained using the solid-state synthesis method. The X-ray diffraction (XRD) technique confirms the phase purity of all samples and the lack of the influence of dopants at a given concentration on the structure of materials. The optical properties indicate, in the case of Sr2TiO4:Eu3+, two independent emission...
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Comparative assessment of two extraction procedures for determination of bioactive compounds in some berries used for daily food consumption
PublicationTwo extractions with methanol and water were used to determine the antioxidant and binding properties of some berries as a supplement to food. Fluorometry, FTIR spectra and radical scavenging assays were used for characterisation of bioactive compounds (polyphenols, flavonoids, flavanols and tannins) and the levels of their antioxidant activities (AAs). The contents of bioactive compounds and AAs in water and methanol polyphenol...
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Neutral Dissociation of Pyridine Evoked by Irradiation of Ionized Atomic and Molecular Hydrogen Beams
PublicationThe interactions of ions with molecules and the determination of their dissociation patterns are challenging endeavors of fundamental importance for theoretical and experimental science. In particular, the investigations on bond-breaking and new bond-forming processes triggered by the ionic impact may shed light on the stellar wind interaction with interstellar media, ionic beam irradiations of the living cells, ion-track nanotechnology,...
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Crystal and electronic structures of Ni(II) silanethiolates containing flexible diamine ligands
PublicationFive nickel(II) complexes containing aliphatic diamines and tri-tert-butoxysilanethiolate ligand have been synthesized for the purpose of studying their structural, spectral (IR, UV–Vis, HF EPR) and thermal properties. Complexes (1)–(5) have been prepared in high yield by reactions of [Ni{SSi(OtBu)3}2(NH3)(H2O)] with 1.3-propanediamine (L1), 1,6-hexanediamine (L2), or 1,7-heptanediamine (L3). The X-ray structures were determined...
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LED Light Sources and Their Complex Set-Up for Visually and Biologically Effective Illumination for Ornamental Indoor Plants
PublicationOrnamental plants are often used in indoor environments as part of biophilic design to improve the health and wellbeing of occupants, and to support sustainable, green architecture. Unfortunately, many plants do not thrive and need to be continuously replaced, which is economically unsustainable. The wavelengths and spectrum ratio of commonly used light sources such as light emitting diode (LED), and the lack of an appropriate...
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On the electronic structure of methyl butyrate and methyl valerate
PublicationWe present novel results of the analysis of the electronic structure of two aliphatic esters: methyl butyrate and methyl valerate. High-resolution photoabsorption spectra were collected and analyzed over the energy range 4.0–10.8 eV and showed for both the molecules not only a clear band of the HOMO to LUMO transition, but also vibronic structure associated with the first Rydberg-valence transition. Photoelectron spectra recorded...
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Effects of artificial lighting on bioactivity of sweet red pepper (Capsicum annuum L.)
PublicationRecent studies have shown that artificial light effectively promotes the growth and development of red peppers when light spectra, intensities and duration are controlled. Cited reports deal mostly with studies involving with the growth stages of pepper. Changes in the biochemical status of plants were not studied. Therefore, this study focuses on the changes in the content of some bioactive compounds (polyphenols, flavonoids,...
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Photoelectron-photoabsorption (PePa) database
PublicationIn this paper a recently launched Photoelectron-Photoabsorption Database is presented. The database was developed in order to gather all the photoelectron and photoabsorption spectra measured by various collaborators over the years as well as to ease the access to the data to the potential users. In the paper the main features of the database were described and its outline explained.
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High-Power Jamming Attack Mitigation Techniques in Spectrally-Spatially Flexible Optical Networks
PublicationThis work presents efficient connection provisioning techniques mitigating high-power jamming attacks in spectrally-spatially flexible optical networks (SS-FONs) utilizing multicore fibers. High-power jamming attacks are modeled based on their impact on the lightpaths’ quality of transmission (QoT) through inter-core crosstalk. Based on a desired threshold on a lightpath’s QoT, the modulation format used, the length of the path,...
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Biophotonic low-coherence sensors with boron-doped diamond thin layer
PublicationLow-coherence sensors using Fabry-Perot interferometers are finding new applications in biophotonic sensing, especially due to the rapid technological advances in the development of new materials. In this paper we discuss the possibility of using boron-doped nanodiamond layers to protect mirror in a Fabry-Perot interferometer. A low-coherence sensor using Fabry-Perot interferometer with a boron-doped nanodiamond (B-NCD) thin protective...
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Methods of trend removal in electrochemical noise data – overview
PublicationIn this paper we shall review popular methods of trend removal from electrochemical noise time records. The basic principles of operation of the six most popular methods are explained. The proposed methods are: high - pass filtering, Moving Average Removal, polynomial detrending, wavelet detrending, Empirical Mode Decomposition and Variational Mode Decomposition. Estimation of trend removal quality...
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Evaluation of the photoprotective effect of β-cyclodextrin on the emission of volatile degradation products of ranitidine
PublicationThe process of the photo-excitation of ranitidine hydrochloride (RAN) in a solid state makes visible changes to its colour and generates an unpleasant odour. The purpose of the present study was to observe the protective effects of ˇ-cyclodextrin (CD) complexation as well as the effect of the mixture of two stoichiometries 1:1 and 1:2 (RAN:CD, IC) on the photostability of samples in a solid state. Samples of inclusion complexes...
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Evaluation of the photoprotective effect of ˇ-cyclodextrin on the emission of volatile degradation products of ranitidine
PublicationThe process of the photo-excitation of ranitidine hydrochloride (RAN) in a solid state makes visible changes to its colour and generates an unpleasant odour. The purpose of the present study was to observe the protective effects of ˇ-cyclodextrin (CD) complexation as well as the effect of the mixture of two stoichiometries 1:1 and 1:2 (RAN:CD, IC) on the photostability of samples in a solid state. Sam- ples of inclusion complexes...
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Applications of Raman spectroscopy for detection of selected substances in tissues
PublicationThis dissertation explores the applications of Raman spectroscopy for biological tissue analysis. Basics of Raman and surface-enhanced Raman spectroscopy (SERS) are described, along with an analysis of the literature on biodetection and non-invasive blood analysis with emphasis on glucose detection. Instrumentation for Raman measurements is described. The sources of noise and interferences occurring in biological tissue measurements...
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A spline-based FE approach to modelling of high frequency dynamics of 1-D structures
PublicationIn this paper a computational methodology leading to the development of a new class of FEs, based on the application of continuous and smooth approximation polynomials, being splines, has been presented. Application of the splines as appropriately defined piecewise elemental shape functions led the authors to the formulation of a new approach for FEM, named as spFEM, where contrary to the well-known NURBS approach, the boundaries...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Behavioral state classification in epileptic brain using intracranial electrophysiology
PublicationOBJECTIVE: Automated behavioral state classification can benefit next generation implantable epilepsy devices. In this study we explored the feasibility of automated awake (AW) and slow wave sleep (SWS) classification using wide bandwidth intracranial EEG (iEEG) in patients undergoing evaluation for epilepsy surgery. APPROACH: Data from seven patients (age [Formula: see text], 4 women) who underwent intracranial depth electrode...
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Positron Scattering and Annihilation in Organic Molecules
PublicationIn this paper, we address the problem of connecting positron lifetimes in liquids with collision cross sections in gases. We present the analyses of annihilation lifetime spectra of positrons in the liquid benzene, c-hexane, n-hexane, methanol and ethanol and calculations of scattering cross sections of positrons with benzene and c-hexane in the gas phase.
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Two kinds of oxygen vacancies in lithium titaniate doped with copper as detected by EPR
PublicationLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure and morphology are characterized by X-ray Diffraction (XRD), X-ray Photoemission Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). Spin Hamiltonian parameters describing Zeeman and hyperfine interaction for 63Cu2+ ions were obtained from EPR spectra simulations. The spectra...
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INFLUENCE OF BISMUTH CONTENT ON COMPLEX IMMITTANCE CHARACTERISTICS OF PRESSURELESS SINTERED BiNbO4 CERAMICS
PublicationGoal of the present research was to study immittance properties of BiNbO4 ceramics fabricated by the solid state reaction route followed by pressureless sintering. Four sets of samples were examined, namely the one fabricated from the stoichiometric mixture of oxides, viz. Bi2O3 and Nb2O5 as well as the ones with an excess of 3%, 5% and 10% by mole of Bi2O3. The immittance properties were studied by impedance spectroscopy. Measurements...
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Properties of Thermally Dewetted Thin Au Films on ITO-Coated Glass for Biosensing Applications
PublicationNoble metal nanostructures are object of great interest due to their unique optical and electronic properties exploited in nanotechnology, medicine, biochemistry, and surface-enhanced spectroscopies. In this work, the Au nanoparticle (NP) structures for application in biosensing obtained by dewetting are investigated in dependence on their preparation conditions. Structures are produced from thin Au films (5–30 nm) sputtered onto...
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Konzetrationslöschung durch Energieübertragung bei der Lumineszenz von Lösungen
PublicationThe absorption spectra and quantum yields of the fluorescence of rhodamine 6 G are investigated in two different water-glycerol mixtures as a function of the rhodamine concentration. The observed concentration quenching is attributed to the formation of rhodamine dimers and the decrease in quantum yield is compared with theoretical concepts about concentration quenching by energy transfer to the dimers.
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Reliable underwater communication system for shallow coastal waters
PublicationThis paper presents a reliable and robust low data rate spread spectrum approach which is implemented in the acoustic underwater communication system for shallow coastal waters. It shows operation assumptions of spread spectrum techniques based on the wellknown Shannon equation. It describes two methods of spread spectrum: frequency hopping spread spectrum and direct sequence spread spectrum; their block diagram and their characteristics...
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Is It Right To Predict Cutting Forces On The Basis Of Wood Density?
PublicationSeveral properties of wood can be correlated to wood density. It is widely accepted that the cutting power requirements are following this general assumption. Therefore, according to classic literature sources available for determination of the cutting power for both band- and circular- sawing machines, the cutting power requirements (and/or cutting forces) are computed as a function of the wood specific gravity SG. It was shown...
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f-γ current fluctations in organic semiconductors: evidence for percolation
PublicationSzumowe spektra o nachyleniu f-γ były obserwowane w organicznych półprzewodnikach i interpretowane przy pomocy hoppingowego modelu szumów. S(f) spektra wykazywały max w regionie wypełniania się pułapek nośników ładunku. W tym artykule dyskutujemy warunki określające poszczególne rodzaje SCLC transportu. Model perkolacyjny został użyty do opisu przejść pomiędzy fazą izolatora a przewodnika, gdzie małe zmiany przełożonego napięcia...
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Hydration of N-Hydroxyurea from Ab Initio Molecular Dynamics Simulations
PublicationN-Hydroxyurea (HU) is an important chemotherapeutic agent used as a first-line treatment in conditions such as sickle cell disease and β-thalassemia, among others. To date, its properties as a hydrated molecule in the blood plasma or cytoplasm are dramatically understudied, although they may be crucial to the binding of HU to the radical catalytic site of ribonucleotide reductase, its molecular target. The purpose of this work...
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A Systematic Review for Establishing Relevant Environmental Parameters for Urban Lighting: Translating Research into Practice
PublicationThe application of lighting technologies developed in the 20th century has increased the brightness and changed the spectral composition of nocturnal night-time habitats and night skies across urban, peri-urban, rural, and pristine landscapes, and subsequently, researchers have observed the disturbance of biological rhythms of flora and fauna. To reduce these impacts, it is essential to translate relevant knowledge about the potential...
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In situ spectroelectrochemical and theoretical study on the oxidation of a 4H-imidazole-ruthenium dye adsorbed on nanocrystalline TiO2thin film electrodes
PublicationTerpyridine 4H-imidazole-ruthenium(ii) complexes are considered promising candidates for use as sensitizers in dye sensitized solar cells (DSSCs) by displaying broad absorption in the visible range, where the dominant absorption features are due to metal-to-ligand charge transfer (MLCT) transitions. The ruthenium(iii) intermediates resulting from photoinduced MLCT transitions are essential intermediates in the photoredox-cycle...
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Tuning of the plasmon resonance location in Au nanostructures coated with a ultrathin film of Al2O3 – Optical measurements and FDTD simulations
PublicationThe Au nanostructures have been coated with an ultra-thin films of amorphous aluminium oxide. Optical absorption spectra show the influence of the thickness of Al2O3 on plasmon resonance wavelength. The observed red-shift of the resonance location with the increase of the thickness of the Al2O3 film, can be explained by the change in the dielectric function of this film. It allows control of the optical spectra of the coated particles....
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The influence of dynamic load changes on temporary impedance in hydrogen fuel cells, selection and validation of the electrical equivalent circuit
PublicationTo achieve optimal performance of a fuel cell, a reliable monitoring and diagnostic method is required. The currently utilized methods give limited information or they are impossible to use under dynamic working conditions. To obtain comprehensive information about the fuel cell operation we utilized novel dynamic electrochemical impedance spectroscopy. Impedance measurements in dynamic mode were performed on a hydrogen fuel cell,...
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Damage detection in a bolted lap joint using guided waves
PublicationThe paper presents the experimental investigation of guided waves application to the condition assessment of prestressed bolted connections and a concept of new quantitative indicator. The main goal of the research was the analysis of the influence of the contact conditions changes to the characteristics of a propagating disturbance. The experimental tests were carried out for a single bolted lap joint. The excitation and acquisition...
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Potential Energy Curves of Diatomic Alkali Molecules Datasets
PublicationThe datasets described in this article contain potential energy curves for several diatomic systems. The data was obtained via high-performance computing using MOLPRO, a system of ab initio programs for advanced molecular electronic structure calculations. The datasets allow to model bond lengths, energy levels, spectra and time-evolution of molecular dimers for which the data are presented.
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3D seafloor reconstruction using data from side scan and synthetic aperture sonar
PublicationSide scan and synthetic aperture sonars are widely used imaging systems in the underwater environment. They are relatively cheap and easy to deploy, in comparison with more powerful sensors, like multibeam echosounders. Although side scan and synthetic aperture sonars does not provide seafloor bathymetry directly, their records are finally related to seafloor images. Moreover, the analysis of such images performed by human eye...
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Możliwość oszacowania niezawodności silników o zapłonie samoczynnym z zastosowaniem teorii procesów semi-Markowa oraz podejmowania decyzji eksploatacyjnych z uwzględnieniem wiarygodności diagnozy o stanie technicznym tego rodzaju silników spalinowych = Possibility of estimating the reliability of diesel engines by applying the theory of semi-Markov processes and making operational decisions by considering reliability of diagnosis on technical state of this sort of combustion engines/
PublicationThe paper presents semi-Markov models of technical state transitions for diesel engines, useful for determining reliability of the engines. A possibility of application of a three-state model with a simplified matrix function, or even a two-state model, to determine reliability of the engines, has been described herein on examples of known from literature semi-Markov models, for the case when appropriate diagnosing systems (SDG)...
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Anionic states of C6Cl6 probed in electron transfer experiments
PublicationThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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Linear and nonlinear impedance in iron oxide glasses containing alkaline ions and alkali free
PublicationThe linear and nonlinear impedance spectra of oxide glasses were measured in the frequency range of 1 mHz to 1 MHz and in the temperature range of 153K to 483K. Two groups of iron oxide glass samples were prepared, the first one containing alkaline ions and the second one without alkali. In the first group, compositions of glasses were as follows: (in %mol) 50% SiO2 , 25% PbO, 15% Fe2O3 and 15% one of alkaline oxides: Na2O, K2O,...
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Soft X-ray Induced Production of Neutral Fragments in High-Rydberg States at the O 1s Ionization Threshold of the Water Molecule
PublicationDissociation of water molecules after soft X-ray absorption can yield neutral fragments in high-Rydberg (HR) states. We have studied the production of such fragments by field ionization and ion time-of-flight (TOF) spectrometry. Neutral HR fragments are created at all resonances below the O 1s ionization potential (IP) and particularly within 1 eV above the O 1s IP. The latter effect is due to the recapture of the O 1s photoelectrons...