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Post-Chromatographic Derivatization Coupled with Mass Spectrometry as a Method of Profiling and Identification of Antioxidants; Ligustrum vulgare Phytocomplex as an Example
PublikacjaHigh-performance liquid chromatography (HPLC) and high-performance thin-layer chromatography (HPTLC) coupled with radical scavenging assays, such as 2,2-diphenyl-1-picrylhydrazyl (DPPH) and 2,2′-azinobis-(3-ethylbenzothiazoline-6-sulfonic acid (ABTS) can be both used for the detection of the antioxidants in plant extracts. In this study, the ethanolic (70% v/v) extracts from different morphological parts of Ligustrum vulgare collected...
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Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
PublikacjaIn this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
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Headspace Solid-Phase Microextraction Coupled with Gas Chromatography–Mass Spectrometry for the Determination of Volatile Organic Compounds in Urine
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Harmonic Vibrations of Nanosized Magnetoelectric Bodies with Coupled Surface and Interphase Effects: Mathematical Models and Finite Element Approaches
PublikacjaThe harmonic problems for piezomagnetoelectric nanosized bodies with taking into account the coupled damping and surface effects are considered on the base of the generalized Gurtin-Murdoch model. In the development of previous investigations, the coupled mechanical, electric and magnetic surface effects with surface inertial terms are introduced into the model. For a homogeneous model, the composite material is considered as homogeneous...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublikacjaWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Enhanced coupled elasto-plastic-damage models to describe concrete behaviour in cyclic laboratory tests: comparison and improvement.
PublikacjaArtykuł omawia różne modele połączone sprężysto-plastyczne z degradacją sztywności do opisu zachowania się betonu pod obciążeniem cyklicznym. Modele zostały rozszerzone o długość charakterystyczną mikrostruktury w do opisu lokalizacji odkształceń. Wykonano obliczenia MES dla ściskania i zginania. Zaproponowano własny ulepszony model.
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FE investigations of the effect of fluctuating local tensile strength on coupled energetic-statistical size effect in concrete beams
PublikacjaThe effect of fluctuating local tensile strength on a coupled energetic-statistical size effect in plain concrete beams under bending was numerically investigated. First, the influence of varying autocorrelation length of the random field describing a spatial variation of local tensile strength was studied. Next, the influence of the coefficient of variation of local tensile strength was analyzed. The numerical FE investigations...
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Coupled elasto-plastic-damage model with non-local softening enhanced by viscosity to describe dynamic concrete behaviour
PublikacjaW artykule zaproponowano model do opisu betonu podczas dynamicznego obciążenia. Przyjęto model sprężysto-plastyczny z degradacją sztywności i nielokalnym osłabieniem rozszerzony o lepkość. Obliczenia MES dla elementów betonowych pod obciążeniem dynamicznym o różnej prędkości obciążenia porównano z doświadczeniami.
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Fast-SEC coupled to ICP-MS for selected metal determination and its stability over time in polish wine
PublikacjaMetal ions contribute to the wine browning (as reaction catalysts), turbidity (in complexes), and astringency (due to inter- action with tannins). Being aware that bioavailability and metabolism of metal ions in the human body are strictly related with their concentration and the form they occur it is important to monitor not only the total content of metals but also their speciation. Thus, we can obtain more information about...
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Volterra series usefulness in modelling of the time-domain cross-talk phenomena in coupled microstrip lines with nonlinear termination
PublikacjaW pracy przedyskutowano możliwość wykorzystania szeregów Volterry do analizy zjawiska przesłuchu w sprzężonych liniach mikropaskowych z nieliniowym obciążeniem. Apracowano algorytm metody, zaś uzyskane wyniki numeryczne zweryfikowano poprzez porównania z wynikami badań eksperymentalnych linii obciążonych w torze transmisyjnym diodą Schottky'ego.
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Study of Slip Effects in Reverse Roll Coating Process Using Non-Isothermal Couple Stress Fluid
PublikacjaThe non-isothermal couple stress fluid inside a reverse roll coating geometry is considered. The slip condition is considered at the surfaces of the rolls. To develop the flow equations, the mathematical modelling is performed using conservation of momentum, mass, and energy. The LAT (lubrication approximation theory) is employed to simplify the equations. The closed form solution for velocity, temperature, and pressure gradient...
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A Model-Order Reduction Approach for Electromagnetic Problems With Nonaffine Frequency Dependence
PublikacjaThe aim of this paper is to present a novel model-order reduction (MOR) technique for the efcient frequency-domain nite-element method (FEM) simulation of microwave components. It is based on the standard reduced-basis method, but the subsequent expansion frequency points are selected following the so-called sparsied greedy strategy. This feature makes it especially useful to perform a fast-frequency sweep of problems that lead...
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A diode rectifier with a Special Coupled Reactor and additional Active Power Filter in the Marine Local Power Network Supply Conditions
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Air Pollution Research Based on Spider Web and Parallel Continuous Particulate Monitoring—A Comparison Study Coupled with Identification of Sources
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Estimation of platinum in environmental water samples with solid phase extraction technique using inductively coupled plasma mass spectrometry
PublikacjaZoptymalizowano metodykę oznaczania śladowych poziomów stężeń platyny (IV) w oparciu o technikę ekstrakcji do fazy stałej w połączeniu ze spektrometrią mas z plazmą wzbudzoną indukcyjnie. Na etapie wzbogacania platyny wykorzystano żel krzemionkowy modyfikowany grupami aminopropylowymi. Ilościowy odzysk platyny uzyskano poprzez wykorzystanie 1.0 mol L-1 roztworu tiomocznika jako eluenta. Odchylenie standardowe wyników (RSD) było...
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Optimization of a novel procedure for determination of VOCs in water and human urine samples based on SBSE coupled with TD-GC-HRMS.
PublikacjaPodczas ozanczania lotnych związków chlorowcoorganicznych (t.j. bromodichlorometanu, dibromochlorometanu, bromoformu I tetrachloroetylenu) z próbek wody I moczu ludzkiego wykorzystano technikę ekstrakcji za pomocą ruchomego elementu sorpcyjnego typu Twister połączonego z desorpcją termiczną analitów do kolumny chromatografu gazowego wyposażonego w wysokosprawny spektrometr mas. Przeprowadzono optymalizację czasu (30 min) i prędkości...
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Dispersive Delay Structures With Asymmetric Arbitrary Group-Delay Response Using Coupled-Resonator Networks With Frequency-Variant Couplings
PublikacjaThis article reports the design of coupled-resonatorbased microwave dispersive delay structures (DDSs) with arbitrary asymmetric-type group delay response. The design process exploits a coupling matrix representation of the DDS circuit as a network of resonators with frequency-variant couplings (FVCs). The group delay response is shaped using complex transmission zeros (TZs) created by dispersive cross-couplings. We also present an...
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Online Volatile Compound Emissions Analysis Using a Microchamber/Thermal Extractor Coupled to Proton Transfer Reaction-Mass Spectrometry
PublikacjaIndoor air is a complex and dynamic mixture comprising manifold volatile organic compounds (VOCs) that may cause physiological and/or psychological discomfort, depending on the nature of exposure. This technical note presents a novel approach to analyze VOC emissions by coupling a microchamber/thermal extractor (μ-CTE) system to a proton transfer reaction-mass spectrometer (PTR-MS). This configuration provides an alternative to...
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Rapid determination of multiple aminoglycoside antibiotics in veterinary formulations by ion-pair chromatography coupled with evaporative light scattering detection
PublikacjaA fast and simple method for simultaneous determination of eight aminoglycoside antibiotics using ion-pairing liquid chromatography (IPLC) coupled with evaporative light scattering detection (ELSD) has been developed and validated. Separation of amikacin, apramycin, gentamicin (as a sum of gentamicin C1, C2 and C1A), kanamycin A, neomycin B, paromomycin, streptomycin and tobramycin was achieved using C18 column with H2O and MeOH/acetone,...
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In-Syringe Dispersive Liquid-Liquid Microextraction Coupled with High- Performance Liquid Chromatography for Trace Analysis of Naphthalene Sulfonates in Seawater
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Phase I and phase II metabolism simulation of antitumor-active 2-hydroxyacridinone with electrochemistry coupled on-line with mass spectrometry.
PublikacjaHere, we report the metabolic profile and the results of associated metabolic studies of 2-hydroxyacridinone (2-OH-AC), the reference compound for antitumor-active imidazo- and triazoloacridinones. Electrochemistry coupled with mass spectrometry was applied to simulate the general oxidative metabolism of 2-OH-AC for the first time. The reactivity of 2-OH-AC products to biomolecules was also examined. The usefulness of the electrochemistry...
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Coupled evolution of preferential paths for force and damage in the pre-failure regime in disordered and heterogeneous, quasi-brittle granular materials.
PublikacjaMetoda elementów dyskretnych (DEM) została wykorzystana do symulacji betonu poddanego jednoosiowemu rozciąganiu. Beton modelowano jako materiał losową heterogeniczy 2/3-fazowy, złożony z cząstek kruszywa, matrycy cementowej i stref przejściowych międzyfazowej. Odkryto dowody na zoptymalizowaną transmisję siły, scharakteryzowaną przez dwa nowe wzorce, które przewidują i wyjaśniają sprzężoną ewolucję ścieżki siły i uszkodzenia od...
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Effect of free water on the quasi‑static compression behavior of partially‑saturated concrete with a fully coupled DEM/CFD approach.
PublikacjaThe work aims to numerically investigate the quasi-static response of partially fluid-saturated concrete under two-dimensional uniaxial compression at the mesoscale. We investigated how the impact of free pore fluid content (water and gas) affected the quasi-static strength of concrete. The totally and partially fluid-saturated concrete behavior was simulated using an improved pore-scale hydro-mechanical model based on DEM/CFD....
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Mesoscopic simulations of a fracture process in reinforced concrete beam in bending using a 2D coupled DEM/micro-CT approach
PublikacjaW tej pracy zbadano numerycznie w warunkach 2D złożony proces pękania w krótkiej prostokątnej belce betonowej wzmocnionej jednym prętem podłużnym (bez zbrojenia pionowego) i poddanej quasi-statycznemu zginaniu w trzech punktach. Krytyczne pęknięcie poprzeczne w belce spowodowało jej uszkodzenie podczas doświadczenia. Symulacje numeryczne przeprowadzono klasyczną metodą elementów dyskretnych (DEM). Przyjęto trójfazowy opis betonu:...
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Determination of volatile aliphatic amines in air by solid phase microex traction coupled with gas chromatography with flame ionization detection.
PublikacjaOpisano nową metodę oznaczania lotnych amin alifatycznych w powietrzu. Metodyka oparta jest na zastosowaniu techniki mikroekstrakcji do fazy stacjonarnej na etapie pobierania próbek oraz zestawu GC-FID do rozdzielania i oznaczania poszczególnych analitów.Badaniom poddano nowe typy faz stacjonarnych.Zbadano wpływ wilgotności powietrza na proces pobierania próbek analitów z powietrza.
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Determination of nonsteroidal antiinflammatory drugs in water samples using liquid chromatography coupled with diode-array detector and mass spectrometry
PublikacjaOpracowano i zwalidowano metodykę do oznaczania śladowych ilości sześciu różnych związków z grupy niesteroidowych leków przeciwzapalnych w próbkach wodnych. Anality zostały wybrane spośród najczęsciej sprzedawanych leków w Polsce. Sprawdzono kilka różnych kolumienek ekstrakcyjnych i wybrano RP-18 jako najlepsze wypełnienie do wzbogacania oznaczanych związków. Opracowaną metodykę z powodzeniem zastosowano do analizy próbek rzeczywistych.
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Vibrational inelastic electron-H2 scattering revisited: numerically converged coupled channels space frame calculations with model interaction
PublikacjaZderzeniowe wzbudzenie niższych oscylacyjnych poziomów molekuły H2 (^1Σ^+,g) przez elektrony o niskiej energii. Obliczenia wykonano przy użyciu empirycznego modelowego potencjału oraz przez rozwiązanie równania rozpraszania dwukanałowego w układzie współrzędnych, związanych z molekułą.
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Investigation of H2:CH4 plasma composition by means of spatially resolved optical spectroscopy
PublikacjaThe system based on spatially resolved optical emission spectroscopy dedicated for in situ diagnostics of plasma assisted CVD processes is presented in this paper. Measurement system coupled with chemical vapour deposition chamber by dedicated fiber-optic paths enables investigation of spatial distribution of species densities (Hx, H+, CH, CH+) during chemical vapour deposition process. Experiments were performed for a various...
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Analysis of serum homocysteine in the laboratory practice - comparison of the direct chemiluminescence immunoassay and high performance liquid chromatography coupled with fluorescent detection
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Comparison of classical and modern approach of determination of highly polar compounds by High Performance Liquid Chromatography coupled with Tandem Mass Spectrometry
PublikacjaAbstract: Sugars and sugar alcohols are known as highly polar compounds. Four analytes were taken into consideration for comparison of classical and modern approach of separation of highly polar substances. Mannitol was chosen as an example of simple sugar alcohol, sucrose and lactulose as examples of disaccharides and structural isomers, raffinose as an example of complex trisaccharide. Raffinose was also used as internal standard...
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Comprehensive two dimensional gas chromatography coupled with mass spectrometry as tool for characterization of the main pollutants present in atmospheric air in Gdansk
PublikacjaNowadays, the technique that is commonly used to identify and quantify the chemical compounds in gas sample is gas chromatography. The separation resolution in gas chromatography can be improved by applying the modulation technique. In this paper present is the most important information regarding the pollutants present in atmospheric air. The areas in which the tests were carried out are one of the largest industrial zones in...
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Steroid profiles as potential biomarkers in patients with urogenital tract cancer for diagnostic investigations analyzed by liquid chromatography coupled to mass spectrometry
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Molecularly imprinted stir bar sorptive extraction coupled with atomic absorption spectrometry for trace analysis of copper in drinking water samples
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Molecularly imprinted stir bar sorptive extraction coupled with high-performance liquid chromatography for trace analysis of naphthalene sulfonates in seawater
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The spectral finite element model for analysis of flexural-shear coupled wave propagation. Part 2: Delaminated multilayer composite beam
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Design and Implementation of a Dual-band Filtering Wil-kinson Power Divider Using Coupled T-shaped Dual-band Resonators
PublikacjaThe paper introduces a novel structure of a dual-band filtering Wilkinson power divider (WPD). Its essential component is a dual-band bandpass filter (BPF), implemented using coupling lines and two T-shaped resonators. The BPF is incorporated into the divider structure to suppress the unwanted harmonics within the circuit. The latter is achieved owing to a wide stopband of the filter. The deigned dual-band WPD can suppress third...
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Miniaturized, green salting-out liquid–liquid microextraction coupled with GC–MS used to evaluate biogenic amines in wine samples
PublikacjaMonitoring of the biogenic amines (BAs) content in food products, including wine, is important due to the health and safety of consumers and from the quality control point of view. In a given study, simultaneous derivatization and salting-out liquid–liquid microextraction (SALLME) coupled with GC–MS for BAs determination from wine samples was developed. For the optimization the Box-Behnken design was applied, where three independent...
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Quality control of cheese samples for the presence of natamycin preservative – A natural deep eutectic solvent (NADES) based extraction coupled with HPLC
PublikacjaA new protocol for the determination of natamycin – an antifungal agent used as a food preservative - in cheese samples – is described. This new method is based on a natural deep eutectic solvent (NADES) green extraction procedure. High-performance liquid chromatography (HPLC) was used for detection and quantification. NADESs with different molar ratios were evaluated for efficient and selective extraction. NADES made of thymol...
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Inverse Nonlinear Eigenvalue Problem Framework for the Synthesis of Coupled-Resonator Filters With Nonresonant Nodes and Arbitrary Frequency-Variant Reactive Couplings
PublikacjaA novel, general circuit-level description of coupledresonator microwave filters is introduced in this article. Unlike well-established coupling-matrix models based on frequency-invariant couplings or linear frequency-variant couplings (LFVCs), a model with arbitrary reactive frequencyvariant coupling (AFVC) networks is proposed. The engineered formulation is more general than prior-art ones—with the only restriction that the coupling...
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A coupled constitutive model for fracture in plain concrete based on continuum theory with non-local softening and eXtended Finite Element Method
PublikacjaThe paper presents a constitutive model for concrete which combines a continuous and discontinuous fracture description. In a continuum regime, two different constitutive laws were used. First, a plasticity model with a Rankine failure criterion and an associated fl ow rule was used. Second, a constitutive law based on isotropic damage mechanics was formulated. In order to capture the width of a localized zone and to obtain mesh-independent...
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A rapid dispersive liquid–liquid microextraction of antimicrobial onion organosulfur compounds in animal feed coupled to gas chromatography-mass spectrometry
PublikacjaA rapid analytical procedure is proposed for determining two antimicrobial onion organosulfur compounds, propyl disulfide (PDS) and propyl propane thiosulfonate (PTSO), in animal feed. The use of PTSO as a natural ingredient in animal feed is allowed due to its antimicrobial activity against pathogenic organisms. Two analytical methodologies using gas chromatography coupled to mass spectrometry (GC-MS) are compared. After the extraction...
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Discrepancies in determination of biogenic amines in beer samples by reversed phase and hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry
PublikacjaBiogenic amines (BAs) are nitrogenous organic bases occurring mainly in fermented food and beverages as a result of free amino acids bacterial decarboxylation. The reversed phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) based methods were compared in terms of usefulness for determination of BAs in beer samples. Analysis of BAs with the use of RPLC method were carried out after their...
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The spectral finite element model for analysis of flexural-shear coupled wave propagation. Part 2, Delaminated multilayer composite beam
PublikacjaW pracy przedstawiono, wykorzystując metodę elementów spektralnych, analizę wpływu delaminacji na propagację fali giętno-ścinającej w belce kompozytowej.
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The spectral finite element model for analysis of flexural-shear coupled wave propagation. Part 1, Laminated multilayer composite beam
PublikacjaW pracy przedstawiono model spectralnego elementu skończonego umożliwiającego symulację propagacji fali giętno-ścinającej w materiałąch kompozytowych.
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Determination of robenidine in animal feeds by liquid chromatography coupled with diode-array detection and mass spectrometry after accelerated solvent extraction
PublikacjaRobenidyna (chlorowodorek 1,3-bis[(4-chlorobenzylideno)amino]guanidyny) jest stosowana w celu zapobiegania i leczenia kokcydiozy - pasożytniczej choroby układu pokarmowego wielu zwierząt hodowlanych (kozy, owce, króliki, drób) wywoływanej przez pierwotniaki należące do rzędu Eimeria tenella, E. Necatrix, E. Acervulina, E. Maxima, E. Brunetti, and E. Mivati. Robenidyna wykazuje stosunkowo wysoką skuteczność terapeutyczną, przy niewielkiej...
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Estimation of Broadband Complex Permeability Using SIW Cavity-Based Multimodal Approach
PublikacjaIn this article, an attractive multimodal substrate integrated waveguide (SIW) based methodology is presented for the characterization of magnetic materials in the broadband microwave frequency. The proposed approach employs a modified feed under-coupled SIW cavity instead of conventional feed over-coupled multiple SIW cavities; it uses the modified closedform expression, developed from the first principle to consider the effect...
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Wykorzystanie metody Neldera-Meada do identyfikacji wartości parametrów niequasi-statycznego modelu małosygnałowego tranzystora MOS
PublikacjaW artykule zaprezentowano wyniki zastosowania metody sympleksu Neldera-Meada do ekstrakcji wartości parametrów niequasi-stycznego modelu małosygnałowego tranzystora MOS. Przedstawiono równoważny elektryczny schemat zastępczy i model matematyczny nowego modelu małosygnałowego MOSFETa dla częstotliwości mikrofalowych. Opisano zaimplementowany algorytm i otrzymane rezultaty badań.
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Hanging drop cathode-atmospheric pressure glow discharge as a new method of sample introduction for inductively coupled plasma-optical emission spectrometry
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Electron Density from Balmer Series Hydrogen Lines and Ionization Temperatures in Inductively Coupled Argon Plasma Supplied by Aerosol and Volatile Species
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Wave-induced stress and breaking of sea ice in a coupled hydrodynamic–discrete-element wave–ice model
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