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Wyniki wyszukiwania dla: Classical MD
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Thermodynamic Studies of Interactions between Sertraline Hydrochloride and Randomly Methylated β-Cyclodextrin Molecules Supported by Circular Dichroism Spectroscopy and Molecular Docking Results
PublikacjaThe interaction between sertraline hydrochloride (SRT) and randomly methylated β-cyclodextrin (RM β CD) molecules have been investigated at 298.15 K under atmospheric pressure. The method used—Isothermal Titration Calorimetry (ITC) enabled to determine values of the thermodynamic functions like the enthalpy (DH), the entropy (DS) and the Gibbs free energy (DG) of binding for the examined system. Moreover, the stoichiometry coefficient...
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Equivalent single-layer models in deformation analysis of laminated multilayered plates
PublikacjaThe performance of selected Equivalent Single-Layer (ESL) models is evaluated within several classical benchmark tests for linear static analysis of multi-layered plates. The authors elaborated their own Finite Element software based on the first-order shear deformation theory (FOSD) with some modifications incorporated including a correction of the transverse shear stiffness and an application of zig-zag type functions. Seven...
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Formulation of Time-Fractional Electrodynamics Based on Riemann-Silberstein Vector
PublikacjaIn this paper, the formulation of time-fractional (TF) electrodynamics is derived based on the Riemann-Silberstein (RS) vector. With the use of this vector and fractional-order derivatives, one can write TF Maxwell’s equations in a compact form, which allows for modelling of energy dissipation and dynamics of electromagnetic systems with memory. Therefore, we formulate TF Maxwell’s equations using the RS vector and analyse their...
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Living Mulch with Selected Herbs for Soil Management in Organic Apple Orchards
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Md Shatil Islam Shanto BSc in Aeronautical Engineering
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Biodegradable polymers for food packaging - factors influencing their degradation and certification types - a comprehensive review
PublikacjaIn the paper an overview of novel biodegradable polymers for food packaging can be found. The aim was to present factors influencing polymer degradation and biodegradation in various environments. It was noted that biodegradable polymers are imperfect alternative for classical polymers and its decomposition strongly depends on degradation environment.
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Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublikacjaFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublikacjaWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Generalization of Kramers-Krönig relations for evaluation of causality in power-law media
PublikacjaClassical Kramers-Krönig (K–K) relations connect real and imaginary parts of the frequency-domain response of a system. The K–K relations also hold between the logarithm of modulus and the argument of the response, e.g. between the attenuation and the phase shift of a solution to a wave-propagation problem. For square-integrable functions of frequency, the satisfaction of classical K–K relations implies causality in the time domain....
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Rediscovering Automatic Detection of Stuttering and Its Subclasses through Machine Learning—The Impact of Changing Deep Model Architecture and Amount of Data in the Training Set
PublikacjaThis work deals with automatically detecting stuttering and its subclasses. An effective classification of stuttering along with its subclasses could find wide application in determining the severity of stuttering by speech therapists, preliminary patient diagnosis, and enabling communication with the previously mentioned voice assistants. The first part of this work provides an overview of examples of classical and deep learning...
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Measurements of relative frequency instability
PublikacjaFrequency constancy can be determined by the change in time for the subsequent periods. The article shows that classical the method of digital period measurement is not suitable for the measurement process. Therefore, a method using an integrating circuit is being proposed. Errors in the measurement of the given method have been analyzed.
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Dariusz Dobrowolski MD, PhD
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Joanna Jassem-Bobowicz MD, PhD
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Piotr Kosiorek MD, PhD
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Regina Podlasin MD, PhD
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Tomasz Szadejko MD Engineer
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Generalized Dobrushin Coefficients on Banach Spaces
PublikacjaThe asymptotic behavior of iterates of bounded linear operators (not necessarily positive), acting on Banach spaces, is studied. Through the Dobrushin ergodicity coefficient, we generalize some ergodic theorems obtained earlier for classical Markov semigroups acting on L1 (or positive operators on abstract state spaces).
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Squashed entanglement for multipartite states and entanglement measures based on the mixed convex roof
PublikacjaNew measures of multipartite entanglement are constructedbased on two definitions of multipartite information anddifferent methods of optimizing over extensions of the states. Oneis a generalization of the squashed entanglement where one takesthe mutual information of parties conditioned on the state's extensionand takes the infimum over such extensions. Additivity ofthe multipartite squashed entanglement is proved for both versionsof...
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Liquid–phase microextraction: A review of reviews
PublikacjaSample preparation is an important step in chemical analysis. It is generally done to deal with problems associated with the nature of the matrix, low analyte concentrations in real samples or analyte features incompatible with the instrumentation. Classical methods of extraction consume large volumes of hazardous solvents and other reagents and are not in line with the recent emergence of green analytical chemistry. Liquid-phase...
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A simple and efficient hybrid discretization approach to alleviate membrane locking in isogeometric thin shells
PublikacjaThis work presents a new hybrid discretization approach to alleviate membrane locking in isogeometric finite element formulations for Kirchhoff–Love shells. The approach is simple, and requires no additional dofs and no static condensation. It does not increase the bandwidth of the tangent matrix and is effective for both linear and nonlinear problems. It combines isogeometric surface discretizations with classical Lagrange-based...
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Searching by heterogeneous agents
PublikacjaIn this work we introduce and study a pursuit-evasion game in which the search is performed by heterogeneous entities. We incorporate heterogeneity into the classical edge search problem by considering edge-labeled graphs: once a search strategy initially assigns labels to the searchers, each searcher can be only present on an edge of its own label. We prove that this problem is not monotone even for trees and we give instances...
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A fast start-up of the organotrophic anammox process inoculated with constructed wetland sediment
PublikacjaOrganotrophic anaerobic ammonium oxidation (anammox) bacteria can utilize small volatile fatty acids with nitrate as electron acceptors with less energy consumption and no biomass production. To achieve a faster and stable start-up of organotrophic anammox process, in this study, the growth of organotrophic anammox bacteria seeded from hybrid constructed wetland (CW) sediment under different TOC/TN ratios and different chloramphenicol...
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A Low-Profile 3-D Printable Metastructure for Performance Improvement of Aperture Antennas
PublikacjaIn order to increase the radiation performance of aperture-type antennas, this paper demonstrates a low-profile, planar, single-layer, three-dimensional (3-D) printable metastructure. The proposed hybridized metastructure is highly transparent as it is made out of novel hybrid meta-atoms having transmission coefficient magnitudes greater than -0.72 dB and fully complies with the near-field phase transformation principle. The hybridized...
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Linear game non-contextuality and Bell inequalities—a graph-theoretic approach
PublikacjaWe study the classical and quantum values of a class of one-and two-party unique games, that generalizes the well-known XOR games to the case of non-binary outcomes. In the bipartite case the generalized XOR(XOR-d) games we study are a subclass of the well-known linear games. We introduce a 'constraint graph' associated to such a game, with the constraints defining the game represented by an edge-coloring of the graph. We use the...
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Joanna Ozimek WIMiO, BM II st., sem 2, niestacj., 2022/2023 l
Kursy Online.
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Local variance factors in deformation analysis of non-homogenous monitoring networks
PublikacjaThis paper proposes a modification of the classical deformation analysis algorithm for non-homogeneous (e.g. linear-angular) monitoring networks. The basis for the proposed solution is the idea of local variance factors. The theoretical discussion was complemented with an example of its application on a simulated horizontal monitoring network. The obtained results confirm the usefulness of the proposed solution.
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Searching by Heterogeneous Agents
PublikacjaIn this work we introduce and study a pursuit-evasion game in which the search is performed by heterogeneous entities. We incorporate heterogeneity into the classical edge search problem by considering edge-labeled graphs. In such setting a searcher, once a search strategy initially decides on the label of the searcher, can be present on an edge only if the label of the searcher and the label of the edge are the same. We prove...
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Quantum Steering Inequality with Tolerance for Measurement-Setting Errors: Experimentally Feasible Signature of Unbounded Violation
Publikacjauantum steering is a relatively simple test for proving that the values of quantum-mechanical measurement outcomes come into being only in the act of measurement. By exploiting quantum correlations, Alice can influence — steer — Bob ’ s physical system in a way that is impossible in classical mechanics, as shown by the violation of steering inequalities. Demonstrating this and similar quantum effects for systems of increasing size,...
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CPTU/DMT control of heavy tamping compaction of sands
PublikacjaHeavy tamping compaction method in cohesionless alluvial soil was evaluated with CPTU and DMT tests. Some examples of interpretation of soundings in pre-treated and compacted sands are given. The compaction work was performed in two stages. Compaction control was performed after each stage of tamping. Additional tests were performed two weeks after the compaction works completion to study the set-up effect. While typical increase...
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How proteins bind to DNA: target discrimination and dynamic sequence search by the telomeric protein TRF1
PublikacjaTarget search as performed by DNA-binding proteins is a complex process, in which multiple factors contribute to both thermodynamic discrimination of the target sequence from overwhelmingly abundant off-target sites and kinetic acceleration of dynamic sequence interrogation. TRF1, the protein that binds to telomeric tandem repeats, faces an intriguing variant of the search problem where target sites are clustered within short fragments...
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Problemy modelowania liczby podróży generowanych i absorbowanych na przykładzie Gdańska
PublikacjaJedną z podstawowych danych niezbędnych do planowania elementów systemu transportowego jest informacja o liczbie podróży odbywanych na analizowanym obszarze. Dane te uzyskiwane są najczęściej za pomocą symulacyjnych modeli transportowych. Jednym z istotnych elementów i pierwszym etapem najczęściej stosowanego, klasycznego modelu czterostopniowego jest modelowanie liczby podróży generowanych i absorbowanych, podczas którego to...
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Zero-Visibility Cops and Robber Game on a Graph
PublikacjaWe examine the zero-visibility cops and robber graph searching model, which differs from the classical cops & robber game in one way: the robber is invisible. We show that this model is not monotonic. We also provide bounds on both the zero-visibility copnumber and monotonic zero-visibility copnumber in terms of the pathwidth.
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POWER EFFICIENCY OF POWER PLANTS ON TRAILING SUCTION HOPPER DREDGERS
PublikacjaThis paper presents the notion of operational power efficiency and compares it with the classical definition of power efficiency. There are presented also calculation results of power efficiency for a selected suction hopper dredger and also influence of power system type of suction hopper dredger on magnitude of power efficiency of its power plant has been highlighted.
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Buckling of braced frames
PublikacjaIn this paper the classical Winter model, developed originally for columns is applied for frame structures and compared with the results of parametric study of frame with bracing. Sensitivity analysis of critical loads of frame due to bracing stiffness is carried out and the threshold bracing stiffness for full bracing is found. In the non-linear statical analysis the forces in bracings are calculated.
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Shub’s conjecture for smooth longitudinal maps of S^m
PublikacjaLet f be a smooth map of the m-dimensional sphere Sm to itself, preserving the longitudinal foliation. We estimate from below the number of fixed points of the iterates of f , reduce Shub’s conjecture for longitudinal maps to a lower dimensional classical version, and prove the conjecture in case m = 2 and in a weak form for m = 3.
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Nonadaptive estimation of the rotor speed in an adaptive full order observer of induction machine
PublikacjaThe article proposes a new method of reproducing the angular speed of the rotor of a cage induction machine designed for speed observers based on the adaptive method. In the proposed solution, the value of the angular speed of the rotor is not determined by the classical law of adaptation using the integrator only by an algebraic relationship. Theoretical considerations were confirmed by simulation and experimental tests.
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Unifying Aspects of Generalized Calculus
PublikacjaNon-Newtonian calculus naturally unifies various ideas that have occurred over the years in the field of generalized thermostatistics, or in the borderland between classical and quantum information theory. The formalism, being very general, is as simple as the calculus we know from undergraduate courses of mathematics. Its theoretical potential is huge, and yet it remains unknown or unappreciated.
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Experience based knowledge representation for Internet of Things and Cyber Physical Systems with case studies
PublikacjaCyber 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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Thermal and solutal performance of Cu/CuO nanoparticles on a non-linear radially stretching surface with heat source/sink and varying chemical reaction effects
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Developmental selenium exposure and health risk in daily foodstuffs: A systematic review and meta-analysis
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Information content of systems as a physical principle
PublikacjaTo explain the conceptual gap between classical and quantum and other, hypothetical descriptions of the world, several principles have been proposed. So far, all these principles have not explicitly included the uncertainty relation. Here we introduce an information content principle ( ICP ) which represents a constrained uncertainty principle. The principle, by taking into account the encoding and decoding properties of a single physical...
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Objectivity in the non-Markovian spin-boson model
PublikacjaObjectivity constitutes one of the main features of the macroscopic classical world. An important aspect of the quantum-to-classical transition issue is to explain how such a property arises from the microscopic quantum theory. Recently, within the framework of open quantum systems, there has been proposed such a mechanism in terms of the so-called spectrum broadcast structures. These are multipartite quantum states of the system...
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A probabilistic-driven framework for enhanced corrosion estimation of ship structural components
PublikacjaThe work proposes a probabilistic-driven framework for enhanced corrosion estimation of ship structural components using Bayesian inference and limited measurement data. The new approach for modelling measurement uncertainty is proposed based on the results of previous corrosion tests that incorporate the non-uniform character of the corroded surface of structural components. The proposed framework's basic features are outlined,...
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On some open questions for Ramsey and Folkman numbers
PublikacjaWe discuss some of our favorite open questions about Ramsey numbers and a related problem on edge Folkman numbers. For the classical two-color Ramsey numbers, we first focus on constructive bounds for the difference between consecutive Ramsey numbers. We present the history of progress on the Ramsey number R(5,5) and discuss the conjecture that it is equal to 43.
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Are the short cationic lipopeptides bacterial membrane disruptors? Structure-Activity Relationship and molecular dynamic evaluation
PublikacjaShort cationic lipopeptides are amphiphilic molecules that exhibit antimicrobial activity mainly against Grampositives. These compounds bind to bacterial membranes and disrupt their integrity. Here we examine the structure-activity relation (SAR) of lysine-based lipopeptides, with a prospect to rationally design more active compounds. The presented study aims to explain how antimicrobial activity of lipopeptides is affected by...
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The Backbone Coloring Problem for Small Graphs
PublikacjaIn this paper we investigate the values of the backbone chromatic number, derived from a mathematical model for the problem of minimization of bandwidth in radio networks, for small connected graphs and connected backbones (up to 7 vertices). We study the relationship of this parameter with the structure of the graph and compare the results with the solutions obtained using the classical graph coloring algorithms (LF, IS), modified...
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The influence of drying parameters on wood properties
PublikacjaThe influence of drying conditions on wood properties is presented. The classical approach was used to determine energetic effects (cutting forces and cutting power) of wood sawing process on the basis of the wood specific cutting resistance, material constant. Before mashining wood material (soft and hard) was dryied at various conditions using air at 25oC, air-steam meaxture at 80oC and steam at 110oC.
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Determination of the shape of the CFGFT cylindrical column based on laboratory tests
PublikacjaAnalyses were carried out on glass-fibre-reinforced polymer tube columns with reference to laboratory tests. The angles of the glass fibre beams were 20◦, 55◦ and 85◦. The study employed non-classical operational calculus. Various modulated harmonic signal shapes were considered for columns and tubes at buckling. The buckling loads were assessed and compared for different models.
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MIC/MBC values of the investigated extracts of propolis. Interactions of selected extracts with azoles and echinocandins.
Dane BadawczeThis dataset contains results of our investigation aiming in determination of antimicrobial potential of the propolis extracts produced in our laboratory. The propolis samples were delivered by Polish beekeepers. Moreover in this dataset we presented results of our investigation aiming in assessment of interaction of the selected extracts of propolis...
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Modeling of Composite Shells in 6-Parameter Nonlinear Theory with Drilling Degree of Freedom
PublikacjaWithin the framework of a 6-parameter nonlinear shell theory, with strain measures of Cosserat type, constitutive relations are proposed for thin elastic composite shells. The material law is expressed in terms of five engineering constants of classical anisotropic continuum plus an additional parameter accounting for drilling stiffness. The theory allows for unlimited displacements and rotations. A number of examples are presented...