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Search results for: SPECTRAL FACTORIZATION
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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
PublicationThe 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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Cross-Sectoral Inter-Country Linkages under the Belt and Road Initiative: Chinese ICT Services Value Added Inflows to Manufacturing Exports in the New Eurasian Land Bridge Economies
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Thermodynamics and kinetics of amphotericin B self-association in aqueous solution characterized in molecular detail
PublicationAmphotericin B (AmB) is a potent but toxic drug commonly used to treat systemic mycoses. Its efficiency as a therapeutic agent depends on its ability to discriminate between mammalian and fungal cell membranes. The association of AmB monomers in an aqueous environment plays an important role in drug selectivity, as oligomers formed prior to membrane insertion – presumably dimers – are believed to act differently on fungal (ergosterol-rich)...
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A spectroscopic study of the cis/trans-isomers of penta-2,4-dienoic acid attached to gold nanoclusters
PublicationIn this theoretical work, we present a spectroscopic analysis of the cis/trans-isomers of a molecular switch, penta-2,4-dienoic acid, attached to gold clusters of different size (1, 2 and 20 gold atoms). We have simulated 4 different spectroscopic techniques: Infrared spectroscopy, normal Raman scattering, absorption spectra and resonance Raman scattering. We discuss how the position and the conformation of the molecule determine...
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Metody usuwania zakłóceń podczas pomiarów polowych widm Ramana
PublicationW pracy zostały scharakteryzowane źródła zakłóceń występujące podczas pomiarów widm Ramana w warunkach polowych oraz sposoby redukcji ich wpływu na jakość rejestrowanych widm. Zaprezentowano wpływ czasu integracji na jakość rejestrowanych widm w przypadkach, gdy szumy własne spektrometru mają składową typu 1/f, dominującą w zakresie małych częstotliwości. Przedstawiono także wyniki uzyskane podczas pomiarów z detekcją synchroniczną,...
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Application of fiber optic sensors using Machine Learning algorithms for temperature measurement of lithium-ion batteries
PublicationOptical fiber sensorsusing low-coherence interferometry require processing ofthe output spectrum or interferogramto quickly and accurately determine the instantaneous value of the measured quantity, such as temperature.Methods based on machine learning are a good candidate for this application. The application of four such methods in an optical fiber temperature sensoris demonstrated.Using aZnO-coated...
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Interactions between hydration spheres of two different solutes in solution: The least squares fitting with constraints as a tool to determine water properties in ternary systems
PublicationBiological systems are complex and the problem of their description lies in mutual interactions between their components. This paper is focused on model experiment-based studies which can reduce these difficulties. The ternary aqueous N-methylacetamide (NMA)–Na2HPO4 system has been studied by means of the FTIR spectroscopy. A novel difference spectra method aimed to extract the spectral contribution of water affected simultaneously...
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Preconditioners with Low Memory Requirements for Higher-Order Finite-Element Method Applied to Solving Maxwell’s Equations on Multicore CPUs and GPUs
PublicationThis paper discusses two fast implementations of the conjugate gradient iterative method using a hierarchical multilevel preconditioner to solve the complex-valued, sparse systems obtained using the higher order finite-element method applied to the solution of the time-harmonic Maxwell equations. In the first implementation, denoted PCG-V, a classical V-cycle is applied and the system of equations on the lowest level is solved...
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Detection of propofol concentrations in blood by Raman spectroscopy
PublicationIn this paper we present a proof-of-concept of a Raman spectroscopy-based approach for measuring the content of propofol, a common anesthesia drug, in whole human blood, and plasma, which is intended for use during clinical procedures. This method utilizes the Raman spectroscopy as a chemically–sensitive method for qualitative detection of the presence of a drug and a quantitative determination of its concentration. A number of...
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Identification of inherent noise components of semiconductor devices on an example of optocouplers
PublicationIn the paper, a method of estimation of parameters of Gaussian and non-Gaussian components in the noise signal of semiconductor devices in a frequency domain is proposed. The method is based on composing estimators of two spectra, corresponding to noise (Gaussian component) and two-level RTS noise (non-Gaussian component). The proposed method can be applied for precise evaluation of the corner RTS frequency fRTS in the noise...
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A reliable synthesis of discrete-time H-inf control. Part I: basic theorems and J-lossless conjugators
PublicationThe paper gives a basis for solving many problems of numerically reliable synthesis of sub-optimal discrete-time control in H-inf. The approach is based on J-lossless factorisation of the delta-domain chain-scattering description of continuous-time plants being controlled. Relevant properties of poles and zeroes of chain-scattering models are given. Necessary and sufficient conditions for the existence of stabilising J-lossless...
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Pathological and physiological high-frequency oscillations in focal human epilepsy
PublicationHigh-frequency oscillations (HFO; gamma: 40-100 Hz, ripples: 100-200 Hz, and fast ripples: 250-500 Hz) have been widely studied in health and disease. These phenomena may serve as biomarkers for epileptic brain; however, a means of differentiating between pathological and normal physiological HFO is essential. We categorized task-induced physiological HFO during periods of HFO induced by a visual or motor task by measuring frequency,...
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Wavelet filtering of signals without using model functions
PublicationThe effective wavelet filtering of real signals is impossible without determining their shape. The shape of a real signal is related to its wavelet spectrum. For shape analysis, a continuous color wavelet spectrogram of signal level is often used. The disadvantage of continuous wavelet spectrogram is the complexity of analyzing a blurry color image. A real signal with additive noise strongly distorts the spectrogram based on continuous...
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Multiple sound sources localization in real time using acoustic vector sensor
PublicationMethod and preliminary results of multiple sound sources localization in real time using the acoustic vector sensor were presented in this study. Direction of arrival (DOA) for considered source was determined based on sound intensity method supported by Fourier analysis. Obtained spectrum components for considered signal allowed to determine the DOA value for the particular frequency independently. The accuracy of the developed...
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Indeksy demokracji i stan zaawansowania ich rozwoju ze szczególnym uwzględnieniem projektu Varieties of Democracy - Democracy indices and their state of development with a special focus on the Varieties of Democracy project
PublicationIndeksy demokracji już od wielu lat pomagają naukowcom w klasyfikowaniu reżimów politycznych na całym świecie. Czy jednak projekty tego typu mierzyły i mierzą jakość demokracji w sposób adekwatny? Na podstawie przeglądu literatury przedmiotu można stwierdzić znaczny rozwój metodologii w tym zakresie od końca XX wieku w odpowiedzi na wcześniejsze braki.Autor artykułu opisuje rozwój indeksów demokracji od pierwszych...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublicationCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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Metody usuwania zakłóceń podczas pomiarów polowych widm Ramana
PublicationW pracy zostały scharakteryzowane źródła zakłóceń występujące podczas pomiarów widm Ramana w warunkach polowych. Zaprezentowano wpływ czasu integracji na jakość rejestrowanych widm w przypadkach, gdy szumy własne spektrometru mają składową typu 1/f, dominującą w zakresie małych częstotliwości. Przedstawiono także wyniki uzyskane podczas pomiarów z detekcją synchroniczną, stosowaną w przenośnych spektrometrach Ramana, w pomiarach...
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The accuracy of pulse rate estimation from the sequence of face images
PublicationThe 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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Detection system for optical coherence tomography: Czerny-Turner spectrometer
PublicationResearch methods based on spectral analysis have powerful impact on development in many field of science. Signal spectrum can be a source of useful and important data. It enables to obtain information about physical and chemical properties of tested materials. This paper has been devoted to describe optical design for high resolution spectrometer, which is significant element of optical coherence tomography (OCT) systems. Designed...
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Algorytmy przetwarzania widm Ramana w procesie detekcji substancji chemicznych
PublicationRozprawa przedstawia szczegółowo algorytmy, jakie są stosowane podczas przetwarzania widm Ramana, rejestrowanych przenośnym spektrometrem o skończonej rozdzielczości. Pracę podzielono na osiem rozdziałów. W pierwszym określono cel i tezy pracy. Rozdział drugi opisuje podstawowe pojęcia dotyczące zjawiska Ramana oraz zasady budowy urządzeń do pomiarów widm Ramana. W rozdziale trzecim scharakteryzowano błędy występujące podczas pomiarów...
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Valence and Ionic Lowest-Lying Electronic States of Isobutyl Formate Studied by High-Resolution Vacuum Ultraviolet Photoabsorption, Photoelectron Spectroscopy, and Ab Initio Calculations
PublicationThe highest resolution vacuum ultraviolet photoabsorption spectrum of isobutyl formate, C5H10O2, yet reported is presented over the energy range 4.5−10.7 eV (275.5−118.0 nm) 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 and oscillator...
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Influence of orientational disorder on the optical absorption properties in hybrid metal‐halide perovskite CH3NH3PbI3. A combined DFT/TD‐DFT and experimental study.
PublicationAn experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed in order to reveal the structural disorder and to identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement...
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The control software of the portable raman spectrometer
PublicationThe paper contains a description of the control software of a portable Raman spectrometer which was built in the Department of Optoelectronics and Electronic Systems Faculty of Electronics, Telecommunications and Informatics Gdansk University of Technology. The software has modular structure, which includes the laser control module and the spectrum acquisition module (laser power selection, working mode and data acquisition time)...
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Profiles of a broad spectrum of epigenetic DNA modifications in normal and malignant human cell lines: Proliferation rate is not the major factor responsible for the 5-hydroxymethyl-2′-deoxycytidine level in cultured cancerous cell lines
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Accurate, Direct, and High-Throughput Analyses of a Broad Spectrum of Endogenously Generated DNA Base Modifications with Isotope-Dilution Two-Dimensional Ultraperformance Liquid Chromatography with Tandem Mass Spectrometry: Possible Clinical Implication
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Preliminary Study on the Antibacterial Activity of Essential Oils Alone and in Combination with Gentamicin Against Extended-Spectrum β-Lactamase-Producing and New Delhi Metallo-β-Lactamase-1-Producing Klebsiella pneumoniae Isolates
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Noise in biological Raman spectroscopy
PublicationRaman spectroscopy is a widely used method to investigate chemical molecules by analyzing their vibrational transitions. It utilizes inelastic scattering of the laser light irradiating the investigated object. The scattered light requires appropriate filtering to reduce dominant laser light and expose much weaker components having shifted wavelengths of a characteristic spectral pattern. These components are measured by dispersing...
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Two examples of Quantum Dynamical Semigroups
PublicationThe 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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The Doppler effect in a bistatic system for determining the position of moving targets
PublicationThe article presents the theoretical analysis and the results of numerical calculations of the Doppler effect it occurs in a system designed to determine the position and speed of a moving target. The transmitter is the source of the signal and it emits a sinusoidal, acoustic and continuous wave. Signal reflected off a moving target is received by four hydrophones. Based on the signals, four Doppler shifts are determined and inserted...
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Correction: Profiles of a broad spectrum of epigenetic DNA modifications in normal and malignant human cell lines: Proliferation rate is not the major factor responsible for the 5-hydroxymethyl-2′-deoxycytidine level in cultured cancerous cell lines
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Optical properties of thin TiO2 film deposited on the fiber optic sensor head
PublicationThe presented study was focused on investigation of the titanium dioxide (TiO2) thin film deposited on the fiber tip. The intention of this investigation was using TiO2 film in the construction of the optical fiber sensor head. In the demonstrated construction TiO2 thin layer was deposited on the tip of a commonly used telecommunication single mode optical fiber (SMF-28) by means of the Atomic Layer Deposition (ALD). Thickness...
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Application of the Fractional Fourier Transform for dispersion compensation in signals from a fiber-based Fabry-Perot interferometer
PublicationOptical methods of measurement do not require contact of a probe and the object under study, and thus have found use in a broad range of applications such as nondestructive testing (NDT), where noninvasive measurement is crucial. Measuring the refractive index of a material can give a valuable insight into its composition. Low‑coherence radiation sources enable measurement of the sample’s properties across a wide spectrum, while...
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In uence of Low-Level Features Extracted from Rhythmic and Harmonic Sections on Music Genre Classi cation
PublicationWe present a comprehensive evaluation of the infuence of 'harmonic' and rhythmic sections contained in an audio file on automatic music genre classi cation. The study is performed using the ISMIS database composed of music files, which are represented by vectors of acoustic parameters describing low-level music features. Non-negative Matrix Factorization serves for blind separation of instrument components. Rhythmic components...
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FIBRE-OPTIC SENSOR FOR SIMULTANEOUS MEASUREMENT OF THICKNESSAND REFRACTIVE INDEX OF LIQUID LAYERS
PublicationIn this paper, we present a fibre-optic sensor for simultaneous measurement of refractive index and thickness of liquid layers. We designed an experimental low-coherence setup with two broadband light sources and an extrinsic fibre-optic Fabry–Pérot interferometer acting as the sensing head. We examined how the refractive index of a liquid film and its thickness affect spectrum at the output of a fibre-optic interferometer. We...
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Fluctuation-Enhanced Sensing of Organic Vapors by Ink-Printed MoS2 Devices under UV Irradiation
PublicationThis work presents the results of fluctuationenhanced sensing (FES) of selected organic gases by MoS2 sensor fabricated via a simple ink printing method. We demonstrate that low-frequency noise measured under UV irradiation (275 nm) is more sensitive to different gases than measured in the dark. The noise at 1 Hz under UV light increased 3.3, 3.5, 1.6, and 2.9 times for chloroform, tetrahydrofuran, acetonitrile, and acetone ambiances, respectively....
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Modeling and Accuracy Assessment of Determining the Coastline Course Using Geodetic, Photogrammetric and Satellite Measurement Methods: Case Study in Gdynia Beach in Poland
PublicationThe coastal environment represents a resource from both a natural and economic point of view, but it is subject to continuous transformations due to climate change, human activities, and natural risks. Remote sensing techniques have enormous potential in monitoring coastal areas. However, one of the main tasks is accurately identifying the boundary between waterbodies such as oceans, seas, lakes or rivers, and the land surface....
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Polarimetric studies of L-arginine-doped potassium dihydrogen phosphate single crystals
PublicationConoscopic interference patterns, channelled spectra and polarimetric techniques have been used for the characterization of pure and doped (with L-arginine amino acid) potassium dihydrogen phosphate (KDP) single crystals. Experimental polarimetric data have been obtained for the frequently used wavelength of 633 nm and for two close wavelengths of 532 and 543 nm in a high-accuracy dual-wavelength polarimeter. The measurement of...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublicationThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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Optical Magnetometry Based on Nanodiamonds with Nitrogen-Vacancy Color Centers
PublicationNitrogen-vacancy color centers in diamond are a very promising medium for many sensing applications such as magnetometry and thermometry. In this work, we study nanodiamonds deposited from a suspension onto glass substrates. Fluorescence and optically detected magnetic resonance spectra recorded with the dried-out nanodiamond ensembles are presented and a suitable scheme for tracking the magnetic-field value using a continuous...
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Interactions of fish gelatin and chitosan in uncrosslinked and crosslinked with EDC films: FT-IR study
PublicationFilms based on fish gelatin, chitosan and blend of fish gelatin and chitosan before and after cross-linking with EDC have been characterized by FT-IR spectroscopy. The FT-IR spectrum of fish gelatin film showed the characteristic amide I, amide II and amide III bands, and the FT-IR spectrum of chitosan film confirmed that the polymer was only a partially deacetylated product, and included CH3-C=O and NH2 groups, the latter both...
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Evaluation of high-frequency roughness measurement errors for composite and ceramic surfaces after machining
PublicationPrecise characterisation of surface topography is of the greatest importance since many factors directly affect the accuracy of the whole measurement process. In this paper, the variety of surface topographies from machined composite and ceramic workpieces was studied with a special emphasis on the measurement results. Surfaces were subjected to the ground diamond, honing and milling processes. Measurement results were analysed...
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Tonality Estimation and Frequency Tracking of Modulated Tonal Components
PublicationA novel method for tonality estimation and frequency tracking of tonal components modulated in frequency and amplitude is presented. The algorithm detects the local maxima of magnitude spectra corresponding to three contiguous frames of a signal and matches them into the tonal track candidates. The magnitude-based and phase-based methods are used to estimate the frequency jumps between spectrum maxima belonging to the tonal track...
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Structural, physicochemical and anticancer study of Zn complexes with pyridyl-based thiazolyl-hydrazones
PublicationThiazolyl-hydrazones (THs) exhibit a wide spectrum of biological activity that can be enhanced by complexation with various metal ions. Zn(II) complexes with α-pyridine-1,3-TH ligands may represent an alternative to the standard platinum-based chemotherapeutics. In addition, they show photoluminescence properties and thus can be regarded as multifunctional materials. In this study, we synthesized and characterized three neutral...
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Multi-mode vibronic interactions in the five lowest electronic states of the fluorobenzene radical cation
PublicationThe multi-mode vibronic interactions between the five lowest electronic states of the fluorobenzene radical cation are investigated theoretically, based on ab initio electronic structure data, and employing the linear vibronic coupling model. Low-energy conical intersections, and strong vibronic couplings are found to prevail within the set of X-A and B-C-D cationic states, while the interactions between these two sets of states...
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Anatomy of noise in quantitative biological Raman spectroscopy
PublicationRaman spectroscopy is a fundamental form of molecular spectroscopy that is widely used to investigate structures and properties of molecules using their vibrational transitions. It relies on inelastic scattering of monochromatic laser light irradiating the specimen. After appropriate filtering the scattered light is dispersed onto a detector to determine the shift from the excitation wavelength, which appears in the form of...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublicationThe 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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How Can We Identify Electrophysiological iEEG Activities Associated with Cognitive Functions?
PublicationElectrophysiological activities of the brain are engaged in its various functions and give rise to a wide spectrum of low and high frequency oscillations in the intracranial EEG (iEEG) signals, commonly known as the brain waves. The iEEG spectral activities are distributed across networks of cortical and subcortical areas arranged into hierarchical processing streams. It remains a major challenge to identify these activities in...
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Investigating Noise Interference on Speech Towards Applying the Lombard Effect Automatically
PublicationThe aim of this study is two-fold. First, we perform a series of experiments to examine the interference of different noises on speech processing. For that purpose, we concentrate on the Lombard effect, an involuntary tendency to raise speech level in the presence of background noise. Then, we apply this knowledge to detecting speech with the Lombard effect. This is for preparing a dataset for training a machine learning-based...
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Profile irregularities of turned surfaces as a result of machine tool interactions
PublicationThe paper describes the influence of the machining operation on a surface, which disturbs the projection of the tool profile in the form of its relative movements with respect to the object. The elements of the machine tool undergo constant wear during the machining process, it is therefore important to recognize the effects of their influence on the surface's irregularities. Amplitude-frequency analysis of lateral profiles has...