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Molecular hydrogen solvated in water – A computational study
PublikacjaThe aqueous hydrogen molecule is studied with molecular dynamics simulations at ambient temperature and pressure conditions, using a newly developed flexible and polarizable H2 molecule model. The design and implementation of this model, compatible with an existing flexible and polarizable force field for water, is presented in detail. The structure of the hydration layer suggests that first-shell water molecules accommodate the...
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Parallelization of large vector similarity computations in a hybrid CPU+GPU environment
PublikacjaThe paper presents design, implementation and tuning of a hybrid parallel OpenMP+CUDA code for computation of similarity between pairs of a large number of multidimensional vectors. The problem has a wide range of applications, and consequently its optimization is of high importance, especially on currently widespread hybrid CPU+GPU systems targeted in the paper. The following are presented and tested for computation of all vector...
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Accurate Computation of IGBT Junction Temperature in PLECS
PublikacjaIn the article, a new method to improve the accuracy of the insulated-gate bipolar transistor (IGBT) junction temperature computations in the piecewise linear electrical circuit simulation (PLECS) software is proposed and described in detail. This method allows computing the IGBT junction temperature using a nonlinear compact thermal model of this device in PLECS. In the method, a nonlinear compact thermal model of the IGBT is...
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Homotopy invariance of the Conley index and local Morse homology in Hilbert spaces
PublikacjaIn this paper we introduce a new compactness condition — Property-(C) — for flows in (not necessary locally compact) metric spaces. For such flows a Conley type theory can be developed. For example (regular) index pairs always exist for Property-(C) flows and a Conley index can be defined. An important class of flows satisfying the this compactness condition are LS-flows. We apply E-cohomology to index pairs of LS-flows and obtain...
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Analisys of the failure of fixator used in bone surgery
PublikacjaThe Gamma nail (fixator) made of stainless steel, which has broken in the body, was subjected to examination. The fixator was removed from the patient femur. The fracture occurred in the area of the nail hole after two months' stay in the organism. The research included chemical composition, hardness of the Gamma nail material and the observation and analysis of the type of fracture. The research showed the fatigue failure of the...
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Estimation of electrode contact in capacitive ECG measurement
PublikacjaIn the paper a method of electrode’s contact estimation in capacitive electrocardiogram (CECG) is presented. Proposed solution allows estimation of contact quality for each individual electrode. This enables construction of multi-electrode CECG systems, where electrode pairs can be selected on the basis of the individual electrode contact quality.
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Bonding in Phosphanylphosphinidene Complexes of Transition Metals and their Correlation with Structures, 31 P NMR Spectra, and Reactivities
PublikacjaTheoretical studies of the bonding interactions and most important properties are carried out for isolable phosphanylphosphinidene complexes of transition metals. Three main types of phosphanylphosphinidene complexes are distinguished, based on the way in which the phosphanylphosphinidene ligand bonds to the metal center: (i) side-on complexes of platinum, where the R2Pβ–Pα ligand mimics structural features of free singlet phosphanylphosphinidenes...
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Attractors of dissipative homeomorphisms of the infinite surface homeomorphic to a punctured sphere
PublikacjaA class of dissipative orientation preserving homeomorphisms of the infinite annulus,pairs of pants, or generally any infinite surface homeomorphic to a punctured sphere isconsidered. We prove that in some isotopy classes the local behavior of such homeomor-phisms at a fixed point, namely the existence of so-called inverse saddle, impacts thetopology of the attractor — it cannot be arcwise connected
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublikacjaThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Electromodulation of photoluminescence in vacuum-evaporated films of bathocuproine
PublikacjaElectric field-modulated photoluminescence (EML) was measured in vacuum-evaporated films of bathocuproine (BCP), electron-transporting material commonly used in organic light-emitting diodes (OLEDs). The external electric field of 106 V/cm strength decreases long-wavelength photoluminescence (PL) up to 10% but the same effect on short-wavelength PL is above one order of magnitude smaller. The distinctive difference between the...
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Monomeric Triphosphinoboranes: Intramolecular Lewis Acid–Base Interactions between Boron and Phosphorus Atoms
PublikacjaHerein, we present the synthesis of the first fully characterized monomeric triphosphinoboranes. The simple reaction of boron tribromide with three equivalents of bulky lithium phosphide tBu2PLi yielded triphosphinoborane (tBu2P)3B. Triphosphinoboranes with diversified phosphanyl substituents were obtained via a two-step reaction, in which isolable bromodiphosphinoborane (tBu2P)2BBr is first formed and then reacts with one equivalent...
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Wpływ parametrów strugi paliwa wtryskiwanego do cylindra silnika okrętowego na początkową fazę rozpylania
PublikacjaPrzedmiotem rozprawy jest analiza procesu wtrysku oleju napędowego do cylindra silnika okrętowego z zapłonem samoczynnym i bezpośrednim wtryskiem paliwa. Analiza tego zagadnienia została przeprowadzona w aspekcie wpływu makro parametrów strugi na początkową fazę rozpylania oleju napędowego. Celem niniejszej pracy jest określenie wpływu współczynnika L/D (długość otworu/średnica) otworu wylotowego wtryskiwacza na zmianę charakterystyki...
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High load capacity spur gears with conchoidal path of contact
PublikacjaThe present study is devoted to investigation of spur gears with a conchoidal path of contact and a convex-convex contact between teeth. The load capacity and energy efficiency were evaluated using both theoretical and experimental approaches. The theoretical analysis showed that the conchoidal gear pairs are 5–21% stronger in terms of contact stress and have similar energy efficiency as compared to the involute gear pairs of the...
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Chemistry of the phosphinophosphinidene tBu2P-P, a novel ă-electron ligand.Appl. Organomet. Chem. [online]**2003 vol. 17 [6 December 2002] s. 28-35, 10 rys. bibliogr. 53 poz. Dostępny w Internecie www.interscience.wiley.com Chemia fosfinofosfinidenu tBu2P-P, nowego liganda ă-elektronowego.
PublikacjaFosfanofosfiniden tBu2P-P w kompleksach z metalami przejściowymi jest z re-guły kompleksowany na sposób hapta-2 i przyjmuje geometrię 1,1-ditertbutyl-difosfenu. W reakcjach z cyklicznymi olefinami związek ten wykazuje właści-wości elektrofilowego singletowego karbenu.
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Ekspertyza techniczna posadzki budynku Wydziału Chemii Uniwersytety Gdańskiego położonego przy ul. Wita Stwosza w Gdańsku
PublikacjaPrzedmiotem opracowania jest posadzka z jastrychu wykonana w częściach komunikacyjnych – hole i korytarze, budynku nowej siedziby Wydziału Chemii Uniwersytetu Gdańskiego. Ekspertyza ma na celu określenie stanu technicznego posadzki, zarówno warstwy wykończeniowej jak i podbudowy, ocenę powstałych uszkodzeń oraz określenie przyczyny ich powstania. Ocenie podlegają założenia projektowe, technologia wykonania, jakość wykorzystanych...
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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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Novel composite of Zn/Ti-layered double hydroxide coupled with MXene for the efficient photocatalytic degradation of pharmaceuticals
PublikacjaIn the present study, a hybrid photocatalyst of Zn/Ti layered double hydroxide (LDH) coupled with MXene – Ti3C2 was synthesized for the first time and applied in photocatalytic degradation of acetaminophen and ibuprofen, two commonly present in the natural environment and prone to accumulate in the aquatic ecosystem pharmaceuticals. The effect of MXene content (0.5 wt%, 2.5 wt%, and 5 wt%) on the photocatalytic activity of LDH/MXene...
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Separability Assessment of Selected Types of Vehicle-Associated Noise
PublikacjaMusic Information Retrieval (MIR) area as well as development of speech and environmental information recognition techniques brought various tools in-tended for recognizing low-level features of acoustic signals based on a set of calculated parameters. In this study, the MIRtoolbox MATLAB tool, designed for music parameter extraction, is used to obtain a vector of parameters to check whether they are suitable for separation of...
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Is Digital Government Advancing Sustainable Governance? A Study of OECD/EU Countries
PublikacjaInternational bodies and numerous authors advocate a key role for Digital Government (DG) in improving public governance and achieving other policy outcomes. Today, a particularly relevant outcome is advancing Sustainable Governance (SG), i.e., the capacity to steer and coordinate public action towards sustainable development. This article performs an empirical study of the relationship between DG and SG using data about 41 OECD/EU...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublikacjaThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Study of ultraviolet-visible fluorescence emission following resonant Auger decay of the 2p-1nl core-excited states of argon atoms
PublikacjaWe have studied the excitation and relaxation of Ar+ ions populated in resonant Auger decay from the Ar 2p−1nl core-excited states by using ultraviolet-visible fluorescence spectroscopy and photon-photon delayed coincidence technique. Fluorescence emission yields were measured in the photon energy range of 240-–255 eV for the 3s23p4(1D)5s(2D) → 3s23p4(1D)4p(2F) (393 nm) and 3s23p4(1D)4d(2F) → 3s23p4(1D)4p(2F) (335 nm) transitions...
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Regenerative Drug Discovery Using Ear Pinna Punch Wound Model in Mice
PublikacjaThe ear pinna is a complex tissue consisting of the dermis, cartilage, muscles, vessels, and nerves. Ear pinna healing is a model of regeneration in mammals. In some mammals, including rabbits, punch wounds in the ear pinna close spontaneously; in common-use laboratory mice, they remain for life. Agents inducing ear pinna healing are potential regenerative drugs. We tested the effects of selected bioactive agents on 2 mm ear pinna...
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Experimental determination of H2 mass stopping powers for low-energy electrons
PublikacjaWe present experimental mass stopping powers of electrons in gaseous H2 obtained with an electron time- of-flight spectrometer, for the incident electron energy range of 11 to 25 eV. In our procedure, the average energy loss is derived from conversion of the measured electron time-of-flight spectra into equivalent electron energy-loss spectra. Our present results are compared with the only available experimental measurement and...
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Experimental generation of complex noisy photonic entanglement
PublikacjaWe present an experimental scheme based on spontaneous parametric down-conversion to produce multiple-photon pairs in maximally entangled polarization states using an arrangement of two type-I nonlinear crystals. By introducing correlated polarization noise in the paths of the generated photons we prepare mixed-entangled states whose properties illustrate fundamental results obtained recently in quantum information theory, in particular those...
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Temperature-controlled nanomosaics of AuCu bimetallic structure towards smart light management
PublikacjaGold–copper nanostructures are promising in solar-driven processes because of their optical, photocatalytic and photoelectrochemical properties, especially those which result from the synergy between the two metals. Increasing interest in their internal structure, such as the composition or distribution of the Au and Cu as well as the size and shape of the nanoparticles, have developed to define their physicochemical properties. In...
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DNA restriction analysis as a supportive tool in mechanistic studies carried out by 32P-postlabelling
PublikacjaNumerous antitumor and carcinogenic compounds are able to modify DNA by forming covalent bonds with its constituents, while some anticarcinogenic compounds are known to prevent such a modification. All these processes are of vital biological import_ance, though deeper inside into factors influencing formation of DNA adducts is difficult due to the low level of their occurrence. 32P-Postlabelling approach ensures very sensitive...
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Covalent DNA modification by products of myrosinase catalysed glucosinolate degradation in cell-free system
PublikacjaThe bioactive phytochemicals found in Brassica vegetables belonging to glucosinolates (GLS) and especially the products of their degradation isothiocyanates (ITC) and indoles are regarded as the most promising cancer chemopreventive compounds. These secondary metabolites constitute defence system repelling or preventing the development of agrophages attacking brassica plants. The antibiological properties of these compounds suggest...
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Non-Destructive Assessment of Masonry Pillars using Ultrasonic Tomography
PublikacjaIn this paper, a condition assessment of masonry pillars is presented. Non-destructive tests were performed on an intact pillar as well as three pillars with internal inclusions in the form of a hole, a steel bar grouted by gypsum mortar, and a steel bar grouted by cement mortar. The inspection utilized ultrasonic stress waves and the reconstruction of the velocity distribution was performed by means of computed tomography. The...
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Continuum wave functions for estimating the electric dipole moment: Calculation based on a multiconfiguration Dirac-Hartree-Fock approximation
PublikacjaThe multiconfiguration Dirac-Hartree-Fock method is employed to calculate the continuum electron wave functions, which are then used to estimate their contribution to the atomic electric dipole moment (EDM) of 129Xe. The EDM arises from (P,T)-odd electron-nucleon tensor-pseudotensor and pseudoscalar-scalar interactions, the nuclear Schiff moment, the interaction of the electron electric dipole moment with nuclear magnetic moments,...
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Model organizacji ruchu na sieci kolejowej z uwzględnieniem rekuperacji energii
PublikacjaNa wstępie przeanalizowano aktualny stan wiedzy z zakresu metod wykorzystywania energii z rekuperacji oraz istniejących modeli optymalizujących ich efektywność. Na tej podstawie za główny cel pracy wyznaczono opracowanie metody modyfikacji kolejowego rozkładu jazdy, która doprowadzi do zwiększenia efektywności wykorzystania energii pochodzącej z rekuperacji. W związku z powyższym postawiono tezę, że możliwe jest zwiększenie efektywności...
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Dissociation of 2-oxopropanoic acid by low energy electrons
PublikacjaElectron attachment to molecular target can lead to a variety of negative fragment ions. We experimentally probe the main dissociative electron attachment (DEA) channels in 2-oxopropanoic acid (CH3 - CO - COOH) - an important trace component in the Earth's atmosphere. In our studies we utilise nearly mono-energetic electrons at electron energies from 0 eV up to 15 eV.
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Previous Opinions is All You Need - Legal Information Retrieval System
PublikacjaWe present a system for retrieving the most relevant legal opinions to a given legal case or question. To this end, we checked several state-of-the-art neural language models. As a training and testing data, we use tens of thousands of legal cases as question-opinion pairs. Text data has been subjected to advanced pre-processing adapted to the specifics of the legal domain. We empirically chose the BERT-based HerBERT model to perform...
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The comparison of cytotoxic and genotoxic activities of glucosinolates, isothiocyanates, and indoles
PublikacjaChemopreventive properties of Brassica vegetables are attributed mainly to their characteristic compounds—glucosinolates (GLs) and their main hydrolysis products—isothiocyanates (ITCs) and indoles. In this study, we compared antiproliferative activity (MTT test in HT29 cells) and genotoxic effects (comet assay in HT29 cells and restriction analysis in a cell-free system) of three GLs (sinigrin (SIN), glucotropaeolin (GTL), and...
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Cavitation based cleaner technologies for biodiesel production and processing of hydrocarbon streams: A perspective on key fundamentals, missing process data and economic feasibility – A review
PublikacjaThe present review emphasizes the role of hydrodynamic cavitation (HC) and acoustic cavitation in clean and green technologies for selected fuels (of hydrocarbon origins such as gasoline, naphtha, diesel, heavy oil, and crude oil) processing applications including biodiesel production. Herein, the role of cavitation reactors, their geometrical parameters, physicochemical properties of liquid media, liquid oxidants, catalyst loading,...
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Towards Effective Processing of Large Text Collections
PublikacjaIn the article we describe the approach to parallelimplementation of elementary operations for textual data categorization.In the experiments we evaluate parallel computations ofsimilarity matrices and k-means algorithm. The test datasets havebeen prepared as graphs created from Wikipedia articles relatedwith links. When we create the clustering data packages, wecompute pairs of eigenvectors and eigenvalues for visualizationsof...
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Why is the cubic structure preferred in newly formed ice?
PublikacjaMolecular dynamics was employed to explain the preference for the cubic structure in newly formed crystals of ice. The results showed that in supercooled liquid water the molecules connected by hydrogen bonds are more likely to adopt relative orientations similar to the ones characteristic for cubic ice. The observed preference for certain relative orientations of molecules in the hydrogen-bonded pairs results in the higher probability...
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Review of Diameter protocol implementations for realization of communication in NGN networks
PublikacjaIn the paper Diameter protocol as well as its applications in the context of Next Generation Network (NGN) are described. Diameter message content and Attribute-Value Pairs (AVPs) concept are presented. Critical review of open source Diameter implementations is carried out. The performed analysis takes into consideration programming language, availability, support and documentation aspects. Basing on the review project fulfilling...
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Natural Deep Eutectic Solvents as Agents for Improving Solubility, Stability and Delivery of Curcumin
PublikacjaPurpose Study on curcumin dissolved in natural deep eutectic solvents (NADES) was aimed at exploiting their beneficial properties as drug carriers. Methods The concentration of dissolved curcumin in NADES was measured. Simulated gastrointestinal fluids were used to determine the concentration of curcumin and quantum chemistry computations were performed for clarifying the origin of curcumin solubility enhancement in NADES. Results NADES...
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Benchmarking Performance of a Hybrid Intel Xeon/Xeon Phi System for Parallel Computation of Similarity Measures Between Large Vectors
PublikacjaThe paper deals with parallelization of computing similarity measures between large vectors. Such computations are important components within many applications and consequently are of high importance. Rather than focusing on optimization of the algorithm itself, assuming specific measures, the paper assumes a general scheme for finding similarity measures for all pairs of vectors and investigates optimizations for scalability...
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The reliability of any-hop star networks with respect to failures of communication nodes.
PublikacjaThis paper investigated the reliability of any-hop star networks. The any-hop star topology is used in centralized computer networks. We will assume that the all nodes fail independently, links are failure-free. Following measures of network reliability are assumed: the expected number of nodes, which can communicate with the central node; the expected number of node pairs, which are connected by a path through the central node;...
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Organic pollutants photodegradation increment with use of TiO2 nanotubes decorated with transition metals after pulsed laser treatment
PublikacjaAmong various titanium(IV) oxide (TiO2, titania) structures, 1D nanotubes (TiO2 NTs) produced during the two-electrode anodization process, are extensively utilized in sensors or supercapacitors as well as in photo(electro)catalytic water splitting. However, due to wide bandgap and fast electron-hole recombination additional modifications, mostly concerned on materials surface, are required. According to the recent research, TiO2...
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Effects of Ca2+, Mg2+, Na+, and K+ substitutions on the microstructure and electrical properties of GdCoO3 ceramics
PublikacjaGdCoO3-δ, Gd0.975Na0.025CoO3-δ, Gd0.98K0.02CoO3-δ, Gd0.98Ca0.02CoO3-δ, and GdCo0.99Mg0.01O3-δ ceramics were prepared via a solid-state reaction route. Among the dopants studied, substitution with Ca2+ slightly enhanced the densfication of GdCoO3 ceramics. All the lattice parameters of the doped ceramics were larger than those of pure GdCoO3-δ ceramic (a = 5.223 Å, b = 5.389 Å and c = 7.451 Å), and their cell volumes increased by...
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Artificial Neural Network based fatigue life assessment of riveted joints in AA2024 aluminum alloy plates and optimization of riveted joints parameters
PublikacjaThe objective of this paper is to provide the fatigue life of riveted joints in AA2024 aluminum alloy plates and optimization of riveted joints parameters. At first, the fatigue life of the riveted joints in AA2024 aluminum alloy plates is obtained by experimental tests. Then, an artificial neural network is applied to estimate the fatigue life of riveted lap joints based on the number of lateral and longitudinal holes, punch pressure,...
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Development of the sound field 3D intensity probe based on miniature microphones
PublikacjaThe engineered measuring probe uses three pairs of miniature microphones coupled. The signals from the microphones after an initial amplification are fed to differential circuits. Due to the required symmetry of the circuit it was necessary to select electronic components very carefully. Moreover, additional digital signal processing techniques were applied to avoid amplitude and phase mismatch. The view of the engineered probe...
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Pomiar sił w wantach mostu podwieszonego
PublikacjaW artykule przedstawiono metodę oraz wyniki badań sił w wantach Mostu III Tysiąclecia im. Jana Pawła II w Gdańsku. Do identyfikacji sił wykorzystano trzy metody: wibracyjną; z wykorzystaniem siłownika jednosplotowego (lift-off) oraz pomiaru strzałki ugięcia. Przedstawione wyniki badań dowodzą, że wszystkie metody mogą być z powodzeniem wykorzystywane do identyfikacji rzeczywistej siły w wancie. Każda z metod ma jednak ograniczenia...
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Two-photon double ionization of atoms in attosecond x-ray radiation fields
PublikacjaWe consider two-photon double ionization of helium with 100, 200, and 400 eV excess energy for the two ejected electrons, corresponding to photon energies of 89.5, 139.5, and 239.5 eV, respectively. We focus on the case of ultrashort pulses (two oscillations of the field) and develop an approach to calculate the two-photon transition matrix elements within the lowest order of the time-dependent perturbation theory. One of the...
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Endohedral gallide cluster superconductors and superconductivity in ReGa5
PublikacjaWe present transition metal-embedded (T@Gan) endohedral Ga clusters as a favorable structural motif for superconductivity and develop empirical, molecule-based, electron counting rules that govern the hierarchical architectures that the clusters assume in binary phases. Among the binary T@Gan endohedral cluster systems, Mo8Ga41, Mo6Ga31, Rh2Ga9, and Ir2 Ga9 are all previously known superconductors. The well-known exotic superconductor...
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Evaluation of Wear Resistance of Ti alloys used for elements friction of knee endoprosthesis
PublikacjaThe paper presents research results of resistance to abrasive wear of titanium alloys: Ti6Al4V (commonly used) and Til3Nb13Zr (alloy of new generation) in association with polyethylene (UHMW-PE) predisposed for elements on pair of the knee endoprosthesis. The results were analysed from the point of possibility of an use of new generation titanium alloys as components of such implants. The tests of resistance to abrasive wear of...
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Differentiating patients with obstructive sleep apnea from healthy controls based on heart rate-blood pressure coupling quantified by entropy-based indices
PublikacjaWe introduce an entropy-based classification method for pairs of sequences (ECPS) for quantifying mutual dependencies in heart rate and beat-to-beat blood pressure recordings. The purpose of the method is to build a classifier for data in which each item consists of two intertwined data series taken for each subject. The method is based on ordinal patterns and uses entropy-like indices. Machine learning is used to select a subset...
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A fuzzy logic model for forecasting exchange rates
PublikacjaThis article is devoted to the issue of forecasting exchange rates. The objective of the conducted research is to develop a predictive model with the use of an innovative methodology - fuzzy logic theory - and to evaluate its effectiveness in times of prosperity and during the financial crisis. The model is based on sets of rules written by the author in the form of IF-THEN, where expert knowledge is stored. This model is the result...