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Search results for: classical capacities of quantum
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Geminate-pair dissociation yield in systems with exponential energetic disorder — A Monte Carlo study
PublicationGeminate electron–hole recombination in systems with exponential energetic disorder is studied by Monte Carlo method. The field and temperature dependencies of geminate-pair dissociation probability are calculated. It is established that the dissociation yield of carrier pairs depends mainly on the extent of carrier thermalization, which influences the Einstein relationship. The approximate limiting temperature is given by Te =...
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Hybridized PWM Strategy for Three- and Multiphase Three-Level NPC Inverters
PublicationA simple hybridized pulsewidth modulation (PWM) algorithm for three- and multiphase three-level neutral point clamped (NPC) inverters is proposed. The proposed solution is based on classical space vector PWM (SVPWM) algorithms for two-level inverters but can also be based on sinusoidal PWM with min–max injection. An additional level of output voltage is obtained by modifying the resulting switching patterns taking into account...
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A stochastic approach for the solution of single and multi – objective optimisation problems of biological processes in sequencing batch reactor
PublicationThis paper investigates the impact of implementing single and multi-optimisation solutions on the biological treatment process in a sequencing batch reactor (SBR). The research is based on a case study of the water resource recovery facility (WRRF) in Swarzewo, Northern Poland. The paper introduces the adaptive extremum seeking control (ESC) method for dissolved oxygen (DO) concentration control and places it in a layered control structure....
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Active Control of Highly Autocorrelated Machinery Noise in Multivariate Nonminimum Phase Systems
PublicationIn this paper, a novel multivariate active noise control scheme, designed to attenuate disturbances with high autocorrelation characteristics and preserve background signals, is proposed. The algorithm belongs to the class of feedback controllers and, unlike the popular feedforward FX-LMS approach, does not require availability of a reference signal. The proposed approach draws its inspiration from the iterative learning control...
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On the deformation and frequency analyses of SARS-CoV-2 at nanoscale
PublicationThe SARS-CoV-2 virus, which has emerged as a Covid-19 pandemic, has had the most significant impact on people's health, economy, and lifestyle around the world today. In the present study, the SARS-CoV-2 virus is mechanically simulated to obtain its deformation and natural frequencies. The virus under analysis is modeled on a viscoelastic spherical structure. The theory of shell structures in mechanics is used to derive the governing...
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How acidic amino acid residues facilitate DNA target site selection
PublicationDespite the negative charge of the DNA backbone, acidic residues (Asp/Glu) commonly participate in the base readout, with a strong preference for cytosine. In fact, in the solved DNA/protein structures, cytosine is recognized almost exclusively by Asp/Glu through a direct hydrogen bond, while at the same time, adenine, regardless of its amino group, shows no propensity for Asp/Glu. Here, we analyzed the contribution of Asp/Glu...
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Lagrangian model of an isolated dc-dc converter with a 3-phase medium frequency transformer accounting magnetic cross saturation
PublicationThis article presents a nonlinear equivalent circuit model of an isolated dc-dc converter with a 3-phase medium frequency transformer. The model takes into account the magnetic cross saturation of the 3-phase core-type magnetic circuit. The model is suitable in detailed electromagnetic transient simulations of power systems involving isolated dc-dc converters. The model is developed using the Lagrange energy method. It involves...
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Market Structure and Market Power in Selected Sectors of The Polish Economy Based on COICOP Classification
PublicationThis paper present new and simple measures of market structure and market power. Based on the classical models of market structures, where a given structure is determined by the number of enterprises, indexes of degree of monopoly have been estimated, representing an average number of entities per branch. Additionally, market power indexes have been determined as an average revenue per an enterprise in a given branch. This approach...
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Analiza porównawcza procesów tłumienia i wygładzania fali ciśnienia w trakcie nieustalonego przepływu w rurociągach wykonanych z różnych materiałów.
PublicationUderzenie hydrauliczne jest uważane za jeden z najważniejszych problemów nieustalonego przepływu w przewodach, dlatego nadal stanowi obiekt badań wielu naukowców. To zagadnienie może być badane na dwóch poziomach: praktycznym i teoretycznym. W artykule zaprezentowane zostały wyniki badań doświadczalnych przeprowadzonych na stanowisku pomiarowym nieustalonego przepływu, funkcjonującym w Laboratorium Hydraulicznym Wydziału Inżynierii...
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Mieszanie w klasie niejednorodnych łańcuchów Markowa i kwadratowych operatorów stochastycznych
PublicationRozprawa doktorska poświęcona jest zagadnieniu asymptotycznych własności w klasie nieskończenie wymiarowych niejednorodnych łańcuchów Markowa z czasem dyskretnym oraz w klasie kwadratowych operatorów stochastycznych. W pierwszej kolejności definiowane są różne rodzaje asymptotycznego zachowania (mieszania) niejednorodnych łańcuchów Markowa odpowiadające zbieżności w normowej i mocnej topologii operatorowej oraz omówione są relacje...
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Comparative analysis of switched reluctance motor control algorithms
PublicationПредмет исследования. Развитие микропроцессорной техники и силовой электроники позволило создавать недорогие и эффективные системы управления различными электромеханическими объектами, которые ранее широко не использовались из-за сложности управления. К таким устройствам можно отнести вентильно-индукторные электрические машины. Данные машины широко применяются в различных практических разработках, например, в тяговом электроприводе,...
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Comparative analysis of switched reluctance motor control algorithms
PublicationПредмет исследования. Развитие микропроцессорной техники и силовой электроники позволило создавать недорогие и эффективные системы управления различными электромеханическими объектами, которые ранее широко не использовались из-за сложности управления. К таким устройствам можно отнести вентильно-индукторные электрические машины. Данные машины широко применяются в различных практических разработках, например, в тяговом электроприводе,...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublicationIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Diagnostic system of wheeled tractors detecting four defect's categories
PublicationIn a classical approach to damage diagnosis, the technical condition of an analyzed machine is identified based on the measured symptoms, such as performance, thermal state or vibration parameters. In wheeled tractor the fundamental importance has monitoring and diagnostics during exploitation concerning technical inspection and fault element localizations. The main functions of a diagnostic system are: monitoring tractor components...
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DESIGN LOGICAL LINGUISTIC MODELS TO CALCULATE NECESSITY IN TRUCKS DURING AGRICULTURAL CARGOES LOGISTICS USING FUZZY LOGIC
Publication: The study is aimed to develop the logic-linguistic models to design a number of rules for the correct calculation of the vehicles needed, taking into account the technical, technological, and weather and climate conditions of the harvesting and transport complex. The article has shown that the construction of the design of logic-linguistic models was not performed earlier to solve the problem of the agro-industrial production...
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An Ultra-Low-Energy Analog Comparator for A/D Converters in CMOS Image Sensors
PublicationThis paper proposes a new solution of an ultra-low-energy analog comparator, dedicated to slope analog-to-digital converters (ADC), particularly suited for CMOS image sensors (CISs) featuring a large number of ADCs. For massively parallel imaging arrays, this number may be as high as tens-hundreds of thousands ADCs. As each ADC includes an analog comparator, the number of these comparators in CIS is always high. Detailed analysis...
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Theoretical calculation of the physico-chemical properties of 1-butyl-4-methylpyridinium based ionic liquids
PublicationACCEPTED MAIonic liquids (ILs) have attracted much attention for their unique physicochemical properties, which can be designed as needed by altering the ion combinations. Besides experimental work, numerous computational studies have been concerned with prediction of physical properties of ILs. The results of molecular dynamics simulations of ILs depend strongly on the proper force field parameterization. Classical force fields...
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Revisiting The Determination Of Cutting Power While Sawing Of Wood With Circular Saw Blades By Means Of Fracture Mechanics
PublicationIn the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specific cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, cutting forces (power) could be considered from a point of view of modern fracture mechanics. Cutting forces may be employed to determine not only toughness...
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Discrete and continuous fractional persistence problems – the positivity property and applications
PublicationIn this article, we study the continuous and discrete fractional persistence problem which looks for the persistence of properties of a given classical (α=1) differential equation in the fractional case (here using fractional Caputo’s derivatives) and the numerical scheme which are associated (here with discrete Grünwald–Letnikov derivatives). Our main concerns are positivity, order preserving ,equilibrium points and stability...
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3D seafloor reconstruction using data from side scan and synthetic aperture sonar
PublicationSide scan and synthetic aperture sonars are widely used imaging systems in the underwater environment. They are relatively cheap and easy to deploy, in comparison with more powerful sensors, like multibeam echosounders. Although side scan and synthetic aperture sonars does not provide seafloor bathymetry directly, their records are finally related to seafloor images. Moreover, the analysis of such images performed by human eye...
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Influence of the notch rounding radius on estimating the elastic notch stress concentration factor in a laser welded tee joint
PublicationIn recent years an increased interest of industry in sandwich-type metal structures can be observed. These structures consist of thin plates of 2.5 mm in thickness separated by stiffeners of different shapes and forms. Welds joining the plates and stiffeners are made on the outer side of the plates using laser welding technique. A locally focused source of heat causes the plate to melt creating a very narrow and elongated joint....
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Localization of impulsive disturbances in audio signals using template matching
PublicationIn this paper, a new solution to the problem of elimination of impulsive disturbances from audio signals, based on the matched filtering technique, is proposed. The new approach stems from the observation that a large proportion of noise pulses corrupting audio recordings have highly repetitive shapes that match several typical “patterns”. In many cases a representative set of exemplary pulse waveforms can be extracted from the...
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On possible applications of media described by fractional-order models in electromagnetic cloaking
PublicationThe purpose of this paper is to open a scientific discussion on possible applications of media described by fractional-order (FO) models (FOMs) in electromagnetic cloaking. A 2-D cloak based on active sources and the surface equivalence theorem is simulated. It employs a medium described by FOM in communication with sources cancelling the scattered field. A perfect electromagnetic active cloak is thereby demonstrated with the use...
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Interaction Design in Agile IT Projects
PublicationIn recent years, interactive systems, such as various types of software, online services or mobile applications, have become an integral part of everyday life. Interactive systems and digital services should be easy to use and provide a positive User Experience (UX). For this reason, interaction design has recently emerged as a distinct professional area of information technology (IT). Easy interaction and user experience (UX)...
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Condition-Based Monitoring of DC Motors Performed with Autoencoders
PublicationThis paper describes a condition-based monitoring system estimating DC motor degradation with the use of an autoencoder. Two methods of training the autoencoder are evaluated, namely backpropagation and extreme learning machines. The root mean square (RMS) error in the reconstruction of successive fragments of the measured DC motor angular-frequency signal, which is fed to the input of autoencoder, is used to determine the health...
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Wild oscillations in a nonlinear neuron model with resets: (II) Mixed-mode oscillations
PublicationThis work continues the analysis of complex dynamics in a class of bidimensional nonlinear hybrid dynamical systems with resets modeling neuronal voltage dynamics with adaptation and spike emission. We show that these models can generically display a form of mixed-mode oscillations (MMOs), which are trajectories featuring an alternation of small oscillations with spikes or bursts (multiple consecutive spikes). The mechanism by...
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Improving Thermal Insulation Properties for Prefabricated Wall Components Made of Lightweight Aggregate Concrete with Open Structure
PublicationPorous concrete is commonly used in civil engineering due to its good thermal insulation properties in comparison with normal concrete and high compression strength in comparison with other building materials. An extremely porous concrete, called ‘lightweight aggregate concrete with open structure’ (LAC), is used in some German plants to produce prefabricated wall components. They are used mainly in hall buildings, e.g. supermarkets....
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Metoda diagnostyki cieplno-przepływowej turbin parowych wykorzystująca elementy algorytmów genetycznych
PublicationRozprawa doktorska poświęcona jest opisowi budowania metody diagnostyki cieplno-przepływowej z wykorzystaniem elementów algorytmów genetycznych. Do tworzenia założeń i algorytmów metody posłużono się przykładem funkcjonowania bloku elektrowni kondensacyjnej ze szczególnym uwzględnieniem układu łopatkowego turbiny parowej. Celem pracy jest zbudowanie metody diagnostyki cieplno-przepływowej. Zadaniem metody jest przeprowadzenie procesu...
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DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution
PublicationThe solution of the Poisson equation is a crucial step in electronic structure calculations, yielding the electrostatic potential -- a key component of the quantum mechanical Hamiltonian. In recent decades, theoretical advances and increases in computer performance have made it possible to simulate the electronic structure of extended systems in complex environments. This requires the solution of more complicated variants of the...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublicationThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe 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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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Static electric and magnetic multipole susceptibilities for Dirac one-electron atoms in the ground state
PublicationWe present tabulated data for several families of static electric and magnetic multipole susceptibilities for hydrogenic atoms with nuclear charge numbers from the range $1\leq Z\leq137$. Atomic nuclei are assumed to be point-like and spinless. The susceptibilities considered include the multipole electric polarizabilities $\alpha_{\mathrm{E}L\to\mathrm{E}L}$ and magnetizabilities (magnetic susceptibilities) $\chi_{\mathrm{M}L\to\mathrm{M}L}$...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublicationMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Magnetic field mapping along a NV-rich nanodiamond-doped fiber
PublicationIntegration of NV−-rich diamond with optical fibers enables guiding quantum information on the spin state of the NV− color center. Diamond-functionalized optical fiber sensors have been demonstrated with impressive sub-nanotesla magnetic field sensitivities over localized magnetic field sources, but their potential for distributed sensing remains unexplored. The volumetric incorporation of diamonds into the optical fiber core allows...
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A Series of Novel 3D Coordination Polymers Based on the Quinoline-2,4-dicarboxylate Building Block and Lanthanide(III) Ions—Temperature Dependence Investigations
PublicationA series of novel 3D coordination polymers [Ln2(Qdca)3(H2O)x]yH2O (x = 3 or 4, y = 0–4) assembled from selected lanthanide ions (Ln(III) = Nd, Eu, Tb, and Er) and a non-explored quinoline- 2,4-dicarboxylate building block (Qdca2 = C11H5NO4 2) were prepared under hydrothermal conditions at temperatures of 100, 120, and 150 C. Generally, an increase in synthesis temperature resulted in structural transformations and the formation...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublicationAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Electronic structure calculations in electrolyte solutions: Methods for neutralization of extended charged interfaces
PublicationDensity functional theory (DFT) is often used for simulating extended materials such as infinite crystals or surfaces, under periodic boundary conditions (PBCs). In such calculations, when the simulation cell has non-zero charge, electrical neutrality has to be imposed, and this is often done via a uniform background charge of opposite sign (“jellium”). This artificial neutralization does not occur in reality, where a different...
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Detection and time/frequency analysis of electric fields in the ground
PublicationThis paper sets out to detect and characterize electric fields in the ground (such as stray current fields) using a tandem time/frequency method of signal analysis. Results were obtained from investigations performed in the presence of a generated electric field with controlled variable characteristics, and in the presence of an electric field generated by a tramline. The analysis of measurement registers was performed using Short‐Time...
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Cooperative control in production and logistics
PublicationClassical applications of control engineering and information and communication technology (ICT) in production and logistics are often done in a rigid, centralized and hierarchical way. These inflexible approaches are typically not able to cope with the complexities of the manufacturing environment, such as the instabilities, uncertainties and abrupt changes caused by internal and external disturbances, or a large number and variety...
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Compensation Topologies in IPT Systems: Standards, Requirements, Classification, Analysis, Comparison and Application
PublicationWireless power transfer devices are becoming more relevant and widespread. Therefore, an article is devoted to a review, analysis and comparison of compensation topologies for an inductive power transfer. A new classification of topologies is developed. A lot of attention is paid to the problems of the physical fundamentals of compensation work, standards, safety, and five main topology requirements. It is determined, that topologies...
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Experience based knowledge representation for Internet of Things and Cyber Physical Systems with case studies
PublicationCyber Physical Systems and Internet of Things have grown significant attention from industry and academia during the past decade. The main reason behind this interest is the capabilities of such technologies to revolutionize human life since they appear as seamlessly integrating classical networks, networked objects and people to create more efficient environments. However, enhancing these technologies with intelligent skills becomes...
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Identyfikacja i izolacja genu kodującego zaadaptowaną do zimna β-galaktozydazę Paracoccus sp. = Identification and izolation of the gene encoding cold-active β-galactosidase from paracoccus sp.
PublicationZaprezentowane badania były prowadzone u eehi wyizolowania ze środo¬wiska organizmu psychrofilnego, zdolnego do hydrolizy laktozy w niskiej tempe¬raturze, oraz zidentyfikowania genu kodującego (i-galaktozydazę zaadaptowaną do zimna.Poszukiwan gen został w izolowany z psychrofilnego szczepu autarkicz¬nego Paracoccus sp. 321). Na podstawie sekwencji nukleotydowej genu kodują¬cego fS-galaktozdaze ustalono skład aminokwasów),...
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Chromatographic behavior of a new hybrid type RP material containing silica bonded 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene
PublicationA novel 1,3-alternate 25,27-bis-[cyanopropyloxy]-26,28-bis-[3-propyloxy]-calix[4]arene-bonded silica gel stationary phase (CalixPrCN) was prepared and it's structure was confirmed by ATR-FTIR spectroscopy and elemental analysis. The CalixPrCN phase was characterized in terms of their surface coverage, hydrophobic selectivity, aromatic selectivity, shape selectivity, hydrogen bonding capacity, residue metal content, and silanol...
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Phase I and phase II metabolism simulation of antitumor-active 2-hydroxyacridinone with electrochemistry coupled on-line with mass spectrometry.
PublicationHere, 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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Polygons vs. clumps of discs: A numerical study of the influence of grain shape on the mechanical behaviour of granular materials
PublicationWe performed a series of numerical vertical compression tests on assemblies 01 20 granular material using a Discrete Element code and studied the results with regard to the grain shape. The samples consist of 5000 grains made from either 3 overlapping discs (clumps - grains with concavities) or six-edged polygons (convex grains). These two grain type have similar external envelope, which is a fund ion of a geometrical parameter...
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Novel approach to modeling spectral-domain optical coherence tomography with Monte Carlo method
PublicationNumerical modeling Optical Coherence Tomography (OCT) systems is needed for optical setup optimization, development of new signal processing methods and assessment of impact of different physical phenomena inside the sample on OCT signal. The Monte Carlo method has been often used for modeling Optical Coherence Tomography, as it is a well established tool for simulating light propagation in scattering media. However, in this method...
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TMSCl Promoted Acylation of Amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids - Elucidation of Mechanism.
PublicationRecently we have observed accelerating influence of trimethyl silyl chloride addition on the rate of the reactions of 5-(α-amino- α'-hydroxy)methylene Meldrum's Acids with amines, particularly in the case of highly basic amines. However the nature of the aforementioned process remain unexplained. In proposed communication we wish to report insightful elucidation of this mechanism. The reaction under investigation involves simply...