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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublikacjaThe 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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Ab Initio Study of the Electronic Spectrum of 7-Hydroxyquinoline
PublikacjaThe electronic spectrum of 7-hydroxyquinoline has been studied by using ab initio Multi-State Multi-Reference Møller-Plesset Second-Order Perturbation Theory (MSMRMP2). The energy range up to 6.5 eV is taken into consideration. The lowest π–π* transition is calculated to have an energy of 3.65 eV in good agreement with experimental data. Several other π–π* transitions are predicted to have excitation energies of 4.93, 5.20, 5.47,...
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On adaptive covariance and spectrum estimation of locally stationary multivariate processes
PublikacjaWhen estimating the correlation/spectral structure of a locally stationary process, one has to make two important decisions. First, one should choose the so-called estimation bandwidth, inversely proportional to the effective width of the local analysis window, in the way that complies with the degree of signal nonstationarity. Too small bandwidth may result in an excessive estimation bias, while too large bandwidth may cause excessive...
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Detection and Direction-of-Arrival Estimation of Weak Spread Spectrum Signals Received with Antenna Array
PublikacjaThis paper presents a method for the joint detection and direction of arrival (DOA) estimation of low probability of detection (LPD) signals. The proposed approach is based on using the antenna array to receive spread-spectrum signals hidden below the noise floor. Array processing exploits the spatial correlation between phase-delayed copies of the signal and allows us to evaluate the parameter used to make the decision about the...
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Computer Support of Analysis of Optical Spectra Measurements
PublikacjaThe verification of measurement errors has a big impact on the assessment of the accuracy of conducted measurements and obtained results. In many cases, computer simulation results are compared with measurement results in order to evaluate measurement errors. The purpose of our research was to check the accuracy of measurements made with a Fabry–Perot interferometer working in the transmission mode. In the measurement setup, a...
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Enhanced method of DS-CDMA low level singnals detection
PublikacjaThe following article comprises three main parts. The first one generally describes two methods of low level signals detection which are in the interest of this study. The signal spectrum averaging technique is shown as well as the method exploiting averaged spectrum of the signal raised to the power of 2n (nN). Additionally, this section briefly presents proposed enhancements and modifications of these two solutions, which allow...
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Dynamic analysis of the impact of the wind spectrum according to the theory of Davenport for lightweight structures of the roof in sports hall Czyzyna in Cracow.
PublikacjaThe main aim of this analysis is to characterize numerical simulations connected with modeling dynamic influence of wind on the lightweight structures of the roof in sports hall – “Czyżyna”. This hall is built in Cracow. The article also involves the proposals of the solutions connected with dynamic influence of the wind – Davenport’s method has been used. These proposals have not been taken into consideration at the detailed engineering...
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Water-mediated influence of a crowded environment on internal vibrations of a protein molecule
PublikacjaThe influence of crowding on the protein inner dynamics is examined by putting a single protein molecule close to one or two neighboring protein molecules. The presence of additional molecules influences the amplitudes of protein fluctuations. Also, a weak dynamical coupling of collective velocities of surface atoms of proteins separated by a layer of water is detected. The possible mechanisms of these phenomena are described....
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On joint order and bandwidth selection for identification of nonstationary autoregressive processes
PublikacjaWhen identifying a nonstationary autoregressive process, e.g. for the purpose of signal prediction or parametric spectrum estimation, two important decisions must be taken. First, one should choose the appropriate order of the autoregressive model, i.e., the number of autoregressive coefficients that will be estimated. Second, if identification is carried out using the local estimation technique, such as the localized version of...
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The accuracy of pulse rate estimation from the sequence of face images
PublikacjaThe goal of this paper is to analyze the accuracy of pulse rate estimation from the sequence of face images. Simulated and real signals were used to evaluate two pulse rate estimators; one for frequency domain and the second one for time domain using the autocorrelation function. The results show that the mean difference between the reference measurements and estimated pulse rate values are about 2bpm. In the analysis of short...
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Non-Gaussian Resistance Fluctuations in Gold-Nanoparticle-Based Gas Sensors: An Appraisal of Different Evaluation Techniques
PublikacjaVolatile organic compounds, such as formaldehyde, can be used as biomarkers in human exhaled breath in order to non-invasively detect various diseases, and the same compounds are of much interest also in the context of environmental monitoring and protection. Here, we report on a recently-developed gas sensor, based on surface-functionalized gold nanoparticles, which is able to generate voltage noise with a distinctly non-Gaussian...
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Enhancing capabilities of Atomic Force Microscopy by tip motion harmonics analysis
PublikacjaMotion of a tip used in an atomic force microscope can be described by the Lennard-Jones potential, approximated by the van der Waals force in a long-range interaction. Here we present a general framework of approximation of the tip motion by adding three terms of Taylor series what results in non-zero harmonics in an output signal. We have worked out a measurement system which allows recording of an excitation tip signal and its...
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Performance of the Direct Sequence Spread Spectrum Underwater Acoustic Communication System with Differential Detection in Strong Multipath Propagation Conditions
PublikacjaThe underwater acoustic communication (UAC) operating in very shallow-water should ensure reliable transmission in conditions of strong multipath propagation, significantly disturbing the received signal. One of the techniques to achieve this goal is the direct sequence spread spectrum (DSSS) technique, which consists in binary phase shift keying (BPSK) according to a pseudo-random spreading sequence. This paper describes the DSSS...
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Selection of C-Type Filters for Reactive Power Compensation and Filtration of Higher Harmonics Injected into the Transmission System by Arc Furnaces
PublikacjaThis article presents a method for selecting the elements of a C-type filter working with a conventional LC-type filter for compensating reactive power and filtering out higher harmonics generated by arc furnaces and ladle furnaces. The study was conducted in a steel mill supplied by a 110 kV transmission system, where higher harmonic currents and nonlinear loads were measured. A series of computer simulations were performed under...
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Morphology, Photocatalytic and Antimicrobial Properties of TiO2 Modified with Mono- and Bimetallic Copper, Platinum and Silver Nanoparticles
PublikacjaNoble metal nanoparticles (NMNPs) enhanced TiO2 response and extended its activity under visible light. Photocatalytic activity of TiO2 modified with noble metal nanoparticles strongly depends on the physicochemical properties of NMNPs. Among others, the differences in the size of NMNPs seems to be one of the most important factors. In this view, the effect of the metal’s nanoparticles size, type and amount on TiO2 photocatalytic...
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Cu( II ) ions removal from wastewater using starch nanoparticles ( SNPs ): An Eco‐sustainable approach
PublikacjaThe complex structured starch particles were reduced to the nanoscale size range through hydrolysis utilizing low concentration acid assisted with ultrasound irradiation. The synthesized starch nanoparticles (SNPs) were characterized by TEM, FTIR, and XRD techniques. The synthesized SNPs possessed surface activated entities, as many cationic functional groups were confirmed through the FTIR spectrum. Also, these SNPs were effectively...
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Child-Robot Interaction Studies During COVID-19 Pandemic
PublikacjaThe coronavirus disease (COVID-19) pandemic affected our lives deeply, just like everyone else, the children also suffered from the restrictions due to COVID-19 affecting their education and social interactions with others, being restricted from play areas and schools for a long time. Although social robots provide a promising solution to support children in their education, healthcare, and social interaction with others, the precautions...
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On autoregressive spectrum estimation using the model averaging technique
PublikacjaThe problem of estimating spectral density of a nonstationary process satisfying local stationarity conditions is considered. The proposed solution is a two step procedure based on local autoregressive (AR) modeling. In the first step Bayesian-like averaging of AR models, differing in order, is performed. The main contribution of the paper is development of a new final-prediction-error-like statistic, which can be used to select...
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Configurations of H 3 + (H2)n clusters and their energies
PublikacjaThe H-3(+) ion plays an important role in low temperature astrophysical and laboratory plasmas. It is considered as the initiator of many ion-molecule chemistries. Also its clusters with H-2 are quite interesting. We study configurations of the H-3(+)(H-2)(n) clusters for n = 1 up to n = 12 as a simple test system. Total energies for these structures, with zero point vibration corrections have been calculated. Stabilization energies...
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Computer support of analysis optical spectra measurements
PublikacjaVerification of measurement errors has a big impact on assessment of accuracy of conducted measurements and obtained results. In many cases computer simulation results are compared with measurement results in order to evaluate measurement errors. The purpose of our research was to check the accuracy of measurements made with Fabry-Perot interferometer working in the transmission mode. In measurement setup, a 1310 nm superluminescent...
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Spectrum-based modal parameters identification with Particle Swarm Optimization
PublikacjaThe paper presents the new method of the natural frequencies and damping identification based on the Artificial Intelligence (AI) Particle Swarm Optimization (PSO) algorithm. The identification is performed in the frequency domain. The algorithm performs two PSO-based steps and introduces some modifications in order to achieve quick convergence and low estimation error of the identified parameters’ values for multi-mode systems....
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β-cyclodextrin-containing polymer based on renewable cellulose resources for effective removal of ionic and non-ionic toxic organic pollutants from water
PublikacjaA novel, bio-derived cyclodextrin-based trifunctional adsorbent has been successfully synthesized for efficient, rapid and simultaneous removal of a broad-spectrum of toxic ionic (anionic and cationic dyes) and non-ionic organic pollutants from water. The composition, morphology and the presence of functional groups in the obtained sorption material were characterized by elemental analysis, XRD, SEM, and FTIR spectroscopy. The...
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Ionic liquids for nano- and microstructures preparation. Part 1: Properties and multifunctional role
PublikacjaIonic liquids (ILs) are a broad group of organic salts of varying structure and properties, used in energy conversion and storage, chemical analysis, separation processes, as well as in the preparation of particles in nano- and microscale. In material engineering, ionic liquids are applied to synthesize mainly metal nanoparticles and 3D semiconductor microparticles. They could generally serve as a structuring agent or as a reaction...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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PREDICTION OF SHIP MOTIONS IN IRREGULAR WAVES BASED ON RESPONSE AMPLITUDE OPERATORS EVALUATED EXPERIMENTALLY IN NOISE WAVES
PublikacjaThe most common methods for predicting ship roll motions in a specified sea state are direct measurements of motions in a representative irregular wave realisation (time domain) or calculations of motions from response amplitude operators (RAOs) in the frequency domain. The result of the first method is valid only for the tested sea state, whilst the second method is more flexible but less accurate. RAO-based predictions are calculated...
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Nano-particle doped hydroxyapatite material evaluation using Spectroscopic Polarization Sensitive Optical Coherence Tomography
PublikacjaBio-ceramics such as hydroxyapatite (HAp) are widely used materials in medical applications, especially as an interface between implants and living tissues. There are many ways of creating structures from HAp like electrochemical assisted deposition, biomimetic, electrophoresis, pulsed laser deposition or sol-gel processing. Our research is based on analyzing the parameters of the sol-gel method for creating thin layers of HAp....
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Density functional theory-based simulations of sum frequency generation spectra involving methyl stretching vibrations: effect of the molecular model on the deduced molecular orientation and comparison with an analytical approach
PublikacjaThe knowledge of the first hyperpolarizability tensor elements of molecular groups is crucial for a quantitative interpretation of the sum frequency generation (SFG) activity of thin organic films at interfaces. Here, the SFG response of the terminal methyl group of a dodecanethiol (DDT) monolayer has been interpreted on the basis of calculations performed at the density functional theory (DFT) level of approximation. In particular,...
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Molecular level interpretation of excess infrared spectroscopy
PublikacjaInfrared (IR) spectroscopy is an invaluable tool in studying intermolecular interactions in solvent mixtures. The deviation of the IR spectrum of a mixture from the spectra of its pure components is a sensitive measure of the non-ideality of solutions and the modulation of intermolecular interactions introduced by mutual influence of the components. Excess IR spectroscopy, based on the established notion of excess thermodynamic...
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Spectrum Sensing Based on Hybrid Spectrum Handoff in Cognitive Radio Networks
PublikacjaThe rapid advancement of wireless communication combined with insufficient spectrum exploitation opens the door for the expansion of novel wireless services. Cognitive radio network (CRN) technology makes it possible to periodically access the open spectrum bands, which in turn improves the effectiveness of CRNs. Spectrum sensing (SS), which allows unauthorized users to locate open spectrum bands, plays a fundamental part in CRNs....
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Reliable underwater communication system for shallow coastal waters
PublikacjaThis 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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Efficiency of IEEE 802.15.4a UWB Impulse Radio Spectrum Shaping
PublikacjaThis paper presents results of impulse radio signal spectrum shaping efficiency investigations. Basic parameters of IEEE 802.15.4a UWB signal and outline of proposed spectrum shaping methods are briefly described. The main part of the paper presents influence of signal and algorithms parameters on the results of spectrum shaping.
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Application of IR UWB Spectrum Shaping to IEEE 802.15.4a Standard
PublikacjaCoexistence of existing narrowband systems and new ultra wideband devices in the same frequency range requires using some interference mitigation techniques, for example based on spectrum shaping. This paper presents efficiency of impulse radio spectrum shaping methods, applied to IEEE 802.15.4a UWB alternate physical layer signals. Basic parameters of 802.15.4a signal structure and outline of proposed spectrum shaping methods...
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New method of IEEE 802.15.4a UWB Impulse Radio Spectrum Shaping
PublikacjaThis paper presents a new technique of IEEE 802.15.4a ultra-wideband signal spectrum control, based on changes in sequences of transmitted pulses with very short duration time. Basic parameters of UWB signal and outline of proposed spectrum shaping methods are briefly described. The main part of the paper presents influence of signal and algorithms parameters on the results of spectrum shaping.
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Comparison of modelling and measurement results of spectra emitted by a programmable lamp
PublikacjaNowadays artificial light with an optimized spectrum is used in many different applications. For instance, it is widely used in museums and exhibitions to illuminate the art. Moreover, such light stimulates the growth of plants, or can be applied in industry and healthcare. To achieve the best results for each application, the adjusting of a dedicated spectrum is required, which is a complicated task. The ongoing research is focused...
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Impedance Spectra of RC Model as a Result of Testing Pulse Excitation Measurement Method Dataset
PublikacjaThe dataset titled Impedance spectra of RC model as a result of testing pulse excitation measurement method contains the impedance spectrum of an exemplary test RC model obtained using pulse excitation. The dataset allows presentation of the accuracy of the impedance spectroscopy measuring instrument, which uses the pulse excitation method to shorten the time of the whole spectrum acquisition.
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Damaged plasticity model - seismic analysis of structure of the Petronas Twin Towers (Kuala Lumpur) in Malaysia
PublikacjaThe article presents numerical simulations for the modelling of seismic impact on the structure of Petronas Twin Towers (Kuala Lumpur) in Malaysia with application of two methods. The Response Spectrum method, in which a spectrum of the structure's responses to an earthquake's impact is generated and the Acceletogram (BETA) method, in which we generate dynamic load in the form of a diagram of the connection between acceleration...
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IEEE 802.15.4a Impulse Radio Spectrum Shaping by Changes in Pulse Sequence
PublikacjaThis paper presents one of possible techniques of IEEE 802.15.4a ultra-wideband signal spectrum control, based on changes in sequences of transmitted pulses with very short duration time. This technique can reduce probability of mutual interferences between new ultra-wideband and existing narrowband devices, which may be helpful in further studies on allowing UWB transmission in wider range of spectrum in theEuropean Union.
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Multimedia System for Environmental Noise Monitoring. [Multimedialny System Monitorowania Hałasu Środowiskowego]
PublikacjaIntroductionNumerous reports relating to noise threats in Poland indicate that they occur commonly. The noise has an enormous impact on the health and life quality of the human beings. Noise pollution in Poland is greater than in others UE countries, moreover it has been increased recently. Taking into account 2002/49/WE directive related to the control and assessment of environmental noise a necessity of monitoring these threats...
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Low-coherence sensors with nanolayers for biomedical sensing
PublikacjaIn this paper, we describe the fiber optic low-coherence sensors using thin film. We investigated their metrological parameters. Presented sensors were made with the use of standard telecommunication single mode optical fiber (SMF28). Different materials were applied to obtain thick layers, such as boron doped diamond, silver and gold. The thickness of layers used in the experiments ranged from 100 nm to 300 nm. Measurements were...
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Isobutyl acetate: electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of isobutyl acetate, C6H12O2, is presented here and was measured over the energy range 4.3–10.8 eV (290–115 nm). Valence and Rydberg transitions with their associated vibronic series have been observed in the photoabsorption spectrum and are assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. The measured...
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Electronic state spectroscopy by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy and ab initio calculations of ethyl acetate
PublikacjaThe high-resolution vacuum ultraviolet photoabsorption spectrum of ethyl acetate, C4H8O2, is presented over the energy range 4.5−10.7 eV (275.5−116.0 nm). Valence and Rydberg transitions and their associated vibronic series observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies and oscillator strengths. Also, the photoabsorption cross sections...
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Knowledge supply chain system: a conceptual model.
PublikacjaPrzedstawiono podstawy teoretyczne koncepcyjnego modelu platformy wspomagającej szerokie spectrum problemów zarządzania wiedzą.
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Improving the accuracy of bearing in active sonar with cylindrical array using spectrum estimation.
PublikacjaThe articles presents a method for improving the accuracy of bearing in multibeam sonar with a cylindrical array. Based on a known spatial spectrum estimation technique, the method has been successfully used in linear array systems. Its accuracy of bearing is satisfactory and ensures a relatively low computational effort. The article discusses certain simplifications and assumptions to adapt the spatial spectrum estimation technique...
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Valence and ionic lowest-lying electronic states of ethyl formate as studied by high-resolution vacuum ultraviolet photoabsorption, He(I) photoelectron spectroscopy, and ab initio calculations
PublikacjaThe highest resolution vacuum ultraviolet photoabsorption spectrum of ethyl formate, C2H5OCHO, yet reported is presented over the wavelength range 115.0–275.5 nm (10.75–4.5 eV) revealing several new spectral features. Valence and Rydberg transitions and their associated vibronic series, observed in the photoabsorption spectrum, have been assigned in accordance with new ab initio calculations of the vertical excitation energies...
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Investigation on accelerated impedance spectrum measurement method with multisine signal stimulation
PublikacjaThe paper presents an investigation on the accelerated impedance spectrum measurement method, oriented at parameter identification of technical objects modelled by a linear equivalent circuit, e.g. anticorrosion coatings.The method is based on multisine signal stimulation of an object and response analysis by triangle window filterbanks.It has several advantages, as compared with conventional point-by-point spectrum measurement....
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Cable-stayed cantilever structures as an expat of unique application in the construction of a building located in seismic area – an author’s project of multifunctional building in Lisbon, Portugal
PublikacjaThe article presents numerical simulations for the modelling of seismic impact on the structure of unique cantilever cablestayed structure with application of two methods. The Response Spectrum method, in which a spectrum of the structure's responses to an earthquake's impact is generated and the Accelerogram method, in which we generate dynamic load in the form of a diagram of the connection between acceleration and time for...
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Two examples of Quantum Dynamical Semigroups
PublikacjaThe Hamiltonians of the considered bi-partite systems are of the form $$ H_{S,R} = H_S /times 1_R + Q_{S} /times M_R + 1_S /times H_R $$ Subindex $S$ corresponds to the observed system and $R$ to the reservoir (the enviroment of $S$). Two classes of systems are distinguished: the discrete-continuous...
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Laboratory Stand for Wideband Analysis Radiocommunication Signals
PublikacjaA laboratory stand for wideband analysis radiocommunication signals is presented in the paper. The stand is designed for signals acquisition in wide spectrum and research a field of digital signal processing. Procedures used for simultaneous acquiring many frequency channels in selected wide band are described. The method of detection of direct sequence spread spectrum signals (DS SS) which power spectral density is lower than...
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Laboratory stand for wideband analysis radiocommunication signals
PublikacjaA laboratory stand for wideband analysis radiocommunication signals is presented in the paper. The stand is designed for signals acquisition in wide spectrum and research a field of digital signal processing. Procedures used for simultaneous acquiring many frequency channels in selected wide band are described. The method of detection of direct sequence spread spectrum signals (DS SS) which power spectral density is lower than...
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The influence of small amount of substances present in tissue on the optical spectrum of immunosuppressive drug
PublikacjaIn this paper, we describe how commonly present in tissue substances - sodium chloride and glucose - affect the optical spectrum of an immunosuppressive drug (Cyclaid® by Apotex). Prepared samples were investigated using the spectrophotometer in the spectrum range from 250 nm to 1100 nm. The maximum wavelength shift calculated on the basis of measurement results is not bigger than the measurement wavelength step. So, it can be...