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Search results for: density functional calculations
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The melatonin-producing system is fully functional in retinal pigment epithelium (ARPE-19)
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Functional Response of Chrysoperla Zastrowi Sillemi (Esben-Peterson) on Lipaphis erysimi (Keltenbach)
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Multi split functional model of geodetic observations in deformation analyses of the Olsztyn castle
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Effect of fermented and unfermented buckwheat flour on functional properties of gluten-free muffins
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Aortic stiffness is not only associated with structural but also functional parameters of retinal microcirculation
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Changes of augmentation index early after ischaemic stroke predict functional outcome
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Generalized solutions of mixed problems for first-order partial functional differential equations
PublicationW pracy udowodniono twierdzenie o istnieniu rozwiązań i ich ciągłej zależności od warunków początkowo brzegowych. Do przekształcenia zagadnienia oryginalnego w układ równań całkowo funkcyjnych typu Volterry użyto metody bicharakterystyk. Istnienie rozwiązań udowodnione jest metodą kolejnych przybliżeń, przy użyciu twierdzeń o nierównościach całkowych. Rozwiązania klasyczne układów równań całkowo funkcyjnych prowadzą do rozwiązań...
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Smart Growth – Is It a Fairy Tale or the Best Initiative for Polish Cities and Their Functional Regions?
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Almost homoclinic solutions for a certain class of mixed type functional differential equations
PublicationW pracy opisano pewną metodę aproksymacyjną szukania rozwiązań prawie homoklinicznych dla równań różniczkowo funkcyjnych z opóźnionym i przyśpieszonym argumentem. Podano również przykłady zastosowań tej metody.
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Delay dependent estimates for waveform relaxation methods for neutral differential-functional systems
PublicationW pracy dyskutowane są oszacowania błędów z uwzględnieniem ich zależności od opóźnienia dla metod typu ''waveform relaxations'' stosowanych do rozwiązywania układów równań różniczkowo-funkcyjnych typu Volterry i równań różniczkowo-algebraicznych. Oszacowania te służą do oceny szybkości zbieżności tych metod a w niektórych przypadkach do wykazania, że rozwiązanie dokładne otrzymuje się po skończonej liczbie iteracji.
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Non-Destructive Testing of the Longest Span Soil-Steel Bridge in Europe—Field Measurements and FEM Calculations
PublicationThe article describes interdisciplinary and comprehensive non-destructive diagnostic tests of final bridge inspection and acceptance proposed for a soil-steel bridge made of corrugated sheets, being the European span length record holder (25.74 m). As an effect of an original concept a detailed and precise information about the structure short-term response was collected. Periodic diagnostics of bridge deformations was done one...
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Conformational studies of [Nphe5]SFTI-1 by means of 2D NMR spectroscopy in conjunction with molecular dynamics calculations
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A Comparison of Model Calculations of Ice Thickness with the Observations on Small Water Bodies in Katowice Upland (Southern Poland)
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublicationW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Rotationally inelastic collisions of electrons with H2 and N2 molecules: converged space-frame calculations at low energies.
PublicationW pracy zostały obliczone przekroje czynne na rotacyjne wzbudzenia cząsteczek H2 i N2 w wyniku zderzeń z niskoenergetycznymi elektronami. Układ silnie sprzężonych równań został rozwiązany w laboratoryjnym układzie odniesienia przy pomocy algorytmu MVPA.
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Calculations of fracture process zones on meso-scale in notched concrete beams subjected to three-point bending.
PublicationW artykule przedstawiono wyniki numeryczne MES modelowanie belek betonowych z nacięciem na poziomie skali mezo. Beton został opisany na poziomie skali mezo jako stochastyczny materiał 3-składnikowy złożony z kruszywa, zaczynu cementowego oraz stref kontaktu. Obliczenia wykonano przy wykorzystaniu modelu degradacji sztywności z nielokalnym osłabieniem. Zbadano wpływ stochastycznego rozkładu kruszywa, średnicy, kształtu oraz zagęszczenia...
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Two-electron entanglement in a two-dimensional isotropic harmonic trap: Radial correlation effects in the low density limit
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Thermal performance of building envelopes with structural layers of the same density: Lightweight aggregate concrete versus foamed concrete
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Large-Scale and Low-Cost Motivation of Nitrogen-Doped Commercial Activated Carbon for High-Energy-Density Supercapacitor
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Effect of Compounding Conditions on Static and Dynamic Mechanical Properties of High Density Polyethylene/Ground Tire Rubber Blends
PublicationSearching for new and cost-effective methods of waste rubber recycling is a subject of research in many scientific centers in the world. In this paper there are presented results of the research of the extrusion process of cheap and environmentally friendly thermoplastic compositions containing 50 % wt. of masses of ground tire rubber (GTR). The aim of this study was to determine the relationship between the mixing conditions and...
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The effect of the annual growth and the late wood share upon density of the Polish pine wood as a function of its origin
PublicationW artykule przedstawiono zróżnicowanie gęstości polskiego drewna sosnowego (Pinus sylvestris L.) w zależności od udziału drewna późnego w przyroście rocznym z uwzględnieniem krainy pochodzenia drewna. Wspomniane zróżnicowanie jest w istotne statystycznie w skali globalnej oraz dla większości miejsc pochodzenia. Pomiar gęstości wykonano przy użyciu metody stereometrycznej. Metoda ta polegała na określeniu objętości pryzmy poprzez...
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Structural, functional, and stability change predictions in human telomerase upon specific point mutations,
PublicationOverexpression of telomerase is one of the hallmarks of human cancer. Telomerase is important for maintaining the integrity of the ends of chromosomes, which are called telomeres. A growing number of human disease syndromes are associated with organ failure caused by mutations in telomerase (hTERT or hTR). Mutations in telomerase lead to telomere shortening by decreasing the stability of the telomerase complex, reducing its accumulation,...
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Accurate, robust and harmonized implementation of morpho-functional imaging in treatment planning for personalized radiotherapy
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AQUA-DUCT 1.0: structural and functional analysis of macromolecules from an intramolecular voids perspective
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Application of Graph Theory Algorithms in Non-disjoint Functional Decomposition of Specific Boolean Functions
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Recovery of facial expressions using functional electrical stimulation after full-face transplantation
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Functional 3D-Printed Polymeric Materials with Metallic Reinforcement for Use in Cut-Resistant Gloves
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Effect of liquid-state fermentation on the antioxidant and functional properties of raw and roasted buckwheat flours
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Compensatory functional reorganization may precede hypertension-related brain damage and cognitive decline
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Human factor and functional Safety analysis = Czynniki ludzkie i analiza bezpieczeństwa funkcjonalnego
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Risk analysis and functional safety management = Analiza ryzyka i zarządzanie bezpieczeństwem funkcjonalnym
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Cross-linking of polymer films using phenol-formaldehyde resins with different functional groups
PublicationWell-know phenol-formaldehyde resins are used in the production of press-materials, glues, protective coating, mastics. They take a special place among known oligomers because the products based on them are characterized by a low cost and a series of positive properties. Aim of the work: to show the possibility to create polymeric films based on epoxy resins and modified phenol-formaldehyde resins, which contain unsaturated double...
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Spray-Dried Potato Juice as a Potential Functional Food Component with Gastrointestinal Protective Effects
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A Review of Progress in Histone Deacetylase 6 inhibitors Research: Structural Specificity and Functional Diversity.
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Functional relationships between phytochemicals and drying conditions during the processing of blackcurrant pomace into powders
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Amide/Amino-Based Functional Additives for Lubricants: Structure, Antimicrobial Activity and Wear Resistance
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Current challenges and methodological issues of functional safety and security management in hazardous technical systems
PublicationCelem artykułu jest zidentyfikowanie problemów oceny ryzyka w kontekście stosowania systemów elektrycznych / elektronicznych / programowalnych elektronicznych (E/E/PE) z uwzględnieniem aspektów bezpieczeństwa funkcjonalnego i zabezpieczeń (ochrony). Zadaniem rozwiązań bezpieczeństwa funkcjonalnego jest efektywne redukowanie ryzyka wychodząc z poziomu nieakceptowanego. Ryzyko jest definiowane jako kombinacja prawdopodobieństwa wystąpienia...
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Investigation of functional layers of solid oxide fuel cell anodes for synthetic biogas reforming
PublicationSolid oxide fuel cells (SOFCs) are one of the most promising energy conversion devices due to their high efficiency, low pollution and fuel flexibility. Unfortunately, when hydrocarbons are used as a fuel, for example in the form of a biogas, solid carbon can deposit on the anode surface. This process leads to the degradation of the fuel cell performance. A possible solution to this problem is to apply an additional catalytic material,...
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Runge-Kutta bicharacteristic methods for first order partial functional di- fferential equations
PublicationW pracy prezentujemy nową klasę metod numerycznych dla równań różniczkowo-funkcyjnych. Są to metody bicharakterystyk Rungego-Kutty. Ponadto porównuje-my wprowadzone metody z metodami klasycznymi.
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Bulk-Surface Modification of Nanoparticles for Developing Highly-Crosslinked Polymer Nanocomposites
PublicationSurface modification of nanoparticles with functional molecules has become a routine method to compensate for diffusion-controlled crosslinking of thermoset polymer composites at late stages of crosslinking, while bulk modification has not carefully been discussed. In this work, a highly-crosslinked model polymer nanocomposite based on epoxy and surface-bulk functionalized magnetic nanoparticles (MNPs) was developed. MNPs were...
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Modernization of historic healthcare buildings
PublicationThe practice of transforming and adapting the existing healthcare facilities to meet the growing demands of modern medicine applies not only to buildings of historical value. Of course, one can set a time point from which hospitals, erected mostly with industrialized technologies, undergo upgrades for better or worse effect. Existing healthcare buildings or facilities, including historic ones, have to be refurbished and adapted...
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Machining process sequencing and machine assignment in generative feature-based CAPP for mill-turn parts
PublicationProcess selection and sequencing, as one of the most complex issues when evaluated from a mathematical point of view and crucial in CAPP, still attract research attention. For the current trend of intelligent manufacturing, machining features (MFs) are the information carriers for workpiece geometry and topology representation. They are basically derived from CAD models and are used by downstream engineering applications. A feature-based...
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Modernisation of existing hospitals
PublicationProgress in medicine and development of medical technologies directly affect the evolution of methods for treating patients in hospitals. The main task of 19th-century hospitals was patient care and nursing, while the aim of hospitals today is to diagnose and treat patients effectively in the shortest time possible. The changes which are taking place in methods of treatment affect the functional-spatial layout of hospitals. This...
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Solid state versus fiber picosecond infrared lasers applied to two-photon vision tests
PublicationDevelopment of new microperimetric tools dedicated for imaging of early functional changes in the retina may help in the monitoring of various ocular diseases progression e.g. Age-Related Macular Degeneration. Recently described two-photon vision may be applied to microperimetric devices. Many subjects with well-known disease history could be investigated with newly developed instrumentation that tests ability of human eye to perceive...
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Bortezomib induces methylation changes in neuroblastoma cells that appear to play a significant role in resistance development to this compound
PublicationThe anticancer activity of bortezomib (BTZ) has been increasingly studied in a number of indications and promising results for the use of this treatment have been shown in neuroblastoma. As BTZ treatment is usually administered in cycles, the development of resistance and side effects in patients undergoing therapy with BTZ remains a major challenge for the clinical usage of this compound. Common resistance development also means...
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Web-based real-time simulation system
PublicationThe paper presents the development of a simulation system composed of a real-time plant simulator with real-time controller included in the software-in-the-loop structure using web-based communication. The client-server architecture build in a TCP/IP network environment was introduced, where the server is a computing unit for real-time high temporal resolution plant simulation (and optionally also as controllers' platform) and...
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Problemy zarządzania bezpieczeństwem obiektu przemysłowego podwyższonego ryzyka
PublicationW rozdziale przedstawiono wybrane zagadnienia dotyczące zarządzania bezpieczeństwem w zautomatyzowanym złożonym obiekcie podwyższonego ryzyka. Pokazano, że ryzyko strat można istotnie ograniczyć stosując odpowiednie rozwiązania techniczne w postaci warstwowego systemu zabezpieczeń, który obejmuje podstawowy system sterowania procesem, człowieka-operatora i system automatyki zabezpieczeniowej. Podkreślono znaczenie właściwego zaprojektowania...
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Comparison of classical and modern approach of determination of highly polar compounds by High Performance Liquid Chromatography coupled with Tandem Mass Spectrometry
PublicationAbstract: Sugars and sugar alcohols are known as highly polar compounds. Four analytes were taken into consideration for comparison of classical and modern approach of separation of highly polar substances. Mannitol was chosen as an example of simple sugar alcohol, sucrose and lactulose as examples of disaccharides and structural isomers, raffinose as an example of complex trisaccharide. Raffinose was also used as internal standard...
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Microgrinding with single-disk lapping kinematics.
PublicationGrinding operations are carried out with a variety of tool-workpiece configurations. The selection of a grinding process for a particular application depends on part shape, part size, ease of fixture, requirements concerning the acceptable shape errors. It is evident that lapping is very effective in eliminating the waviness while surface grinding is not. Dual disk machines for the double face grinding with planetary kinematics...
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Novel single-stranded DNA-binding proteins from extreme psychrophilic bacterium Psychromonas ingrahamii 37
PublicationWe report the identification and characterization of the single-stranded DNA binding protein (SSB) from extreme psychrophilic bacterium Psychromonas ingrahamii 37 (PinSSB) that grows expotentially at -12°C and may well grow at even lower temperatures. PinSSB is one of the largest known bacterial SSB protein consisting 222 amino acid residues with a calculated molecular mass of 25.1 kDa. The analysis by gel filtration chromatography...