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Two-electron reduction of quinones by rat liver NAD(P)H:quinone oxidoreductase: quantitative structure–activity relationships
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Action-reaction based synthesis of acoustic wavefield equations
PublicationThe analysis of acoustic fields is usually based on the well-known mathematics of second order partial differential equations called wave equations. The author explores the duality and symmetry of linear fluid mechanics and develops two distinct equations of acoustics on the basis of a causal approach to local small-scale phenomena. Wavefields that are solutions of these equations have different composition, the spherical pressure...
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Quantum corrections to phi^4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are evaluated with account of rest d−1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of spacetime functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional integral...
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Quantum corrections to 4 model solutions and applications to Heisenberg chain dynamics
PublicationThe Heisenberg spin chain is considered in φ^4 model approximation. Quantum corrections to classical solutions of the one-dimensional φ^4 model within the correspondent physics are valuated with account of rest d − 1 dimensions of a d-dimensional theory. A quantization of the model is considered in terms of space- time functional integral. The generalized zeta-function formalism is used to renormalize and evaluate the functional...
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A comprehensive approach to double inverted pendulum modelling
PublicationThe problem of mathematical modelling and indication of properties of a DIP has been investigated in this paper. The aim of this work is to aggregate the knowledge on a DIP modelling using the Euler-Lagrange formalism in the presence of external forces and friction. To indicate the main properties important for simulation, model parameters identification and control system synthesis, analytical and numerical tools have been used....
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Zastosowanie gramatyk grafowych do rozpoznawania i interpretacji diagramów
PublicationW pracy przedstawiono formalizm gramatyk grafowych oraz jego wykorzystanie do rozpoznawania i interpretacji złożonych dwuwymiarowych struktur. Podano przykład zastosowania gramatyki grafowej do interpretacji schematów blokowych, formułując specyficzne dla nich reguły produkcji. Pokazano też możliwość zastosowania gramatyk grafowych do wspomagania procesu rozpoznawania oraz interpretacji partytur muzycznych
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UWARUNKOWANIA APLIKACYJNE KONCEPCJI PUNKTÓW STEROWANIA JAKOŚCIĄ NA PRZYKŁADZIE USŁUG PRALNICZYCH
PublicationW artykule tym zaprezentowano charakterystykę procesu w profesjonalnej pralni chemicznej. Jako cel przyjęto identyfikację i opis zasadniczych punktów sterowania jakością (PSJ) w tego typu procesach. Przedstawiono też informacje, jak działania formalizujące PSJ przełożyły się na efekty konkretnej organizacji świadczącej usługi pralnicze
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Geometric Algebra Model of Distributed Representations
PublicationFormalism based on GA is an alternative to distributed representation models developed so far-Smolensky's tensor product, Holographic Reduced Representations (HRR) and Binary Spatter Code (BSC). Convolutions are replaced by geometric products, interpretable in terms of geometry which seems to be the most natural language for visualization of higher concepts. This paper recalls the main ideas behind the GA model and investigates...
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Reactions of Plasmodium falciparum Ferredoxin:NADP+ Oxidoreductase with Redox Cycling Xenobiotics: A Mechanistic Study
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Modelowanie reorganizacji ruchu w transporcie szynowym zwiększające efektywne wykorzystanie energii z hamowania odzyskowego
PublicationWe wstępie artykułu przedstawiono metody wykorzystania energii elektrycznej odzyskanej w procesie hamowania elektrodynamicznego. Szczególną uwagę zwrócono na metodę zwrotu odzyskanej energii do sieci jezdnej i wykorzystania jej przez inne pojazdy szynowe, której efektywne zastosowanie niejednokrotnie wymaga reorganizacji ruchu. W pracy przeanalizowano opisany w literaturze model organizacji ruchu w transporcie szynowym, który uwzględnia...
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Blurred quantum Darwinism across quantum reference frames
PublicationQuantum Darwinism describes objectivity of quantum systems via their correlations with their environment--information that hypothetical observers can recover by measuring the environments. However, observations are done with respect to a frame of reference. Here, we take the formalism of [Giacomini, Castro-Ruiz, & Brukner. Nat Commun 10, 494 (2019)], and consider the repercussions on objectivity when changing quantum reference...
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A correlation between electron-hole pair radii and magnetomodulation of exciplex fluorescence in electron donor-electron acceptor organic systems
PublicationElectric field dependencies of electromodulated photoluminescence and magnitudes of the magnetic-field effect on photoluminescence havebeen measured in vacuum-evaporated films of m-MTDATA [4,4',4"-tris(N-(3-methylphenyl)-N-phenylamino)triphenylamine]:bathophe-nanthroline, m-MTDATA:BCP (bathocuproine), as well as 4,4',4"-tris[2-naphthyl(phenyl)amino]triphenylamine:BCP. The Sano-Tachiya-Noolandi-Hong extension of standard Onsager...
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Aestheticization of Flowcharts
PublicationOne of the important issues of diagrams is their aesthetics. In this paper a method of its formalization for freehand drawn flowcharts is proposed. In order to formalize the evaluation of flowcharts' aesthetics a criterion consisting of several measures is proposed. Based on this criterion the algorithms for automatic optimization of flowcharts' appearance are proposed.
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Calculations of electron impact ionization cross section for simple biomolecules: formic and acetic acids
PublicationObliczono przekroje czynne na jednokrotną jonizację kwasu mrówkowego oraz kwasu octowego. Obliczenia przeprowadzono używając formalizmu BEB w zakresie energii od progu na jonizację do 400 eV. Wyniki porównano z dostępnymi danymi doświadczalnymi.
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Quantum-classical calculations of the nanomechanical properties of metals
PublicationTradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...
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Dirichlet-to-Neumann and Neumann-to-Dirichlet embedding methods for bound states of the Schrodinger equation.
PublicationPrzeformułowano metodę Inglesfielda, stosowaną do obliczania własności stanów związanych równania Schrodingera, stosując formalizm operatorów całkowych Dirichleta-do-Neumanna(DtN) i Neumanna-do-Dirichleta (NtD). Wykorzystano zasady wariacyjne dla energii dopuszczające użycie funkcji próbnych nieciągłych wraz z pochodnymi. Podano metodę konstrukcji jąder operatorów DtN i NtD za pomocą rozwiązań zagadnienia własnego typu Steklova....
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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Nitroreductase reactions of Arabidopsis thaliana thioredoxin reductase
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Redox reactions of the FAD-containing apoptosis-inducing factor (AIF) with quinoidal xenobiotics: A mechanistic study
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Towards a global historical emission inventory for selected PCB congeners - a mass balance approach. 3. An update
PublicationPoprzednie prace autorów zawierały bardzo istotne informacje do oceny stężeń związków polychlorobifenylowych (PCB) w rejonach oddalonych od dużych źródeł emisji tych związków jak i w środowisku globalnym. Okazało się, że niezbędna jest modyfikacja emisji PCB po roku 2000. Przedstawiono nowe dane o produkcji PCB w Polsce oraz nowe dane nt. składu chemicznego różnych produktów technicznych opartych na PCB. Ulepszono też metody oceny...
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Valence and lowest Rydberg electronic states of phenol investigated by synchrotron radiation and theoretical methods
PublicationWe present the experimental high-resolution vacuum ultraviolet (VUV) photoabsorption spectra of phenol covering for the first time the full 4.3–10.8 eV energy-range, with absolute cross sections determined. Theoretical calculations on the vertical excitation energies and oscillator strengths were performed using time-dependent density functional theory and the equation-of-motion coupled cluster method restricted to single and double...
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Effect of heat treatment on the diffusion intermixing and structure of the Cu thin film on Si (111) substrate: a molecular dynamics simulation study
PublicationThis work is devoted to the study of the diffusion process at the interface between copper films with a thickness of 2, 3, 4, 7 and 10 atomic monolayers and silicon substrate by molecular dynamics simulation method. For this purpose, the variation of the concentration of copper and silicon along the perpendicular direction to the interface was investigated. An analysis of the density profile along this direction made it possible...
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Structure-Activity Relationships in Two-Electron Reduction of Quinones
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Scalar and Vector acoustic fields and sources: a new look
PublicationA study of fundamental problems of the wavefields that are the reaction of fluid continuum on two kinds of primary actions in fluid, then on two kinds of elementary point sources, is presented in this paper, based on the assumption of the physical duality of linear fluid mechanics and the formal symmetry of mathematical description. The two fundamental wavefields generated in fluid by physical point sources are discussed in detail,...
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THE APPLICATION OF THE MECHANOCHEMICAL SYNTHESIS FOR THE PREPARATION OF ADVANCED CERAMICS BASED ON BARIUM TITANATE
PublicationIn the present study, the lead-free BaTi1-xZrxO3 (for x = 0, 0.05 and 0.15) ceramics were prepared by High-Energy Ball Milling and heat treatments. The performed X-ray, SEM and EDS measurements confirmed high purity, good quality and the expected quantitative composition of the obtained samples. The study of dielectric properties was performed by means of broadband dielectric spectroscopy at the frequency ranging from 0.1 Hz to...
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Experimentally feasible semi-device-independent certification of four-outcome positive-operator-valued measurements
PublicationRecently the quantum information science community devoted a lot of attention to the theoretical and practical aspects of generalized measurements, the formalism of all possible quantum operations leading to acquisition of classical information. On the other hand, due to imperfections present in quantum devices, and limited thrust to them, a trend of formulating quantum information tasks in a semi-device-independent manner emerged....
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Evaluation of affective intervention process in development of affect-aware educational video games
PublicationIn this paper initial experiences are presented on implementing specific methodology of affective intervention design (AFFINT) for development of affect-aware educational video games. In the described experiment, 10 student teams are to develop affect-aware educational video games using AFFINT to formalize the whole process. Although all projects are still in progress, first observations and conclusions may already be presented.
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Reduction of aliphatic nitroesters and N-nitramines by Enterobacter cloacae PB2 pentaerythritol tetranitrate reductase
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Antiplasmodial activity of quinones: Roles of aziridinyl substituents and the inhibition of Plasmodium falciparum glutathione reductase
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DT-diaphorase catalyzes N-denitration and redox cycling of tetryl
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Study of Bioreductive Anticancer Agent RH-1-Induced Signals Leading the Wild-Type p53-Bearing Lung Cancer A549 Cells to Apoptosis
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Dynamical nonlocality in quantum time via modular operators
PublicationWe formalize the concept of the modular energy operator within the Page and Wootters timeless framework. As a result, this operator is elevated to the same status as the more studied modular operators of position and momentum. In analogy with dynamical nonlocality in space associated with the modular momentum, we introduce and analyze the nonlocality in time associated with the modular energy operator. Some applications of our...
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Dynamics of Chains as a Tool to Study Thermomechanical Properties of Proteins.
PublicationPolymer dynamics can be formulated on different levels of detail. One approach eliminates microscopic degrees of freedom and a polymer molecule is represented by a simplified structure—a chain. In the simplest case monomers of ideal chain have fixed length, and their orientation is independent of the orientations and positions of neighbouring monomers. This is reason that two monomers can co-exist at the same place. Ideal chain...
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The hydration properties of protein stabilizer, trimethylamine-N-oxide in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 and 308.15 K
PublicationApparent molar volumes and apparent molar isentropic compressions of the protein stabilizer, trimethylamine-N-oxide (TMAO) were determined from the densities and speed of sound measured at T = (288.15, 298.15 and 308.15) K in aqueous solutions of N-methylacetamide (NMA) at four different concentrations (2, 4, 6 and 8 mol/kg). The concentration dependencies of the calculated quantities extrapolated to the infinite dilution lead...
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Quantitative proteomic analysis of anticancer drug RH1 resistance in liver carcinoma
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Cytotoxicity of RH1 and related aziridinylbenzoquinones: involvement of activation by NAD(P)H:quinone oxidoreductase (NQO1) and oxidative stress
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Quinone- and nitroreductase reactions of Thermotoga maritima peroxiredoxin–nitroreductase hybrid enzyme
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Preliminary Investigation of the Antibacterial Activity of Antitumor Drug 3-Amino-1,2,4-Benzotriazine-1,4-Dioxide (Tirapazamine) and its Derivatives
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Ontologie vs. reguły — porównanie metod reprezentacji wiedzy na przykładzie dziedziny zarządzania usługami informatycznymi
PublicationTekst stanowi krótki przegląd wybranych konstrukcji służących reprezentacji wiedzy w postaci ontologii opartych na logice opisowej i porównanie ich z odpowiednikami opartymi na zapisie regułowym. Z powodu ograniczonej liczby stron pokazano tylko elementy związane z reprezentacją konceptów, bez uwzględniania ról. Do zapisu ontologii wykorzystano formalizmy języka OWL, zaś reguły wyrażono w Prologu. Dla lepszego zilustrowania tych...
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Model optymalizacyjny doboru głównych parametrów układu napędowego okrętu z kompromisową śrubą o stałym skoku
PublicationPraca zawiera sformułowania modeli matematycznych przydatnych do budowy algorytmu obliczeniowego, służącego do wstępnego wyznaczania parametrów układu napędowego okrętu ze śrubami o skoku stałym, w przypadku zadania niestandardowego - gdy charakterystyki oporu kadłuba są zmienne. Argumentami modeli są te parametry okrętu które identyfikowane są na etapie projektowania wstępnego. Struktura prezentowanych modeli spełnia formalizm...
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Dysfunctional prefrontal cortical network activity and interactions following cannabinoid receptor activation.
PublicationCoordinated activity spanning anatomically distributed neuronal networks underpins cognition and mediates limbic-cortical interactions during learning, memory, and decision-making. We used CP55940, a potent agonist of brain cannabinoid receptors known to disrupt coordinated activity in hippocampus, to investigate the roles of network oscillations during hippocampal and medial prefrontal cortical (mPFC) interactions in rats. During...
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A first-principles study of electronic and magnetic properties of 4d transition metals doped in Wurtzite GaN for spintronics applications
PublicationWe studied the electronic and magnetic properties of wurtzite GaN (w-GaN) doped with different concentrations of the 4d transition metal ions Nb, Mo, and Ru. We incorporated spin-polarized plane-wave density functional theory within an ultrasoft pseudopotential formalism. The 4d transition metals were doped at different geometrical sites to determine the geometry with the lowest total energy and the one that induced the largest...
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Quantitative Structure–Activity Relationships in Two-Electron Reduction of Nitroaromatic Compounds by Enterobacter cloacae NAD(P)H:Nitroreductase
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Two-electron reduction of quinones by Enterobacter cloacae NAD(P)H:nitroreductase: quantitative structure-activity relationships
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ENTERPRISE ACTIVITIES MODELING BY BPMN NOTATION
PublicationDepending on the process behavior, available know-how and organizational goals, different techniques and tools can be used for business process modeling. We concentrate on e-commerce, and try to find the best marketing strategy for the sales process improvement. In the paper we present the multilayer approach to define enterprise scenarios. This allows us to collect the suitable knowledge necessary for enterprise analysis and improvement....
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Analiza odręcznych schematów blokowych z oceną ich estetyki
PublicationKsiążka dotyczy problematyki rozpoznawania, analizy i estetyzacji ręcznie rysowanych diagramów. W szczególności skupiono się na schematach blokowych. W książce poruszono trzy główne grupy zagadnień: przetwarzania wstępnego, segmentacji i rozpoznawania obrazów, automatycznej analizy i interpretacji schematów z wykorzystaniem podejścia lingwistycznego i formalizmu gramatyk grafowych oraz zagadnienia związane z oceną estetyki prezentowania...
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Automatic Regularization by Quantization in Reducible Representations of CCR: Point-Form Quantum Optics with Classical Sources
PublicationElectromagnetic fields are quantized in a manifestly covariant way by means ofa class of reducible "center-of-mass N-representations" of the algebra of canonical commutationrelations (CCR). The four-potential Aa(x) transforms in these representations as aHermitian four-vector field in Minkowski four-position space (without change of gauge), butin momentum space it splits into spin-1 massless photons and two massless scalars. Whatwe...
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Modeling of generator performance of BLDC machine using mathematica software
PublicationW artykule porównano trzy modele maszyny bezszczotkowej prądu stałego z magnesami trwałymi(BLDC) w przypadku pracy prądnicowej. Najprostszy model qd0 sprowadzono do dwóch osi prostopadłychzwiązanych z wirnikiem [3]. Zakłada on sinusoidalny rozkład pola w szczelinie. Model opisany wosiach naturalnych wyprowadzono w oparciu o formalizm Lagrnage'a [4] i moŜe uwzględniać dowolnyrozkład pola wzbudzonego przez magnesy trwałe. Model pośredni...
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Ontologies vs. Rules — Comparison of Methods of Knowledge Representation Based on the Example of IT Services Management
PublicationThis text provides a brief overview of selected structures aimed at knowledge representation in the form of ontologies based on description logic and aims at comparing them with their counterparts based on the rule-based approach. Due to the limitations on the length of the article, only elements associated with the representation of concepts could be shown, without including roles. The formalisms of the OWL language were used...
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Antiplasmodial Activity of Nitroaromatic Compounds: Correlation with Their Reduction Potential and Inhibitory Action on Plasmodium falciparum Glutathione Reductase
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