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Wyniki wyszukiwania dla: density functional calculations
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The power spectral density of audible noise and electric disturbances in ship’s electrical drive systems with frequency converters
Dane BadawczeThe presented dataset is part of research focusing on the impact of the ship's electrical drive systems with frequency converters on vibrations and the level of audible noise on ships.
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The reductivity of the transition metals - calculations
Dane BadawczeThe dataset includes the reduction enthalpy and Gibbs energy simulated for Co, Cu, Fe, La, Mo, Ni, Sr, Ti, and W from oxide form into metallic form in hydrogen. Simulations were performed using HSC Chemistry software.
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Isolation of the GFA1 gene encoding glucosamine-6-phosphate synthase of Sporothrix schenckii and its expression in Saccharomyces cerevisiae
PublikacjaGlucosamine-6-phosphate synthase (GlcN-6-P synthase) is an essential enzyme involved in cell wall biogenesis that has been proposed as a strategic target for antifungal chemotherapy. Here we describe the cloning and functional characterization of Sporothrix schenckii GFA1 gene which was isolated from a genomic library of the fungus. The gene encodes a predicted protein of 708 amino acids that is homologous to GlcN-6-P synthases...
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Retention modeling of some saccharides separated on an amino column.
PublikacjaUsing an amino column (Supelcosil LC-NH2) and different mixtures of acetonitrile-water, quantitative structure-retention relationship models are discussed. These models are based on computed molecular descriptors representing numerically structured features of some saccharides. The obtained results are underlining the lipophilicity/hydrophilicity balance, and how this is controlling the separation of the saccharides. The resulting...
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Reduced Graphene Oxide Joins Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublikacjaNovel carbon nanomaterials such as reduced graphene oxide (rGO) and graphene oxide (GO) can be easily incorporated into the undergraduate curriculum to discuss basic chemistry and nanotechnology concepts. This paper describes a laboratory experiment designed to study the differences between GO and rGO regarding their physico-chemical properties (e.g. color, hydrophobicity, type of functional groups, electrical conductivity etc.)....
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Modern Material Solutions Applied in Pediatric Facilities
PublikacjaNew tendencies in forming of the health services functional buildings’ systems shaped along with the emergence of caring for patient’s mental condition in medical sciences. The interior design harmonized with the medical function became an incredibly important feature. This opened up new opportunities for the architecture of health care facilities. A positive architecture’s impact on the user’s well-being is remarkably important...
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Composites in energy storing prosthetic feet
PublikacjaComposites reinforced with carbon and glass fibers have become the commonly used material in the production of energy storing prosthetic feet (ESPF/elastic feet prostheses). Their properties ensure a stable and light structure that allows for accumulation, storage and release of energy during walking, thus ensuring an increase in gait efficiency. Depending on the modification of the composite in terms of fiber selection, their...
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Rapid design closure of microwave components by means of feature-based optimization and adjoint sensitivities
PublikacjaIn this article, fast design closure of microwave components using feature-based optimization (FBO) and adjoint sensitivities is discussed. FBO is one of the most recent optimization techniques that exploits a particular structure of the system response to “flatten” the functional landscape handled during the optimization process, which leads to reducing its computational complexity. When combined with gradient-based search involving...
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Relicts of the 16th-century cellar by the St Mary's Church in Gdansk / Relikty piwnicy z XVI w. przy kościele Wniebowzięcia NMP w Gdańsku
PublikacjaSaint Mary’s church in Gdańsk, one of the largest brick Gothic temples in the World, has got no external chapels – except the House of Councils. Its architectural form, however, is not the result of implementation of one project, but realization of a few transforming concepts. The discovery of the relicts of the 16 th century cellars, located in the corner of the transept and the northern aisle, gives an idea of the process...
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Footbridges. Dynamic Design – Selected Problems
PublikacjaModern footbridges create challenge in esthetic and structural design. Breaking the proven canons is a recipe for architectural success. However esthetic form has to be also a functional pedestrian bridge. Therefore a good FEM modeling is a key element in engineering part of design. The paper presents selected problems related to the modeling of the dynamic construction of footbridges. Several basic dynamic problems concerning...
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An interactive system for remote modeling and design validation of hybrid photovoltaic systems
PublikacjaAbstract: A multi-functional demonstrator of the interactive system is presented. The demostrator enables modeling, monitoring and design validation of hybrid photovoltaic systems assisted by fuel cells and thermoelectric generators, as well as experimentation and scientific research. A block diagram of the system is presented and the selection of its components is discussed. Availability of the system via Ethernet or GSM...
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Recent progress in the development of steroid sulfatase inhibitors – examples of the novel and most promising compounds from the last decade
PublikacjaThe purpose of this review article is to provide an overview of recent achievements in the synthesis of novel steroid sulfatase (STS) inhibitors. STS is a crucial enzyme in the biosynthesis of active hormones (including estrogens and androgens) and, therefore, represents an extremely attractive molecular target for the development of hormone-dependent cancer therapies. The inhibition of STS may effectively reduce the availability...
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The occurrence and role of Nitrospira in nitrogen removal systems
PublikacjaApplication of the modern microbial techniques changed the paradigm about the microorganisms performing nitrification. Numerous investigations recognized representatives of the genus Nitrospira as a key and predominant nitrite-oxidizing bacteria in biological nutrient removal systems, especially under low dissolved oxygen and substrate conditions. The recent discovery of Nitrospira capable of performing complete ammonia oxidation...
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Design of dimensionally stable composites using efficient global optimization method
PublikacjaDimensionally stable material design is an important issue for space structures such as space laser communication systems, telescopes, and satellites. Suitably designed composite materials for this purpose can meet the functional and structural requirements. In this paper, it is aimed to design the dimensionally stable laminated composites by using efficient global optimization method. For this purpose, the composite plate optimization...
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Influence of different cultivation systems on bioactivity of asparagus
PublikacjaEvaluation of functional and bioactive compounds of Asparagus officinalis L. growing in conventional and organic greenhouse and conventional open –field farming was the aim of this research. Polyphenols in cladodes grown conventionally were higher than organic. Flavonoids and carotenoids were the highest in cladodes in open field. Organic spears were richer in total phenolics (+6.9% and +19.1%) and flavonoids (+4.7% and 16.8%)...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublikacjaMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Interference between Land and Sea Logistics Systems. Multifunctional Building System Design Towards Autonomous Integrated Transport Infrastructure
PublikacjaThe research is focused on developing design theory towards efficient multifunctional facilities for logistics supply chains in the contemporary urban city structures. The development of modern systems based on autonomous transport creates new conditions for their management and generates an emerging need to define dedicated functional service structures. An important element of consideration also taken into account is the scenario...
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Design of residential buildings in architecture education
PublikacjaThis article is based on an analysis of residential building designs made by students of the Faculty of Architecture at Gdańsk University of Technology (FA-GUT), Poland, and on the results of a survey conducted among these students. The purpose of the survey was to verify the broad, interdisciplinary knowledge of the students required in preparation for taking up design issues, as well as their ability to use this knowledge in...
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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations
PublikacjaThe reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane...
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MSIS sonar image segmentation method based on underwater viewshed analysis and high-density seabed model
PublikacjaHigh resolution images of Mechanically Scanned Imaging Sonars can bring detailed representation of underwater area if favorable conditions for acoustic signal to propagate are provided. However to properly asses underwater situation based solely on such data can be challenging for less than proficient interpreter. In this paper we propose a method to enhance interpretative potential of MSIS image by dividing it in to subareas depending...
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Industrial computer networks and functional safety
PublikacjaW rozdziale monografii przedstawiono wybrane aspekty bezpieczeństwa funkcjonalnego na przykładzie przemysłowych sieci komputerowych stosowanych w obiektach infrastruktury krytycznej. Pierwszą cześć rozdziału poświęcono omówieniu klasycznych rozwiązań w zakresie sieci komputerowych. Drugą część rozdziału stanowi analiza przypadku typowej przemysłowej sieci komputerowej z uwzględnieniem aspektów bezpieczeństwa funkcjonalnego.
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Methodological aspects of functional safety assessment
PublikacjaW artykule przedstawiono aktualne problemy analizy ryzyka i modelowania probabilistycznego w zarządzaniu bezpieczeństwem funkcjonalnym w cyklu życia systemów związanych z bezpieczeństwem. Zostały wyróżnione dwa podstawowe etapy w cyklu życia tych systemów, a mianowicie etap projektowania i etap eksploatacji. Z powodu złożoności i niepewności może być użyteczna w analizie ryzyka i modelowaniu probabilistycznym informacja zarówno...
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Implicit difference functional inequalities and applications
PublikacjaKlasyczne rozwiązania problemów początkowych przybliżane są rozwiązaniami uwikłanych metod różnicowych. Wykazana została zbieżność i stabilność uwikłanych schematów. Przy założeniu, że funkcje dane spełniają nieliniowe oszacowanie typu Perrona względem argumentu funkcyjnego, udowodniono stabilność metody uwikłanej, wykorzystując twierdzenie porównawcze dla funkcji spełniających uwikłane nierówności różnicowe typu Volterry.
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Functional differential equations of second order.
PublikacjaPraca dotyczy problemu brzegowego dla równań różniczkowo-funkcyjnych 2-go rzędu. Stosując metodę kwasilinearyzacji pokazano, że odpowiednio skonstruowane ciągi monotoniczne są zbieżne do jedynego rozwiązania danego problemu i ustalono szybkość tej zbieżności. Pokazano również pewną relację pomiędzy rozwiązaniami odpowiednich liniowych równań różniczkowo-funkcyjnych z warunkami brzegowymi.
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Multislice CT in functional cardiac exploration.
PublikacjaArtykuł przedstawia analizę oraz omówienie wykonanych badań w zastosowaniu tomografia wielorzędowej w diagnostyce czynnościowej serca. Pokazano zarówno aspekty technicznej metody jak i możliwości zastosowań medycznych.
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Approximate methods for functional differential equations
PublikacjaW pracy przedstawione są dwie klasy przybliżonych metod rozwiązywania równań różniczkowo funkcyjnych ze szczególnym uwzględnieniem równań różniczkowych z opóźnieniem. Do pierwszej klasy należą metody bezpośrednie reprezentowane w przedkładanej rozprawie przez dwukrokowe metody Rungego-Kutty. Należą one do klasy ogólnych metod liniowych rozwiązywania równań różniczkowych. Druga klasę przybliżonych metod rozwiązywania równań różniczkowo...
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Deformation of an elastic second gradient spherical body under equatorial line density of dead forces
PublikacjaWe consider deformations of an elastic body having initially a spherical shape. Assumed deformation energy depends on the first and second gradient of displacements. We apply an equatorial line density of dead loads, that are forces per unit line length directed in radial direction and applied along the equator of the sphere. We restrict ourselves our analysis to the case of linearized second strain gradient isotropic elasticity...
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Self-normalized density map (SNDM) for counting microbiological objects
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Spectral density distribution moments as novel descriptors for QSAR/QSPR
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Heart irradiation reduces microvascular density and accumulation of HSPA1 in mice
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Analysis of Factors Influencing the Density of Fatalities on National Roads in Poland
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Cell Density-Dependent Cytological Stage Profile and Its Application for a Screen of Cytostatic Agents Active Toward Leukemic Stem Cells
PublikacjaProliferation and expansion of leukemia is driven by leukemic stem cells (LSCs). Multidrug resistance (MDR) of LSCs is one of the main reasons of failure and relapses in acute myeloid leukemia (AML) treatment. In this study, we show that maintaining HL-60 at low cell culture density or applying a 240-day treatment with anthrapyridazone (BS-121) increased the percentage of primitive cells, which include LSCs determining the overall...
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CLINICAL PHYSIOLOGY AND FUNCTIONAL IMAGING
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Journal of Nonlinear Functional Analysis
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Functional Foods in Health and Disease
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FUNCTIONAL ANALYSIS AND ITS APPLICATIONS
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Nonlinear Functional Analysis and Applications
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Methods of Functional Analysis and Topology
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Journal of Structural and Functional Genomics
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NUMERICAL FUNCTIONAL ANALYSIS AND OPTIMIZATION
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Journal of Functional Morphology and Kinesiology
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Analysis of the Possibilities of Applying 3D Print Methods for the Needs of Ship-Building Industry
PublikacjaArticle presents the analysis of applying additive and hybrid manufacturing methods and its impact on dynamic stiffness of prepared samples. Dynamic analysis of the handle bracket specimens consisted in plotting the resonance curves and using these curves to estimate the dynamic stiffness of elements produced with additive manufacturing technology. Authors focused especially on 3D print in Fused Deposiotion Modeling/Fused Filament...
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Lipids and Food Quality
PublikacjaThis chapter deals with lipids present in food as well as their chemical, biological, and functional properties. The chapter begins with a presentation of the main groups of lipids including their chemical structure and physical properties. The physical properties of lipids affecting food processing are covered. Then, the role of lipids in human nutrition is presented. This is followed by a description of the undesirable changes...
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An application of simulation model of fuel consumption in diagnostic system of wheeled tractors
PublikacjaAn application of computer controlled fuel injection systems in vehicle engines and growing demands concerning toxic substances emission and fuel consumption was a main reason for OBD (On Board Diagnosis) development. In spite of a great technological development, only some tractors are equipped in diagnostic systems. On board diagnostic is strongly connected with emission demands and does not concern other important vehicle functions. In...
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Nowe zakresy kreowania wizerunku fasad przy zastosowaniu technologii filtrów optycznych.
PublikacjaModern facades, whether made of glass or including transparent, translucent or reflective elements, let through a particular light spectrum or change its intensity in many different ways. “Filtering facades” may change the image seen through them or change the colour of passing light according to specific circumstances: the angle of observation or temperature. These indicated properties of facades acting as “filters” were made...
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"Food Oxidants and Antioxidants" Book review
PublikacjaThe book is the 14th title in the CRC series Chemical and Functional Properties of Food Components, edited since 2001 by Zdzisław E. Sikorski. The editor of the book, a professor in the University of Łódź and member of the Polish Academy of Sciences, is an internationally recognized authority in biochemistry and biophysics of reactive oxygen species. In Poland Grzegorz Bartosz has a reputation as the author of his most interesting...
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Experimental bases for the rail track surface damage detection system
PublikacjaA diagnosis of rail surface is generally based on the classical method of direct assessment and track geometry measurements. Identification and qualification of inequality and damage on the surface rails is depend on the skills and experience person who conducting inspection. In times of increasing exploitation of railways, infrastructure managers decide to use systems supporting the assessment of technical condition of the railways....
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Local structural and chemical ordering of nanosized Pt(3±δ)Co probed by multiple-scattering x-ray absorption spectroscopy
PublikacjaThis work reports a detailed investigation of the local structure and chemical disorder of a Pt(3±δ)Co thin film and Pt(3±δ)Co nanoparticles. We have used a combination of techniques including x-ray absorption spectroscopy (XAS), x-ray diffraction (XRD), and high-resolution transmission electron microscopy (TEM). The important effect of chemical ordering on pair and three-atom configurations has been studied using computer simulations...
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Novel primosomal protein B from thermophilic bacterium Thermoanerobacter tengcongensis
PublikacjaWe report the identification and characterization of theprimosomal protein B (PriB) from thermophilic bacteriumThermoanerobacter tengcongensis (TtePriB). It is the largestknown bacterial PriB protein consisting 216 amino acidresidues with a calculated molecular mass of 25 kDa. Surprisingly,it is functional as monomer containing two single-stranded DNA binding domain (OB-fold) and it is thecompletely new kind structure of SSB protein....
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Antioxidant Interactions between Major Phenolic Compounds Found in 'Ataulfo' Mango Pulp: Chlorogenic, Gallic, Protocatechuic and Vanillic Acids
PublikacjaPhenolic compounds are known to have antioxidant capacity; however, there is little information about molecular interactions between particular phenolics found in fruits at different developmental stages. Therefore, the total antioxidant capacity of the phenolic compounds of a fruit may not correspond to the sum of individual antioxidant capacity given by antioxidants from that tissue. In this study, individual antioxidant capacity...