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Search results for: POSITRON MOLECULE INTERACTION
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Multimodal Technologies and Interaction
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Studies in Symbolic Interaction
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The Hidden Ramsauer-Townsend Effect in Positron Scattering by Rare Gas Atoms
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Semiempirical models for low energy positron scattering by Ar, Kr and Xe
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Low-energy positron collisions with water: elastic and rotationally inelastic scattering
PublicationDifferential, integral and momentum transfer cross sections for the vibrationally elastic and rotationally inelastic scattering of positrons from water at low collision energy (E ≤ 10 eV) are reported. Several models within the R-matrix method are used to compute the body-fixed T-matrices, while the scattering calculations are performed within the fixed-nuclei approximation corrected with the standard Born-closure formula. These...
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Evaluation of overstrength-based interaction checks for columns in steel moment frames
PublicationCurrent design guidelines in the United States require a check for only column axial force under overstrength seismic loads for capacity-designed steel moment frames. A study is presented to examine the implications of this guidance, which disregards the column interaction check (including both axial force and moment) under overstrength seismic loads. A set of thirteen steel moment frames are designed using multiple rules that...
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Genetic Programming for Interaction Efficient Supporting in Volunteer Computing Systems
PublicationVolunteer computing systems provide a middleware for interaction between project owners and great number volunteers. In this chapter, a genetic programming paradigm has been proposed to a multi-objective scheduler design for efficient using some resources of volunteer computers via the web. In a studied problem, genetic scheduler can optimize both a workload of a bottleneck computer and cost of system. Genetic programming has been...
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Calculation methods of interaction of electromagnetic waves with objects of complex geometries
PublicationModeling of the electromagnetic interaction with different homogeneous or inhomo-geneous objects is a fundamental and important problem. It is relatively easy to solve Maxwellequations analytically when the scattering object is spherical or cylindrical, for example. How-ever, when it loses these properties all that is left for us is to useapproximation models, to ac-quire the solution we need. Modeling of complex, non-spherical,...
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O 1s excitation and ionization processes in the CO2 molecule studied via detection of low-energy fluorescence emission
PublicationOxygen 1s excitation and ionization processes in the CO2 molecule have been studied with dispersed and non-dispersed fluorescence spectroscopy as well as with the vacuum ultraviolet (VUV) photon-photoion coincidence technique. The intensity of the neutral O emission line at 845 nm shows particular sensitivity to core-to-Rydberg excitations and core-valence double excitations, while shape resonances are suppressed. In contrast,...
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Nonlinear Interaction of Magnetoacoustic Modes in a Quasi-Isentropic Plasma Flow
PublicationThe nonlinear interaction of magnetoacoustic waves in a plasma is analytically studied. A plasma is an open system. It is affected by the straight constant equilibrium magnetic flux density forming constant angle with the wave vector which varies from 0 till . The nonlinear instantaneous equation which describes excitation of secondary wave modes in the field of intense magnetoacoustic perturbations is derived by use of projecting....
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Eye-tracking everywhere - software supporting disabled people in interaction with computers
PublicationIn this paper we present comprehensive system for communication with computer by gaze. One of the main assumptions behind this work was to provide solution that can be used with standard RGB webcam. The proposed comprehensive system included the eye tracking module and user interface for convenient gaze interaction with computer. As a result a fully functional application was developed. The average accuracy of the eye tracking...
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Numerical simulation of screw displacement pile interaction with non-cohesive soil
PublicationA trial numerical simulation of screw displacement pile interaction with non-cohesive subsoil during the transfer of compression load. The simulation was carried out in an axisymmetric system. The technological phases of pile installation in the ground were numerically modelled using equivalent processes which provided similar effects to real technical actions. The results of the numerical calculations were verified by comparing...
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Evaluation of Foundation Input Motions Based on Kinematic Interaction Models
PublicationThe present study was designed to demonstrate the importance of baseslab averaging and embedment effects on the foundation-level input motions due to earthquake excitations. Evaluation of foundation-level input motions based on the most commonly adopted kinematic interaction models are presented. In order to conduct this investigation, original records of horizontal accelerations for two casestudy buildings were utilized. Computed...
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Evaluation of foundation input motions based on kinematic interaction models
PublicationThe present study was designed to demonstrate the importance of base-slab averaging and embedment effects on the foundation-level input motions due to earthquake excitations. Evaluation of foundation-level input motions based on the most commonly adopted kinematic interaction models are presented. In order to conduct this investigation, original records of horizontal accelerations for two case-study buildings were utilized. Computed...
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Novel analogues of bradykinin conformationally restricted in the C-terminal part of the molecule
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Double amino acid – A novel molecule enabling peptide interpenetrating structures
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Evidence for solid state electrochemical degradation within a small molecule OLED
PublicationAcridone derivative have been synthesised and used as OLED (Organic Light Emitting Diode) emitters which were found to be electroactive. Electrochemical investigations showed a side reaction takes place inside an active layer which diminished the overall device efficiency. By using a dopant and host active layer architecture, the formation of the by product was removed. The by-product was identified as a σ-dimer formed inside an...
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THE INTERACTION BETWEEN STEEL COLUMN CHORD AND CLOSELY SPACED REINFORCEMENT.
PublicationNowadays, more often than before, civil engineering designers are willing to use steel build-up members composed of single or doubled cold-formed chords interconnected using different mechanical connectors. This paper subject is an analysis of cooperation of a closely spaced built-up cold-formed chord interconnected with series of bolts that are located along the length of the member in a specific spacing. This distance along the...
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Annihilation rates of low-energy positron scattering from simple diatomic molecules
PublicationWe discuss the calculations of Zeff coefficients for a series of diatomic molecules over the range of energies below the positronium formation. During the development of a general code for polyatomic, nonlinear molecules colliding with positrons, it was discovered that the earlier one, employed only for diatomic molecules, had an error. The error is corrected and the corrected results are presented here. We also discuss a way of...
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Going all in or spreading your bet: a configurational perspective on open innovation interaction channels in production sectors
PublicationUsing different interaction channels within open innovation partnerships holds the potential to enhance the chance of success in production sectors. However, our comprehension of how open innovation partnerships are affected by varying combinations of interaction channels, and how this corelates with their level of open innovation output, remains limited. There are discrepancies in the current literature regarding the individual...
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Interaction of low energy electrons with formic acid monomer, dimer and trimer
PublicationConfigurations of the formic acid monomer, dimer and trimer are presented. We have calculated the total energies for these structures. We have considered also the negatively charged clusters and discussed the possible pathways of interaction of low energy electrons with monomers and clusters. Calculations have been executed using 6-311G** and 6-311++G** basis sets. The electron affinities of monomer and clusters are presented....
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Analysing By-Products Interaction as an Industry Resource of Circular Economy in Ukraine and the World
PublicationThe paper analyses existing and current scientific developments and literature sources, which show the advantages and disadvantages of many different influences of waste in Ukraine and other countries of Europe and the world. As a research result, stable connections have been established between the factors and criteria in assessing the by-product interaction as an industry resource. In our research, we used programs R.Studio and...
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Enhanced energy conversion as a result of fluid-solid interaction in micro- and nanoscale
PublicationIt is known that nano- and micromechanics require new approaches to right describing of surface-like phenomena which lead to an enhanced energy conversion. In this work, a general form of surface forces that consist of a contribution from both the friction and mobility components has been extended to collect the effects of bulk and surface motion of a fluid. Quite similar impact can be observed for a solid-fluid mixture, where...
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Interaction Between Storm Water Conduit And Surface Flow For Urban Flood Inundation Modelling
PublicationRapid development of urban areas always comes with great side effects. One of them is the occurrence of urban floods. Growth of impervious surfaces in cities leads to increasing run-off values. This together with difficulties connected with sewage modernization in cities marks urban inundations as being one of the most important issues concerning urban water. Accurate prediction of a phenomenon is difficult as it is highly dependent...
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Problem of aggregation in dye-DNA interaction, calorimetry studies
PublicationNucleic acids are the biological target for many antimicrobial, antitumor and antiviral drugs. Ligand-DNA interactions can be classified into two major categories: 1. covalent binding, which can provide to intermolecular adducts, 2. physico-chemical interactions, which can be divided into intercalation (e.g. adriamycin) or groove binding (e.g. dystamycin). There are several methods to investigate interactions between drug and DNA....
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Fluid–solid interaction on a thin platelet with high-velocity flow: vibration modelling and experiment
PublicationThe paper concerns the nonlinear behaviour of a thin platelet that is streamlined in an aerodynamic tunnel. The air velocity in the aerodynamic tunnel was at 858.9 km/h or 0.7 Ma (Ma—Mach number is a dimensionless quantity in fluid dynamics representing the ratio of flow velocity past a boundary to the local speed of sound). This experiment was numerically simulated using FSI (fluid–solid interaction) tools, namely the coupling...
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Elastic Fender-Dolphin Interaction for Economic Design of Berthing Dolphins
PublicationThe study addresses the question of the possible design benefits when considering the interaction between a modern marine modular rubber fender and a steel tubular pile substructure of a berthing dolphin. Absorption of the berthing kinetic energy of the vessel by a dualelasticity pile-fender berthing system is described in detail using the interactive treatment method (ITM). Application of the ITM is illustrated by a calculative...
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Human-computer interaction approach applied to the multimedia system of polysensory integration
PublicationIn the paper an approach of utilizing an interaction between the human and computer in a therapy of dyslexia and other sensory disorders is presented. Bakker's neuropsychological concept of dyslexia along with therapy methods are reviewed in the context of the Multimedia System of Polysensory Integration, proposed at the Multimedia Systems Department of Gdansk Univ. of Technology. The system is presented along with the training...
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The use of weight in motion data to heavy vehicles - pavement interaction analysis
PublicationWeight in motion (WIM) is the element of modern intelligent transport systems created to control commercial vehicles and to detect overloaded items. Because all of the vehicles crossing the WIM station are weighed and recognized, given data can be used to vehicle-pavement interaction analysis. The paper presents the results of analysis based on data from seven WIM stations localized in Motorway and National Roads in Poland. The...
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Discovery of small-molecule regenerative drugs using a model of complex tissue injury in mice. Transcriptomic responses of neurodevelopmental genes during pharmacologically induced regeneration
PublicationDespite significant development in regenerative medicine, there is a deficit of effective therapies for wound healing and tissue regeneration. Research performed using animal wound models allows for a better understanding of this complex process, searching for compounds with pro-regenerative properties, and assessing their efficacy and safety. Unfortunately, the lack of adequate preclinical models proves to be an issue as no animal...
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Defining a novel domain that provides an essential contribution to site-specific interaction of Rep protein with DNA
PublicationAn essential feature of replication initiation proteins is their ability to bind to DNA. In this work, we describe a new domain that contributes to a replication initiator sequence-specific interaction with DNA. Applying biochemical assays and structure prediction methods coupled with DNA–protein crosslinking, mass spectrometry, and construction and analysis of mutant proteins, we identified that the replication initiator of the...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublicationThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Fast dynamics in the optical storage with Langmuira-Blodgett films of a diazocrown ether molecule
PublicationMolekuły z resztą azobenzenu badano z punktu widzenia licznych aplikacji wykorzystujących cykle fotoizomeryzacji trans-cis-trans, wiodących do uporządkowania cząsteczek, a nawet do transportu masy w mikroskali. Ważnym ograniczeniem dla tych materiałów jest powolna dynamika procesu porządkowania, wymagającego molekularnych przekształceń. W tej pracy informujemy o filmach Langmuira-Blodgett (LB) pochodnej eteru azokoronowego (29-membered...
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Convenient Syntheses of N-Methylthioamides: A Migration of the H2S Molecule in the Thioamide-nitrile System
PublicationThe reaction of thioamides with the R1R2N-ZnCl ammoniates leads to N-mono-, N,N'-di-, N,N-disubstituted, and unsubstituted amidines with high concns. of amines in abs. ethanol. The efficient direct formation of the N,N'-dimethylamidine can be explained by a greater reactivity of methylamine compared with dimethylamine. Discovery of a new zwitterion (induced by a carbonyl oxygen) suggests that the stabilization in the thymine...
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A dressing of zero-range potentials and electron-molecule scattering problem at low energies
PublicationTechnika ''ubierania'' jest używana do poprawy modelu potencjału zerowego promienia (ZRP). Rozważamy przekształcenia Darboux zaczynające się od ZRP, wynik ''ubierania'' daje potencjał z niezerowym promieniem, który zależy od parametrów rozwiązania.
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Theoretical Assessment of Excited State Gradients and Resonance Raman Intensities for the Azobenzene Molecule
PublicationThe ground state geometries and vibrational frequencies as well as the excitation energies and excited state gradients of the S 1(nπ*) and S 2(ππ * ) states of trans - and cis -azobenzene are investigated by several DFT methods, namely B3LYP, PBE, M06-2X, CAM-B3LYP, and ω B97X. Excited state properties and in particular gradients are also assessed using the wave function based methods EOM-CCSD and RASPT2/RASSCF. Comparison with...
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A pedagogical introduction to the Schwinger variational principle: an application to low energy positron-atom scattering
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Rearrangement Collisions in the Schwinger Variational Principle: A Long-Standing Problem in Positron Scattering Physics
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Simulation of fluid structure interaction in a novel design of high pressure axial piston pump
PublicationA novel type of an axial, piston-driven high pressure hydraulic pump with variable capacity marks a significant improvement in the area of the hydraulic machinery design. Total discharge from hydrostatic forces eliminates a need for a servomechanism, thus simplifying operation, reducing weight and introducing the possibility of the pump displacement control by computer. PWK-type pumps, invented in the Gdansk University of Technology,...
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Interaction of human serum albumin with volatiles and polyphenols from some berries
PublicationHeadspace solid-phase microextraction coupled with comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry (HS-SPME/GC GCeTOFMS) identified 19 and quantified 6 monoterpenes in gooseberries, blueberries and cranberries. As a protein model human serum albumin (HSA) was used in interaction with terpenes. Specific binding of terpenes to HSA under the physiological conditions was a result of the formation...
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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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Streamwise vortex interaction with a horseshoe vortex.
PublicationPrzedstawiono próbę oddziaływania wiru wzdłużnego na wir podkowiasty. Wir wzdłużny uzyskano dzięki generatorom powietrznym typu ''jet'' czyli poprzez wydmuch czynnika przez otwory przed opływanym ciałem. Wykazano, że oddziaływanie to może doprowadzić do zmiany struktury przepływu i dezintegrację wiru podkowiastego.
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Streamvise vortex interaction with a horseshoe vortex.
PublicationPrzedstawiono analizę numeryczną dotyczącą możliwości oddziaływania wirami wzdłużnymi na strukturę wirów podkowiastych. Wykonano obliczenia opływu ciała symetrycznego w ramach modelu trójwymiarowego. Wykazano, że dla różnie zlokalizowanych wydmuchów czynnika, stanowiących generatory wirów wzdłużnych, uzyskuje się zasadniczo różny wpływ na strukturę przepływu. Uzyskane wyniki wskazują na możliwość kontrolowania przepływów wtórnych...
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User-System Interaction Design in IT Projects
PublicationMonografia omawia główne wymagania dla interfejsu użytkownika oraz przedstawia przegląd metod przydatnych do projektowania interakcji użytkownik-system, jak i do organizowania współpracy z użytkownikami w projektach informatycznych. Znaczną część monografii poświęcono zagadnieniom projektowania koncepcyjnego oraz testowania i oceny powstających rozwiązań. Szczególne miejsce zajmują różne techniki prototypownia oraz zasady prowadzenia...
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Nongeminate recombination in organic bulk heterojunction solar cells: Contribution of exciton–polaron interaction
PublicationA new model to explain nongeminate recombination in organic bulk heterojunction solar cells is presented. We suggest that the annihilation of excitons on charge carriers at the interface between donor and acceptor phases competes with the bimolecular recombination of Coulombically bound electron–hole pairs. The exciton–polaron interaction gives visible contribution to the reduction of Langevin recombination. An analytical formula,...
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Interaction of PDA monomers with Au
Open Research DataThis dataset contains supplementary information in the form of Electrostatic difference potential (EDP) map, density of states (DOS) spectra, and adsorption geometries of polydopamine PDA monomers on the Au surface. PDA was modelled either as the oxidised (indolequinone, IQ) and reduced (dihydroxyindole, DHI) chemistries.
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Iron–Sulfur Cluster Biogenesis Chaperones: Evidence for Emergence of Mutational Robustness of a Highly Specific Protein–Protein Interaction
PublicationBiogenesis of iron–sulfur clusters (FeS) is a highly conserved process involving Hsp70 and J-protein chaperones. However, Hsp70 specialization differs among species. In most eukaryotes, including Schizosaccharomyces pombe, FeS biogenesis involves interaction between the J-protein Jac1 and the multifunctional Hsp70 Ssc1. But, in Saccharomyces cerevisiae and closely related species, Jac1 interacts with the specialized Hsp70 Ssq1,...
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Studies of the Interaction Dynamics in Albumin-Chondroitin Sulfate Systems by Recurrence Method
PublicationThe physicochemical basis of lubrication of articular cartilage is still not fully understood. However, the synergy between components of the synovial fluid can be a crucial factor that could explain this phenomenon. This work presents a nonlinear data analysis technique named the recurrence method, applied to the system involving two components of synovial fluid: albumin and chondroitin sulfate (CS) immersed in a water environment....
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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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Performance Analysis of Interaction between Smart Glasses and Smart Objects Using Image-Based Object Identification
PublicationWe propose the use of smart glasses to collaborate with smart objects in the Internet of Things environment. Particularly we are focusing on new interaction methods and the analysis of acceptable reaction times in the process of object recognition using smart glasses. We evaluated the proposed method using user studies and experiments with three different smart glasses: Google Glass, Epson Moverio, and the developed eGlasses platform....