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Wyniki wyszukiwania dla: DENSITY FUNCTIONAL THEORY
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Kombucha from alternative raw materials – The review
PublikacjaNowadays, people's awareness about the role of diet in maintaining well-being and good health has increased. Consumers expect that the products not only provide them with essential nutrients but will also be a source of biologically active substances, which are beneficial to their health. One of the "healthy trends," which has appeared among the consumers worldwide is kombucha, a tea drink with high antioxidant potential, obtained...
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Determinants of Directionality and Efficiency of the ATP Synthase Fo Motor at Atomic Resolution
PublikacjaFo subcomplex of ATP synthase is a membrane-embedded rotary motor that converts proton motive force into mechanical energy. Despite a rapid increase in the number of high-resolution structures, the mechanism of tight coupling between proton transport and motion of the rotary c-ring remains elusive. Here, using extensive all-atom free energy simulations, we show how the motor’s directionality naturally arises from the interplay...
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Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ
PublikacjaBa1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is...
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Preparation of Hydrogen Electrodes of Solid Oxide Cells by Infiltration: Effects of the Preparation Procedure on the Resulting Microstructure
PublikacjaIn this work, the infiltration technique was used to produce hydrogen electrodes for solid oxide cells. Different infiltration methodologies were tested in order to try to shorten the infiltration cycle time. The porous scaffolds used for infiltration were based on highly porous yttria-stabilized zirconia (YSZ) obtained by etching the reduced nickel from the Ni-YSZ cermet in HNO3 acid. The support had a complex structure which...
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Development of Strategies for AOB and NOB Competition Supported by Mathematical Modeling in Terms of Successful Deammonification Implementation for Energy-Efficient WWTPs
PublikacjaNovel technologies such as partial nitritation (PN) and partial denitritation (PDN) could be combined with the anammox-based process in order to alleviate energy input. The former combination, also noted as deammonification, has been intensively studied in a frame of lab and full-scale wastewater treatment in order to optimize operational costs and process efficiency. For the deammonification process, key functional microbes include...
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Andrzej Okuniewski dr inż.
OsobyWykształcenie 2010-2014: Katedra Chemii Nieorganicznej, Wydział Chemiczny, Politechnika Gdańskadoktor nauk chemicznych (nauki chemiczne – chemia, chemia nieorganiczna) 2009-2010: Wydział Chemiczny, Politechnika Gdańskamagister chemii (chemia stosowana) 2005-2009: Wydział Chemiczny, Politechnika Gdańskainżynier chemik (chemia stosowana) 2002-2005: II Liceum Ogólnokształcące im. Władysława Pniewskiego w Gdańskuprofil biologiczno-chemiczno-fizyczny...
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Cascading transitions toward unconventional charge density wave states in the quasi-two-dimensional monophosphate tungsten bronze P4W16O56
PublikacjaSingle crystals of the m = 8 member of the low-dimensional monophosphate tungsten bronzes (PO2)4(WO3)2m family were grown by chemical vapour transport technique and the high crystalline quality obtained allowed a reinvestigation of the physical and structural properties. Resistivity measurements revealed three anomalies at TC1 = 258 K, TC2 = 245 K and TC3 = 140 K, never observed until now. Parallel X-ray diffraction investigations...
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Fine-Tuning the Photocatalytic Activity of the Anatase {1 0 1} Facet through Dopant-Controlled Reduction of the Spontaneously Present Donor State Density
PublikacjaThe present study highlights the importance of the net density of charge carriers at the ground state on photocatalytic activity of the faceted particles, which can be seen as a highly underexplored problem. To investigate it in detail, we have systematically doped {1 0 1} enclosed anatase nanoparticles with Gd3+ ions to manipulate the charge carrier concentration. Furthermore, control experiments using an analogical Nb5+ doped...
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Control theory methods in diagnostic system design
PublikacjaPraca dotyczy zastosowania wybranych metod teorii sterowania do syntezy al-gorytmów detekcji uszkodzeń. Algorytmy takie, stanowiące istotną gałąźwspółczesnej diagnostyki technicznej obiektów dynamicznych, w swej istocieopierają się na rozwiązaniach odpowiednich zadań odpornego wyznaczania wek-torów resztowych, czyli ważonych błędów oszacowań wyjściadanego obiektu dy-namicznego (nadzorowanego procesu). Na treść pracy...
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Thermodynamically consistent nonlocal theory of ductile damage
PublikacjaPrzedstawiono termodynamicznie zgodną, słabo-nielokalną teorię zniszczenia plastycznego. Wykorzystano klasyczne dynamiczne zasady zachowania pędu i momentu pędu w przestrzeni fizycznej i materialnej. Przyjęto równania konstytutywne i zdefiniowano ich niezmienniczą formę i termodynamicznie dopuszczalną postać. Wykazano, że fizyczne i materialne siły i naprężenia składają się z dwóch części, niedyssypatywnego składnika otrzymanego...
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Statistical theory of component overlap in multicomponent chromatograms
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Module structure in Conley theory with some applications
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On the Nielsen fixed point theory for multivalued mappings
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Connection matrix theory for discrete dynamical systems
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Direct laser interference patterning: theory and application
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Bipartite theory of graphs: outer-independent domination
PublikacjaLet $G = (V,E)$ be a bipartite graph with partite sets $X$ and $Y$. Two vertices of $X$ are $X$-adjacent if they have a common neighbor in $Y$, and they are $X$-independent otherwise. A subset $D \subseteq X$ is an $X$-outer-independent dominating set of $G$ if every vertex of $X \setminus D$ has an $X$-neighbor in $D$, and all vertices of $X \setminus D$ are pairwise $X$-independent. The $X$-outer-independent domination number...
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Morse inequalities via Conley index theory
PublikacjaThe relation known as the Morse inequalities can be extended to a more general setting of flows on a locally compact metric spaces (Conley index) as well as dynamical systems on Hilbert spaces (LS-index). This paper is a discourse around this extension. Except the part concerning the LS-index the material is self-contained and has a character of a survey.
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Services Marketing Influence On Marketing Theory Evolution,
PublikacjaThe discovery of differences between tangible goods and services in the 1970s was one of the most landmark moments in the history of marketing with an emphasis being shifted to the need for using different/diversified marketing activities while dealing with various industries and types of products. The objective of this article is to briefly characterise the evolution of the marketing thought and to present the crucial influence...
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Scenarios in regional planning – theory and practice in Poland
PublikacjaAbstract. It is important to recognise future conditions in planning because it primes future actions. Scenarios are useful prognostic tools, especially when the social and institutional behaviour plays a crucial role. The aims of the paper are: (1) to indicate the roles and the place of scenarios in the strategic plan building process; (2) to analyse and evaluate the application of scenarios in regional planning in Poland; (3)...
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Coarse-Grained Models of Proteins: Theory and Applications
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The solidarity economy alternative: emerging theory and practice
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Nonlinear resultant theory of shells accounting for thermodiffusion
PublikacjaThe complete nonlinear resultant 2D model of shell thermodiffusion is developed. All 2D balance laws and the entropy imbalance are formulated by direct through-the-thickness integration of respective 3D laws of continuum thermodiffusion. This leads to a more rich thermodynamic structure of our 2D model with several additional 2D fields not present in the 3D parent model. Constitutive equations of elastic thermodiffusive shells...
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Game Theory Analysis of Bidding for a Construction Contract
PublikacjaThe authors are concerned with a bidding problem. There are two companies (P1 and P2) bidding for a highway construction project. In order to be more competitive, P1 considers buying a new gravel pit near the construction site. The basic cost of the pit is known to both companies. However, there is also an additional, hidden, cost (C) known only to P1. P2 is uncertain whether the hidden cost is C = 0 or C = x. P1 plans to bid for...
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A Universal Theory of Wisdom . A Mind - oriented Approach
PublikacjaThe purpose of the paper is to synthesize the issues of human wisdom in terms of minds which create knowledge-based judgment. We form a transdisciplinary, big-picture view of the wisdom of humans. Findings: Wisdom is the right judgment and choice in the context of the art of living. Practical implications: Wisdom can be developed within the set of minds. Social implications: To pursue wisdom in thinking and action, one must extend...
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A new hyperbolic-polynomial higher-order elasticity theory for mechanics of thick FGM beams with imperfection in the material composition
PublikacjaA drawback to the material composition of thick functionally graded materials (FGM) beams is checked out in this research in conjunction with a novel hyperbolic‐polynomial higher‐order elasticity beam theory (HPET). The proposed beam model consists of a novel shape function for the distribution of shear stress deformation in the transverse coordinate. The beam theory also incorporates the stretching effect to present an indirect...
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Assesment of operation of ship main diesel engine using the theory of semi-markovian and markov processes.
PublikacjaTo precisely determine the task it is necessary to specify also its duration time, apart from conditions in which it will be realized. When considering propulsion engine, i.e. the main element of ship propulsion system, especially important becomes not only the problem which amount of energy could be at one's disposal but also within which time interval it could be delivered. Therefore apart from applying the commonly used reliability...
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HYGRO-MAGNETIC VIBRATION OF THE SINGLE-WALLED CARBON NANOTUBE WITH NONLINEAR TEMPERATURE DISTRIBUTION BASED ON A MODIFIED BEAM THEORY AND NONLOCAL STRAIN GRADIENT MODEL
PublikacjaIn this study, vibration analysis of single-walled carbon nanotube (SWCNT) has been carried out by using a refined beam theory, namely one variable shear deformation beam theory. This approach has one variable lesser than a contractual shear deformation theory such as first-order shear deformation theory (FSDT) and acts like classical beam approach but with considering shear deformations. The SWCNT has been placed in an axial or...
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Bending analysis of functionally graded nanoplates based on a higher-order shear deformation theory using dynamic relaxation method
PublikacjaIn this paper, bending analysis of rectangular functionally graded (FG) nanoplates under a uniform transverse load has been considered based on the modified couple stress theory. Using Hamilton’s principle, governing equations are derived based on a higher-order shear deformation theory (HSDT). The set of coupled equations are solved using the dynamic relaxation (DR) method combined with finite difference (FD) discretization technique...
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Density, sound velocity, viscosity, and refractive index of new morpholinium ionic liquids with amino acid-based anions: Effect of temperature, alkyl chain length, and anion
PublikacjaIn this work, room temperature synthesis of twenty new ionic liquids (ILs) based on the N-alkyl-N-methylmorpholinium ([Mor1,R], R = 2, 3, 4, 6, 8) cation and N-acetyl-L-amino acid anions (L-alaninate, L-valinate, L-leucinate, L-isoleucinate) was described. The synthesized ILs were characterized by various spectroscopic techniques and high-resolution mass spectrometry. Furthermore, density (ρ), sound velocity (v), viscosity (η)...
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Damped forced vibration analysis of single-walled carbon nanotubes resting on viscoelastic foundation in thermal environment using nonlocal strain gradient theory
PublikacjaIn this paper, the damped forced vibration of single-walled carbon nanotubes (SWCNTs) is analyzed using a new shear deformation beam theory. The SWCNTs are modeled as a flexible beam on the viscoelastic foundation embedded in the thermal environment and subjected to a transverse dynamic load. The equilibrium equations are formulated by the new shear deformation beam theory which is accompanied with higher-order nonlocal strain...
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Nonlinear FEM 2D failure onset prediction of composite shells based on 6-parameter shell theory
PublikacjaWithin the framework of the nonlinear 6-parameter shell theory with the drilling rotation and asymmetric stress measures, the modifications of Tsai-Wu and Hashin laminate failure initiation criteria are proposed. These improvements enable to perform first ply failure estimations taking into account the non-symmetric stress measures. In order to check the validity of the proposed criteria, finite element analyses are performed with...
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Differential Quadrature Method for Dynamic Buckling of Graphene Sheet Coupled by a Viscoelastic Medium Using Neperian Frequency Based on Nonlocal Elasticity Theory
PublikacjaIn the present study, the dynamic buckling of the graphene sheet coupled by a viscoelastic matrix was studied. In light of the simplicity of Eringen's non-local continuum theory to considering the nanoscale influences, this theory was employed. Equations of motion and boundary conditions were obtained using Mindlin plate theory by taking nonlinear strains of von Kármán and Hamilton's principle into account. On the other hand, a...
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Antiperiodic boundary value problems for functional differential equations
PublikacjaRównania różniczkowo funkcyjne z antyokresowymi warunkami brzegowymi są przedmiotem rozważań tej pracy. Podane zostały warunki dostateczne na istnienie jedynego rozwiązania, które jest granicą dwóch monotonicznych ciągów. Szybkość tej zbieżności jest również określona. Metoda dowodzenia oparta jest na metodzie kwasilinearyzacji. Otrzymano również pewne wyniki dotyczące problemów liniowych.
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Periodic boundary value problems for functional differential equations
PublikacjaPrzedmiotem badań były równania różniczkowo-funkcyjne dość ogólnej postaci z warunkami brzegowymi typu okresowego. Podano warunki dostateczne na istnienie jedynego rozwiązania (zerowego) odpowiedniego zagadnienia liniowego z okresowymi warunkami brzegowymi. Te wyniki zostały wykorzystane aby pokazać, że odpowiednio skonstruowane ciągi monotoniczne są jednostajnie zbieżne do jedynego, w pewnym segmencie, rozwiązania zagadnienia...
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Boundary value problems for systems of functional differential equations
PublikacjaPraca dotyczy przybliżonych rozwiązań zagadnienia brzegowego dla funkcyjnych równań różniczkowych 2-go rzędu. Podano numeryczne algorytmy na wyznaczenie tego rozwiązania i warunki dostateczne, przy których metoda jest zgodna i zbieżna. Podano też konstrukcję metody dowolnego rzędu.
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Nonlocal problems for functional partial differential equations of firstorder
PublikacjaRozważa się istnienie uogólnionych rozwiązań nielokalnych problemów dla quasiliniowych i nieliniowych równań różniczkowo-funkcyjnych cząstkowych pierwszego rzędu. Dowody twierdzeń bazują na metodzie bicharakterystyk i metodzie kolejnych przybliżeń.
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Quasilinearization methods for nonlinear parabolic equations with functional dependence
PublikacjaRozważamy problem Cauchy`ego dla nieliniowych równań parabolicznych z zależnością funkcyjną. Dowodzimy twierdzeń o szybkiej zbieżności ciągów kolejnych przybliżeń określonych w metodzie quasilinearyzacji w dwóch przypadkach: (i) argumentem funkcyjnym jest funkcja niewiadoma, (ii) zależność funkcyjna dotyczy również pochodnej funkcji niewiadomej.
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Waveform relaxation methods for periodic differential-functional systems.
PublikacjaPrzedmiotem badań były układy różniczkowo-funkcyjne z warunkiem okresowym.Prawą stronę układu z argumentem funkcyjnym przedstawiono w nowej formie wygodnej do stosowania metody relaksacyjnej ''waveform''. Podano warunki dostateczne (dyskutowano dwa typy takich warunków) przy których wyjściowy problem ma rozwiązanie i odpowiednie ciągi relaksacyjne są do niego zbieżne. Dyskutowano w szczegółach przedstawiony problem numeryczny...
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Implicit difference methods for parabolic functional differential equations.
PublikacjaPraca dotyczy przybliżania rozwiązań quasiliniowych parabolicznych równań różniczkowo-funkcyjnych za pomocą schematów różnicowych, uwikłanych ze względu na zmienną czasową. Wykonano pełną analizę zbieżności metod i pokazano na przykładzie, że nowe metody są istotnie lepsze od schematów jawnych. Dowód stabilności oparty jest na metodzie porównawczej z nieliniowymi oszacowaniami typu Perrona. Otrzymane wyniki można zastosować do...
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Functional safety and security assessment of the control and protection systems
PublikacjaW artykule zostały poruszone kluczowe aspekty integracji podejścia bezpieczeństwa funkcjonalnego ''safety'' i ochrony informacji ''security'' w rozproszonych systemach sterowania i zabezpieczeniowych. Próba integracji zagadnień ''safety'' @ ''security'' została zilustrowana na przykładzie systemu monitoringu i zabezpieczeń pracującego w obiekcie podwyższonego ryzyka.
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Heart rate variability and functional outcome in ischemic stroke
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Non-disjoint functional decomposition of index generation functions
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POLISH CONSUMERS’ AWARENESS AND KNOWLEDGE ABOUT FUNCTIONAL FOOD
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Numerical methods for systems of nonlinear differential functional equations
PublikacjaPraca dotyczy zagadnień początkowo brzegowych dla nieliniowych układów różniczkowo funkcyjnych. Rozważana jest aproksymacja rozwiązań rozważanego problemu różniczkowo funkcyjnego przez rozwiązania odpowiedniego problemu różnicowego. W pracy analizowana jest zbieżność prezentowanych metod. Dowód zbieżności opiera się na technice porównawczej z nieliniowym oszacowaniem typu Perron'a dla danych operatorów.
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Bioactive and biodegradable cotton fabrics produced via synergic effect of plant extracts and essential oils in chitosan coating system
PublikacjaFunctional antibacterial textile materials are in great demand in the medical sector. In this paper, we propose a facile, eco-friendly approach to the design of antibacterial biodegradable cotton fabrics. Cotton fiber fabrics were enhanced with a chitosan coating loaded with plant extracts and essential oils. We employed Fourier-transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS), UV–Vis spectrophotometry, optical...
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Mangiferin: A comprehensive review on its extraction, purification and uses in food systems
PublikacjaWith the target of fabricating healthier products, food manufacturing companies look for natural-based nutraceuticals that can potentially improve the physicochemical properties of food systems while being nutritive to the consumer and providing additional health benefits (biological activities). In this regard, Mangiferin joins all these requirements as a potential nutraceutical, which is typically contained in Mangifera indica...
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Color prediction from first principle quantum chemistry computations: a case of alizarin dissolved in methanol
PublikacjaThe electronic spectrum of alizarin (AZ) in methanol solution was measured and used as reference data for color prediction. The visible part of the spectrum was modelled by different DFT functionals within the TD-DFT framework. The results of a broad range of functionals applied for theoretical spectrum prediction were compared against experimental data by a direct color comparison. The tristimulus model of color expressed in terms...
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IR-THERMAL IMAGING IN CARDIOSURGERY
PublikacjaA method for monitoring the state of the myocardium during cardiosurgical interventions based on thermal IR imaging is presented. These methods called Static Thermography and Active Dynamic Thermography (ADT) uses information about distribution of temperature on the surface and an external excitation source to induce thermal transient processes in a tested object. Recording time series of thermograms allows to calculate parametric...
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublikacjaDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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A CMOS Pixel With Embedded ADC, Digital CDS and Gain Correction Capability for Massively Parallel Imaging Array
PublikacjaIn the paper, a CMOS pixel has been proposed for imaging arrays with massively parallel image acquisition and simultaneous compensation of dark signal nonuniformity (DSNU) as well as photoresponse nonuniformity (PRNU). In our solution the pixel contains all necessary functional blocks: a photosensor and an analog-to-digital converter (ADC) with built-in correlated double sampling (CDS) integrated together. It is implemented in...