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Search results for: HALOGEN INTERACTION
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APIS – Agent Platform for Integration of Services
PublicationThe paper presents an approach to creating the platform for development and evaluation of complex tasks execution algorithms. Proposed solution is based on an agent paradigm where independent peers can cooperate and negotiate in order to execute specified tasks which are defined only by the final output description. Tasks are realized by the means of services exposed by different peers. In case when there is no single service fulfilling...
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Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublicationWe report on theoretical analysis of excitons annihilation on charge carriers in organic solar cells. Numerical calculations based on transient one-dimensional drift-diffusion model have been carried out. An impact of three quantities (an annihilation rate constant, an exciton mobility and a recombination reduction factor) on current density and concentrations of charge carriers and excitons is investigated. Finally, we discuss...
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Multidimensional Feature Selection and Interaction Mining with Decision Tree Based Ensemble Methods
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Shaping Place Identity through Interaction on the Example of the European Solidarity Centre in Gdansk
PublicationThe article presents process of shaping place identity on the example of an important for Pomerania region investment - European Solidarity Centre. The realization of the European Solidarity Centre aims to be one of the essential elements of shaping Gdańsk’s identity of space. The article is an attempt to analyse how the presence of realization gradually affects the formation of the place identity of new urban space. Analysis...
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Testing interaction models by using x-ray absorption spectroscopy: solid Pb
PublicationPraca prezentuje zastosowanie metody EXAFS jako narzędzia do testowania potencjałów oddziaływań międzyatomowych używanych w symulacjach dynamiczno-molekularnych na przykładzie czystego ołowiu w fazie stałej (od temperatury pokojowej do temperatury topnienia). Testowaniu poddano następujące potencjały: dwuciałowy empiryczny potencjał Dzugutova, Larssona i Ebbsjo (DLE), potencjał ciasnego wiązania (TB) i potencjał w modelu osadzonego...
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Theoretical study of the finite amplitude waves interaction problem for multielement radiating array.
PublicationPrzedstawiono model matematyczny i wyniki badań teoretycznych zjawiska oddziaływań fal dla źródeł biharmonicznych. Rozpatrzono dwie konfiguracje źródła. Model matematyczny zbudowano w oparciu o równanie KZK dla źródeł bez osiowej symetrii. Analizowano zmiany ciśnienia fal różnych częstotliwości w obrębie wiązki akustycznej.
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The effects of graphical interface design characteristics on human–computer interaction task efficiency
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Shock wave - boundary layer interaction control by air-jet streamwise vortices
PublicationW pracy przedstawiono wyniki badań eksperymentalnych i numerycznych oddziaływania fali uderzeniowej z warstwą przyścienną. Badania eksperymentalne wykonano dla różnych geometrii dysz. Przedstawiono wpływ generatorów wirów wzdłużnych na strukturę przepływu i możliwość kontrolowania oderwania za falą uderzeniową. Przeprowadzono optymalizację konfiguracji generatora wirów w przepływie naddźwiękowym w oparciu wyniki obliczeń przepływu...
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Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies
PublicationJest to praca przeglądowa obejmująca krytyczną analizę danych dotyczących oddziaływania amfoterycyny B (AmB) i jej wybranych, mniej toksycznych pochodnych, z błonami lipidowymi. Amfoterycyna B jest antybiotykiem przeciwgrzybowym ale ze względu na jej toksyczność trwają prace nad modyfikacjami chemicznymi tego związku. Celem molekularnym dla tego antybiotyku jest błona lipidowa i dlatego różnicowe powinowactwo AmB i jej pochodnych...
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Gender-Selective Interaction Between Aging, Blood Pressure, and Sympathetic Nerve Activity
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INFLUENCE OF THE INTERMOLECULAR INTERACTION ON PHYSICO-CHEMICAL PROPERTIES OF CHITOSAN/HYALURONIC ACID BLENDS
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Environmentally Oriented Models and Methods for the Evaluation of Drug x Drug Interaction Effects
PublicationThis detailed review compares known and widely used methods for drug interaction estimation, some of which now have historical significance. Pharmaceutical application has been noted as far back as several thousand years ago. Relatively late in the 20th century, however, researchers became aware that their fate and metabolism, which still remain a great challenge for environmental analysts and risk assessors. For the patient’s...
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Interaction of selected drugs with food in the group of patients over 60 years of age
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Acousto-optic interaction of a Gaussian laser beam with an ultrasonic wave of cylindrical symmetry
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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublicationCardiovascular system diseases, as aortic valve stenosis, are the main cause of mortality and morbidity among patients. There is still a room for enhancement of the diagnostic and therapeutic procedures, which will lead to improvement of the treatment. One of the remedies are the computer tools to support the medical diagnoses and prostheses design. The development of a procedure for modeling the aortic valves: anatomical tricuspid...
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The potential interaction of environmental pollutants and circadian rhythm regulations that may cause leukemia
PublicationTumor suppressor genes are highly affected during the development of leukemia, including circadian clock genes. Circadian rhythms constitute an evolutionary molecular machinery involving many genes, such as BMAL1, CLOCK, CRY1, CRY2, PER1, PER2, REV-ERBa, and RORA, for tracking time and optimizing daily life during day-night cycles and seasonal changes. For circulating blood cells many of these genes coordinate their proliferation,...
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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublicationIn this work, the density functional theory with B3LYP hybrid functional was employed to calculate quantities useful for estimating the behavior of pyridine, pyrazine and their derivatives monosubstituted with Cl or Br atom, when exposed to low-energy electron impact. Vertical electron affinities obtained in several Pople basis sets and in aug-cc-pVTZ basis set are reported. Although some of the investigated molecules do not form...
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The interaction of the pulsed laser irradiation with titania nanotubes - Theoretical studies on the thermal effect
PublicationThis paper reports temperature dispersion simulations of titania nanotubes irradiated by the 355 nm, pulsed, nanosecond laser. The modelling with the use of Finite Elements Method concerns titania nanotubes of the length and the wall thickness in the range of 0.5–2 μm and 5–20 nm, respectively. The uniqueness of the morphology was preserved by ensuring the wall thickness variation along the height of the tube, which was determined...
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Review on robust laser light interaction with titania – Patterning, crystallisation and ablation processes
PublicationTitanium dioxide is regarded as a very promising semiconducting material that is widely applied in many everyday-use products, devices, and processes. In general, those applications can be divided into energy or environmental categories, where a high conversion rate, and energy and power density are of particular interest. Therefore, many efforts are being put towards the elaboration of novel production routes, and improving the...
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Interaction of the conserved region 4.2 of sigma(E) with the RseA anti-sigma factor
PublicationEo-E RNA polymerase transcribes a regulon of folding factors for the bacterial envelope and is induced by physical and chemical stresses. The RseA anti-sigma factor inhibits the activity of Esigma(E) RNA, polymerase. It is shown here that the N-terminal portion of sigma(E), residues 1-153, binds core RNA polymerase. RseA interacts with residues 154-191 of sigma(E), a site that is homologous to region 4, the sigma factor binding...
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Non-Linear Interaction of Harmonic Waves in a Quasi-Isentropic Flow of Magnetic Gas
PublicationThe diversity of wave modes in the magnetic gas gives rise to a wide variety of nonlinear phenomenaassociated with these modes. We focus on the planar fast and slow magnetosound waves in the geometryof a flow where the wave vector forms an arbitrary angleθwith the equilibrium straight magnetic field.Nonlinear distortions of a modulated signal in the magnetic gas are considered and compared to thatin unmagnetised gas. The case of...
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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublicationThe reduction of 4-nitrothiophenol (NTP) to 4-4′-dimercaptoazobenzene (DMAB) on laser illuminated noble metal nanoparticles is one of the most widely studied plasmon mediated reactions. The reaction is most likely triggered by a transfer of low energy electrons from the nanoparticle to the adsorbed molecules. Besides the formation of DMAB, dissociative side reactions of NTP have also been observed. Here, we present a crossed electron-molecular...
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Sphere Drive and Control System for Haptic Interaction With Physical, Virtual, and Augmented Reality
PublicationA system for haptic interaction with physical, virtual, and augmented realities, founded on drive and measurement elements (DMEs), is considered. The system consists of eight DME rolls equipped with linear actuators, able to measure their angular velocity, drive the sphere, and adjust downforce (pressing the roll against the sphere). Two modeling issues are addressed. Special effort is put in to compensate for various technical...
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Electron interactions with Bis(pentamethylcyclopentadienyl) titanium(IV) dichloride and difluoride
PublicationWe present a combined experimental and theoretical study of the interaction of electrons with Bis(pentamethylcyclopentadienyl)titanium(IV) dichloride (Cp∗2TiCl2) and difluoride (Cp∗2TiF2). We report the experimental measurements of partial cross sections for the dissociative electron attachment (DEA) and the electron ionization (EI) mass spectra of isolated molecules. Estimates of the absolute cross sections are done on the basis...
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Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublicationW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...
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Interactions of selected mono- and disaccharides with precipitated calcium carbonate particles
PublicationCalcium carbonate is a widespread compound in nature and it can be produced by living organisms in the biomineralization process. Calcite, aragonite and vaterite are anhydrous polymorphic forms of calcium carbonate, wherein the calcite is the most thermodynamically stable. Vaterite is the metastable crystalline phase, which can be a precursor of calcite and aragonite, because it can easily transformed by dissolution and re crystallization...
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Computational studies of intermolecular interactions in aqueous solutions of poly(vinylmethylether)
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Influence of hydrophobization of fumed oxides on interactions with polar and nonpolar adsorbates
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Membrane structure and interactions of peptide hormones with model lipid bilayers
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Raman spectroscopic study of Ni2+-DNA interactions in aqueous systems
PublicationMetodą ramanowskich widm różnicowych określono sposób oddziaływania jonu Ni2+ z DNA(CT) w układach wodnych. Kation Ni(II) koordynuje w pozycjach N7 guaniny (G) i adeniny (A) w powtarzających się sekwencjach GG, AA i GA cząsteczki DNA. Jednocześnie Ni2+ oddziałuje zewnątrz sferowo poprzez cząsteczki wody z grupami fosforanowymi DNA.
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FT-IR studies of molecular interactions in formamide-methanol mixtures
PublicationTechniką ATR zmierzono widma FT-IR roztworów metanolu(MeOH) i formamidu(FA) w całym zakresie ich składu. Przeprowadzono analizę faktorową widm, która wykazała obecność dwóch kompleksów molekularnych matanolu z formamidem. Na podstawie profilów stężeniowych indywiduów absorbujących wyznaczono średni skład kompleksów w zależności od składu mieszaniny. Przeprowadzono również analizę pasma CO formamidu metodą widm różnicowych. Wyniki...
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Profile irregularities of turned surfaces as a result of machine tool interactions
PublicationThe paper describes the influence of the machining operation on a surface, which disturbs the projection of the tool profile in the form of its relative movements with respect to the object. The elements of the machine tool undergo constant wear during the machining process, it is therefore important to recognize the effects of their influence on the surface's irregularities. Amplitude-frequency analysis of lateral profiles has...
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Supramolecular Interactions between β-Cyclodextrin and the Nucleobase Derivatives of Ferrocene
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Human-computer interactions in speech therapy using a blowing interface
PublicationIn this paper we present a new human-computer interface for the quantitative measurement of blowing activities. The interface can measure the air flow and air pressure during the blowing activity. The measured values are stored and used to control the state of the graphical objects in the graphical user interface. In speech therapy children will find easier to play attractive therapeutic games than to perform repetitive and tedious,...
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DMSO and TMAO—Differences in Interactions in Aqueous Solutions of the K-Peptide
PublicationInteractions between a solvent and their co-solute molecules in solutions of peptides are crucial for their stability and structure. The K-peptide is a synthetic fragment of a larger hen egg white lysozyme protein that is believed to be able to aggregate into amyloid structures. In this study, a complex experimental and theoretical approach is applied to study systems comprising the peptide, water, and two co-solutes: trimethylamide...
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Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
PublicationBy the reaction of urea or thiourea, acetylacetone and hydrogen halide (HF, HBr or HI), we have obtained seven new 4,6-dimethyl-2-pyrimido(thio)nium salts, which were characterized by single-crystal X-ray diffraction, namely, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride, C₆H₉N₂O⁺·HF₂⁻ or (dmpH)F₂H, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide, C₆H₉N₂O⁺·Br⁻ or (dmpH)Br, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium...
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Exact-match Based Wikipedia-WordNet Integration
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Adaptive Algorithm for Interactive Question-based Search
PublicationPopular web search engines tend to improve the relevanceof their result pages, but the search is still keyword-oriented and far from "understanding" the queries' meaning. In the article we propose an interactive question-based search algorithm that might come up helpful for identifying users' intents. We describe the algorithm implemented in a form of a questions game. The stress is put mainly on the most critical aspect of this...
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Interactive Information Retrieval Algorithm for Wikipedia Articels
PublicationThe article presents an algorithm for retrieving textual information in documents collection. The algorithm employs a category system that organizers the repository and using interaction with user improves search precision. The algorithm was implemented for simple English Wikipedia and the first evaluation results indicates the proposed method can help to retrieve information from large document repositories.
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Exact-match Based Wikipedia-WordNet Integration
PublicationAbility to link between WordNet synsets and Wikipedia articles allows usage of those resources by computers during natural language processing. A lot of work was done in this field, however most of the approaches focus on similarity between Wikipedia articles and WordNet synsets rather than creation of perfect matches. In this paper we proposed a set of methods for automatic perfect matching generation. The proposed methods were...
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Interactive design system for provisioning of customized houses
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Stepwise development of distributed interactive simulation systems.
PublicationMetoda krokowa pozwala na budowanie wydajnych i skalowalnych systemów symu-lacji rozproszonej obiektów rzeczywistych jak np. pojazdy terenowe, samocho-dy i śmigłowce. Dzięki uwzględnianiu parametrów operacyjnych oraz parametrównarzędzi wizualizacyjnych możliwe jest znaczne ograniczenie liczby komunika-tów przesyłanych między obiektami.
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Numerical integration of a coupled Korteweg-deVries system
PublicationMetoda numeryczna została wprowadzona do rozwiązania ogólnych układów równańKorteweg´a- de Vries´a. Zastosowana do równania Hirota-Satsuma.
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Inverse Integration of the Open Channel Flow Equations
PublicationW artykule przedstawiono metodę obliczeń umożliwiającą całkowanie równań przepływu nieustalonego w kanałach otwartych (równań de Saint Venanta) wstecz. Dyskutowano także przydatność równania retencji w zagadnieniu sterowania przepływem.
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Integration of heterogeneous web services in exceptional situations
PublicationWeb services are intended to enable interoperability between heterogeneous distributed systems. Although the technology has been widely adopted and accepted, there are still differences between runtime platforms in exception structure and handling. This results in difficulties in effective handling of exceptions during Web services invocation. The paper presents a solution that enables coordinated exception handling between different...
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Efficiency of interactive terrain visualization with a PC-cluster
PublicationW artykule przedstawiono wyniki jednego z zadań krajowego projektu CLUSTERIX, poświęconego opracowaniu wydajnej aplikacji do interaktywnej wizualizacji terenu z rzeczywistych danych przestrzennych. Szczególną uwagę poświęcono praktycznym aspektom wykorzystania klastrów obliczeniowych w zastosowaniach ściśle graficznych.
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Transport system integration - a challenge of our times
PublicationKażdego dnia w systemie transportowym na świecie ginie ponad 3 tys. osób, z czego większość w wypadkach drogowych. W Polsce, podobnie jak w innych krajach UE, obserwuje się podobne dysproporcje pomiędzy skalą wypadków drogowych i wypadków w innych rodzajach transportu. Z punktu widzenia zarządzania bezpieczeństwem, każdy z systemów gałęziowych jest zorganizowany w inny sposób. Dotyczy to baz danych, instytucji zarządzających infrastrukturą...
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Integration of natural and artificial intelligence in production systems
PublicationIntegration processes play an increasingly important role in modern economy, and seriously co-decide about the effectiveness of the company. Integration phase occurs in the system life cycle by preceding the final stages of its implementation and activation. In turn, used in software engineering (SE) iteration-evolutionary models, such as spiral model make that the integration activities can occur in varying degrees in all phases...
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Dependable Integration of Medical Image Recognition Components
PublicationComputer driven medical image recognition may support medical doctors in the diagnosis process, but requires high dependability considering potential consequences of incorrect results. The paper presentsa system that improves dependability of medical image recognition by integration of results from redundant components. The components implement alternative recognition algorithms of diseases in thefield of gastrointestinal endoscopy....