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Search results for: biomolecular interactions
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Photophysics of a Ruthenium 4H-Imidazole Panchromatic Dye in Interaction with Titanium Dioxide
PublicationThe photophysics of bis(4,4′-di-tert-butyl-2,2′-bipyridine-κ2N,N′)[2-(4-carboxyphenyl)-4,5-bis(p-tolylimino-κN)imidazolato]ruthenium(II) hexafluorophosphate is investigated, both in solution and attached to a nanocrystalline TiO2 film. The studied substitution pattern of the 4H-imidazole ligand is observed to block a photoinduced structural reorganization pathway within the 4H-imidazole ligand that has been previously investigated....
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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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Interaction of Acoustic and Thermal Modes in the Vibrationally Relaxing Gases. Acoustic Cooling
PublicationThe dynamic equation which governs an excess temperature associated with the thermal mode in vibrationally relaxing gas is derived. The nonlinear transfer of acoustic energy to the energy of the thermal mode in a relaxing gas causes slow variation of temperature with time. The nal dynamic equation is instantaneous. All types of sound, including aperiodic, may be considered as an acoustic source of corresponding heating or cooling....
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems.
PublicationFluid–structure interaction technique seems to be one of the most promising possibilities for theoretical analysis of lubrication problems. It allows coupling of different physical fields in one computational task, taking into account the interaction between them. In this article, two sets of fluid–structure interaction analyses focusing on the bearing performance evaluation are presented. One analysis was applied to a water-lubricated...
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EMG and gaze based interaction with graphic interface of smart glasses application
PublicationIn this paper we investigate the effectiveness of the interaction using eye tracking and electromyography. Smart glasses requires reliable interfaces for controlling the graphic content displayed directly in front of the user's eye. Presented research is related with the eGlasses project, which is focused on the development of an open platform in the form of multisensory electronic glasses and related interaction methods. One of...
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Features of Machine Cyclogram Optimization with the Account of Interaction of Mechanism Links with Stops
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Acousto-optic interaction with the use of cylindrical ultrasonic waves in the laser cavity
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Impact of interaction between somatic illness and trait neuroticism on depressive symptoms
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Application of the fluid–structure interaction technique for the analysis of hydrodynamic lubrication problems
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Interaction of antitumor triazoloacridone C-1305 and its analogs with telomeric DNA
PublicationBadaliśmy oddziaływanie pochodnej triazoloakrydonu C-1305 i jego bliskich analogów strukturalnych z oligonukleotydami zawierającycmi sekwencje telomerowe TTAGGG oraz oligonukleotydami sfałdowanymi w strukturę G-kwadrupleksu. Wykazaliśmy, że spośród badanych związków pochodna C-1305 wykazała największą specyficzność w stosunku do telomerowego DNA. Związek ten stabilizował także strukturę G-kwadrupleksu, podczas gdy jego analogi...
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Effects of Coulomb interaction on the electronic structure and lattice dynamics of the Mott insulatorFe2SiO4spinel
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Influences of Gender on the Interaction between Sympathetic Nerve Traffic and Central Adiposity
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Importance of ventilation in modulating interaction between sympathetic drive and cardiovascular variability
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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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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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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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Extending touch-less interaction with smart glasses by implementing EMG module
PublicationIn this paper we propose to use temporal muscle contraction to perform certain actions. Method: The set of muscle contractions corresponding to one of three actions including “single-click”, “double-click” “click-n-hold” and “non-action” were recorded. After recording certain amount of signals, the set of five parameters was calculated. These parameters served as an input matrix for the neural network. Two-layer feedforward neural...
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Interaction of selected divalent metal ions with human ataxin-3 Q36
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Investigation of the Membrane Localization and Interaction of Selected Flavonoids by NMR and FTIR Spectroscopy
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The FMO analysis of the molecular interaction of fentanyl derivatives with the μ-opioid receptor
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Determination of Propeller-Rudder-Hull Interaction Coefficients in Ship Manoeuvring Prediction
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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 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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Robot Eye Perspective in Perceiving Facial Expressions in Interaction with Children with Autism
PublicationThe paper concerns automatic facial expression analysis applied in a study of natural “in the wild” interaction between children with autism and a social robot. The paper reports a study that analyzed the recordings captured via a camera located in the eye of a robot. Children with autism exhibit a diverse level of deficits, including ones in social interaction and emotional expression. The aim of the study was to explore the possibility...
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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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Nonlinear Interaction of Modes in a Planar Flow of a Gas with Viscous and Thermal Attenuation
PublicationThe nonlinear interaction of wave and non-wave modes in a gas planar flow are considered. Attention is mainly paid to the case when one sound mode is dominant and excites the counter-propagating sound mode and the entropy mode. The modes are determined by links between perturbations of pressure, density, and fluid velocity. This definition follows from the linear conservation equations in the differential form and thermodynamic...
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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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Investigation of influence of space mopdes interaction on nonlinear dynamics of sound beams
PublicationOperatory rzutu na mody są zdefiniowane w dynamice płynów trójwymiarowych. Zostały wyprowadzone równania ewolucyjne. Rezultaty obliczeń numerycznych przedstawione.
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Maps with bounded sequence of indices of interations and finitaly many periodic points
PublicationW pracy badane są związki pomiędzy globalną topologiczną strukturą przestrzeni wyrażoną w terminach charakterystyki Eulera-Poincar odwzorowań na niej określonych, a spełniających założenia z tytułu, a lokalnymi własnościami przestrzeni zdeterminowanymi przez zachowanie się tych odwzorowań w punkatach periodycznych.
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Influence of surfactants on interaction forces between polyethylene surfaces in a hydrocarbon solvent.
PublicationPrzeprowadzono bezpośrednie pomiary oddziaływań międzyfazowych pomiędzy cząstkami polietylenowymi w środowisku n-tetradekanu z dodatkiem surfaktantów(kwasu larynowego i dodecyloaminy). Dodatek surfaktantów wpłynął na wzrost oddziaływań odpychających pomiędzy powierzchniami polietylenowymi, szczególnie w przypadku dodecyloaminy. Zaobserwowano obecność wzrostu sferycznych sił odpychających ze wzrostem temperatury.
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Modelling of the finite amplitude waves interaction problem inside truncated cone.
PublicationModel matematyczny zjawiska oddziaływania fal o dużej amplitudzie dla przetwornika kołowego zbudowanego w oparciu o równanie KZK. Rozwiązania zagadnienia poszukiwano wewnątrz stożka ściętego. Do rozwiązania zagadnienia zastosowano metodę różnic skończonych. Podano przykładowe wyniki badań numerycznych.
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Interaction of amphotericin B with phospholipids in the model membrane - molecular dynamics study.
PublicationAmfoterycyna B jest antybiotykiem używanym w leczeniu układowych infekcji grzybowych. Jej mechanizm działania polega na tworzeniu kanałów wewnątrz błon lipidowych. W przedstawianej pracy publikowane są wyniki symulacji przeprowadzonej dynamiką molekularną monomerycznej i dimerycznej formy antybiotyku wewnątrz błony lipidowej zbudowanej z cząsteczek DMPC. Wyniki te wskazują, że powinowactwo cząsteczek amfoterycyny wewnątrz dimeru...
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Interaction of vortical and acoustic waves: from general equations to integrable cases
PublicationWyprowadzono operatory rzutu przepływu w warstwie lepkiej przyściennej na podstawowe typy ruchów. Wyprowadzono również układy równań dynamicznych sterujących przepływem. Zaproponowano metody analityczne dalszego rozwiązywania tych równań.
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Canonical perturbation theory for inhomogeneous systems of interacting fermions
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Interactions between components of SrTi0.98 Nb0.02O3-δ-YSZ and SrTi0.98 Nb0.02O3-δ -CeO2 composites
PublicationComposites consisting of SrTiO3-based perovskite and either yttria-stabilized zirconia or ceria were investigated. The mechanical compatibility and possible inter-diffusion between phases were characterized by scanning electron microscopy, X-ray diffraction, and energy-dispersive X-ray spectroscopy. A gradual disappearance of Ce-containing phases with an increase in the temperature of reduction in hydrogen was noticed. Moreover,...
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Towards Temperature Dependent Coarse-grained Potential of Side-chain Interactions for Protein Folding Simulations
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A unified coarse-grained model of biological macromolecules based on mean-field multipole–multipole interactions
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Multi-layer graphene oxide alone and in a composite with nanosilica: Preparation and interactions with polar and nonpolar adsorbates
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Supramolecular Synthesis Based on a Combination of Se···N Secondary Bonding Interactions with Hydrogen and Halogen Bonds
PublicationExamination of the solid state structures of 2,1,3-benzoselenadiazole complexes with hydrogen or halogen bond donors has demonstrated that the 2,1,3-benzoselenadiazole molecules preferably form centrosymmetric dimers with use of [Se–N]2 supramolecular synthon, whereas the two remaining nitrogen atoms not involved in the [Se–N]2 supramolecular interactions can act as acceptors of hydrogen or halogen bonds. Cocrystallization of selenadiazoles...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Metal–metal interactions in bent cyano-bridged trinuclear octacyanomolybdate(IV)–platinum(IV) complexes
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Air bubble and oil droplet interactions in centrifugal fields during air-sparged hydrocyclone flotation
PublicationWzajemne oddziaływania pęcherzyka powietrza i kropli oleju w polu siły odśrodkowej były rozpatrywane w odniesieniu do warunków procesowych obecnych podczas flotacji za pomocą hydrocyklonu. Efektywności zetknięcia się kropli oleju z pęcherzykami powietrza zostały zidentyfikowane jako znacząco mniejsze w porównaniu do efektywności zetknięcia się cząstek minerałów. Wyznaczono czasy zderzenia i styku ślizgowego. Chociaż przyczepność...
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GTR/Thermoplastics Blends: How Do Interfacial Interactions Govern Processing and Physico-Mechanical Properties?
PublicationIn this work, GTR/thermoplastics blends (in ratio 50/50 and 75/25 wt.%) were prepared by melt-compounding in an internal mixer. During research, trans-polyoctenamer rubber (TOR), ethylene-vinyl acetate copolymer (EVA), ethylene-octene copolymer (EOC), and linear low-density polyethylene (LLDPE), were used in their thermoplastic phase. Microstructure and processing-performance property interrelationships of the studied materials...
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Proton-Electron Hole Interactions in Sr(Ti,Fe)O3−δ Mixed-Conducting Perovskites
PublicationOxides in which total electrical conductivity is determined by the partial conductivities of three types of charge carriers i.e. holes/ electrons, oxygen ions, and protons are key components of well-functioning proton ceramic fuel cells. Apart from electrochemical properties also easily modified microstructure is an important feature of the electrodes. In the paper, a group of SrTi1−xFexO3−δ (STF, x = 0.2–0.8) perovskites prepared...
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublicationCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Pursuing Listeners’ Perceptual Response in Audio-Visual Interactions - Headphones vs Loudspeakers: A Case Study
PublicationThis study investigates listeners’ perceptual responses in audio-visual interactions concerning binaural spatial audio. Audio stimuli are coupled with or without visual cues to the listeners. The subjective test participants are tasked to indicate the direction of the incoming sound while listening to the audio stimulus via loudspeakers or headphones with the head-related transfer function (HRTF) plugin. First, the methodology...
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Topochemical, Single‐Crystal‐to‐Single‐Crystal [2+2] Photocycloadditions Driven by Chalcogen‐Bonding Interactions
PublicationThe face-to-face association of (E)-1,2-di(4-pyridyl)ethylene (bpen) molecules into rectangular motifs stabilized for the first time by chalcogen bonding (ChB) interactions is shown to provide photoreactive systems leading to cyclobutane formation through single-crystal-to-single-crystal [2+2] photodimerizations. The chelating chalcogen bond donors are based on original aromatic, ortho-substituted bis(selenocyanato)benzene derivatives...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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The exposure to UV filters: Prevalence, effects, possible molecular mechanisms of action and interactions within mixtures
PublicationSubstances that can absorb sunlight and harmful UV radiation such as organic UV filters are widely used in cosmetics and other personal care products. Since humans use a wide variety of chemicals for multiple purposes it is common for UV filters to co-occur with other substances either in human originating specimens or in the environment. There is increasing interest in understanding such co-occurrence in form of potential synergy, antagonist,...
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The description of non-linear interactions of wave and non-wave modes in a non-adiabatic plasma flow
PublicationThe method of derivation of non-linear equations for interacting modes is explained and applied to a plasma's flow affected by a magnetic field. It is based on the linear projecting of the total perturbation field into specific variations of variables in individual modes of a flow. The method may be applied in many examples of fluid flows with different mechanisms of non-adiabaticity. It is of special importance in complex flows...