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Wyniki wyszukiwania dla: BIOMOLECULAR INTERACTIONS
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GTR/Thermoplastics Blends: How Do Interfacial Interactions Govern Processing and Physico-Mechanical Properties?
PublikacjaIn 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
PublikacjaOxides 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
PublikacjaCocrystals 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
PublikacjaThis 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
PublikacjaThe 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
PublikacjaIn 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
PublikacjaSubstances 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
PublikacjaThe 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...
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Theoretical investigation of the structural insights of the interactions of γ-Fe2O3 nanoparticle with (EMIM TFSI) ionic liquid
PublikacjaOne of the possible applications of ionic liquids is to produce electricity from heat. The iron oxide nanoparticle is a potent electrical particle, which is expected to improve the heat’s efficiency to electricity conversion, however, it is prone to aggregation and sedimentation, which hamper its application. One of the methods to enhance the nanoparticle’s solubility and electrical properties is the use of a stabilizing component...
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Antibiotic-sterol interactions provide insight into the selectivity of natural aromatic analogues of amphotericin B and their photoisomers
PublikacjaAromatic heptaene macrolides (AHMs) belong to the group of polyene macrolide antifungal antibiotics. Members of this group were the first to be used in the treatment of systemic fungal infections. Amphotericin B (AmB), a non-aromatic representative of heptaene macrolides, is of significant clinical importance in the treatment of internal mycoses. It includes the all-trans heptaene chromophore, whereas the native AHMs contain two...
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Application of an extended DLVO theory for the calculation of the interactions between emulsified oil droplets in alcohol solutions
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Application of the Harmonic Balance Method for Spatial Harmonic Interactions Analysis in Axial Flux PM Generators
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublikacjaSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Assessing the Interactions of Statins with Human Adenylate Kinase Isoenzyme 1: Fluorescence and Enzyme Kinetic Studies
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Human–environment interactions in medieval Poland: a perspective from the analysis of faunal stable isotope ratios
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Synergistic interactions and reaction mechanisms of biochar surface functionalities in antibiotics removal from industrial wastewater
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Determination of Odour Interactions in Gaseous Mixtures Using Electronic Nose Methods with Artificial Neural Networks
PublikacjaThis paper presents application of an electronic nose prototype comprised of eight sensors, five TGS-type sensors, two electrochemical sensors and one PID-type sensor, to identify odour interaction phenomenon in two-, three-, four- and five-component odorous mixtures. Typical chemical compounds, such as toluene, acetone, triethylamine, α-pinene and n-butanol, present near municipal landfills and sewage treatment plants were subjected...
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Interactions between bioactive components determine antioxidant, cytotoxic and nutrigenomic activity of cocoa powder extract
PublikacjaNumerous studies have shown, rather disappointingly, that isolated bioactive phytochemicals are not as biologically effective as natural plant products. Such a discrepancy may be explained by the concept of food synergy, which was verified in this research for cocoa extract versus its major components with regard to cancer chemoprevention. The evaluation embraced the relationship between redox properties evaluated in cell-free systems...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublikacjaDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Supramolecular Assemblies of Hydrogen Bonded Carboxylic Acid Dimers Mediated by Phenyl-Pentafluorophenyl Stacking Interactions.
PublikacjaKwas pentafluorobenzoesowy tworzy heterodimery z kwasami benzoesowym i 2,4,6-trimetylobenzoesowym w wyniku oddziaływań typu pi-pi reszt fenylowych i pentafluorofenylowych. Otrzymane kokryształy wymienionych kwasów z 1,4-bisarylobutadiynami zawierały homodimery tworzone przez cząsteczki kwasów, pomiędzy którymi znajdowały się cząsteczki diarylodiacetylenów.
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Interactions of amphotericin B derivative of low toxicity with biological membrane components - the Langmuir monolayer approach
PublikacjaMetodą monowarstw Langmuira zbadano naturę oddziaływań nowej pochodnej antybiotyku przeciwgrzybowego amfoterycyny B o niskiej toksyczności, tj. estru metylowego N-metylo-N-D-fruktopiranozyloamfoterycyny B (MF-AME)z komponentami błon biologicznych: ergosterolem, występującym w komórkach grzybowych i cholesterolem występującym w komórkach zwierzęcych oraz z modelowym fosfolipidem DPPC i na tej podstawie stwierdzono, że zróżnicowanie...
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Charge distribution and magnetic interactions in PrBa2Cu3O7 with substitutional defects and oxygen disorder: the ab initio approach
PublikacjaW artykule zaprezentowano rezultaty kwantowomechanicznych obliczeń ''ab initio: struktury elektronowej układu PrBa2Cu3O7 zawierającego defekty substytucyjne (Pr_Ba) w podsieci barowo-tlenowej oraz wykazującego zaburzoną stechiometrię tlenową (O5). Badane defekty są odpowiedzialne za redystrybucję ładunku w układzie. Defekty Pr_Ba generują silnie zlokalizowane momenty magnetyczne, które oddziałują głównie na płaszczyzny miedziowo-tlenowe.
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Intersections: Gender and Sexuality in Asia and the Pacific
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Journal of Interactional Research in Communication Disorders
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Local fixed point indices of iterations of planar maps
PublikacjaW artykule podana zostaje postać indeksów iteracji dla pewnej klasy odwzorowań planarnych. Podstawowymi narzędziami stosowanym w pracy są liczba Nielsena i indeks Conleya.
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Periodicity of a sequence of local fixed point indices of iterations
PublikacjaPraca uogólnia klasyczne twierdzenie Shuba i Sullivana o periodyczności ciągu indeksów punktu stałego iteracji odwzorowań gładkich na szerszą klasę przekształeń.
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Quadrtic convergence of monotone iterations of differential-algebraic equations
PublikacjaZastosowano tu metodę quazilinearyzacji do równań różniczkowo-algebraicznych z warunkiem początkowym. Pokazano, że odpowiednie iteracje monotoniczne są zbieżne do jedynego rozwiązania.
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Sequences of fixed point indices of iterations in dimension 2.
PublikacjaW pracy dowodzi się, że każdy ciąg liczb całkowitych spełniający relacje Dolda może zostać zrealizowany jako ciąg indeksów punktu stałego iteracji ciągłego odwzorowania dwuwymiarowego dysku w siebie.
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Acquisition et interaction en langue étrangère
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International Journal of Mobile Human Computer Interaction
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World Research Journal of Human-Computer Interaction
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Environmentally Oriented Models and Methods for the Evaluation of Drug x Drug Interaction Effects
PublikacjaThis 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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The effects of graphical interface design characteristics on human–computer interaction task efficiency
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Multidimensional Feature Selection and Interaction Mining with Decision Tree Based Ensemble Methods
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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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Interaction of amphotericin B and its selected derivatives with membranes: molecular modeling studies
PublikacjaJest 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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Shock wave - boundary layer interaction control by air-jet streamwise vortices
PublikacjaW 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 the conserved region 4.2 of sigma(E) with the RseA anti-sigma factor
PublikacjaEo-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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DFT study of low-energy electron interaction with pyridine, pyrazine and their halo derivatives
PublikacjaIn 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
PublikacjaThis 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
PublikacjaTitanium 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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The potential interaction of environmental pollutants and circadian rhythm regulations that may cause leukemia
PublikacjaTumor 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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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublikacjaCardiovascular 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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Shaping Place Identity through Interaction on the Example of the European Solidarity Centre in Gdansk
PublikacjaThe 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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Influence of excitons interaction with charge carriers on photovoltaic parameters in organic solar cells
PublikacjaWe 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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Sphere Drive and Control System for Haptic Interaction With Physical, Virtual, and Augmented Reality
PublikacjaA 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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Interaction of 4-nitrothiophenol with low energy electrons: Implications for plasmon mediated reactions
PublikacjaThe 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...