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Search results for: POSITRON MOLECULE INTERACTION
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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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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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Machine learning-based prediction of seismic limit-state capacity of steel moment-resisting frames considering soil-structure interaction
PublicationRegarding the unpredictable and complex nature of seismic excitations, there is a need for vulnerability assessment of newly constructed or existing structures. Predicting the seismic limit-state capacity of steel Moment-Resisting Frames (MRFs) can help designers to have a preliminary estimation and improve their views about the seismic performance of the designed structure. This study improved data-driven decision techniques in...
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Machine learning-based prediction of residual drift and seismic risk assessment of steel moment-resisting frames considering soil-structure interaction
PublicationNowadays, due to improvements in seismic codes and computational devices, retrofitting buildings is an important topic, in which, permanent deformation of buildings, known as Residual Interstory Drift Ratio (RIDR), plays a crucial role. To provide an accurate yet reliable prediction model, 32 improved Machine Learning (ML) algorithms were considered using the Python software to investigate the best method for estimating Maximum...
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Discrepancies in determination of biogenic amines in beer samples by reversed phase and hydrophilic interaction liquid chromatography coupled with tandem mass spectrometry
PublicationBiogenic amines (BAs) are nitrogenous organic bases occurring mainly in fermented food and beverages as a result of free amino acids bacterial decarboxylation. The reversed phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography (HILIC) based methods were compared in terms of usefulness for determination of BAs in beer samples. Analysis of BAs with the use of RPLC method were carried out after their...
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The lipid composition of Legionella dumoffii membrane modulates the interaction with Galleria mellonella apolipophorin III
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PhageScore-based analysis of Acinetobacter baumannii infecting phages antibiotic interaction in liquid medium
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The significance of VEGF-C/VEGFR-2 interaction in the neovascularization and prognosis of nephroblastoma (Wilms' tumour)
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Optimized configuration interaction approach for trapped multiparticle systems interacting via contact forces
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The influence of changes of soil parameters due to consolidation on the interaction of piles and soft soil layer
PublicationZaprezentowano problem wyznaczania bocznego parcia gruntu o małej wytrzymałości na pale. Opisano przypadki występowania bocznego obciążenia pali. Scharakteryzowano właściwości i zachowanie gruntów słabych stanowiących warstwę podłoża o małej wytrzymałości. Zaprezentowano propozycje obliczania bocznego parcia według różnych autorów. Przedstawiono wpływ konsolidacji na zmianę wytrzymałości gruntów słabych w czasie oraz na obliczanie...
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A method for predicting propeller-hull interaction, applicable to preliminary design of inland waterways ships
PublicationW pracy przedstawiono propozycje metody parametrycznej służącej do prognozowania charakterystyk strumienia nadążającego i ssania kadłuba okrętu o zanurzeniu bliskim głębokości akwenu. Metoda umożliwia uwzględnienie wpływu małej głębokości akwenu przy wstępnym doborze parametrów układu napędowego statków przeznaczonych do eksploatacji na wodach płytkich, np. statków śródlądowych. Model matematyczny zagadnienia wyznaczono uwzględniając...
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Structural studies on radiopharmaceutical DOTA-minigastrin analogue (CP04) complexes and their interaction with CCK2 receptor
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Triazolopeptides Inhibiting the Interaction between Neuropilin-1 and Vascular Endothelial Growth Factor-165
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Molecular aspects of the interaction between amphotericin B and a phospholipid bilayer: molecular dynamics studies.
PublicationAmfoterycyna B jest antybiotykiem z grupy polienów makrolidowych. Stosowany jest on w leczeniu układowych infekcji grzybowych. Wiadomo że związek ten oddziałuje ze składnikami błon lipidowych i tworzy kanały. W przedstawianej pracy prezentowane są wyniki symulacji przeprowadzonej dynamiką molekularną układu składającego się z 200 cząsteczek lipidów DMPC i jednej cząsteczki amfoterycyny ułożonej na powierzchni błony. Z przeprowadzonej...
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Study of particle - bubble interaction using atomic force microscopy - current possibilities and challenges
PublicationBadania oddziaływań pomiędzy cząstkami mineralnymi i pęcherzykami powietrza są kluczowe do zrozumienia przebiegu flotacji. Wykorzystanie mikroskopii sił atomowych (AFM) i techniki próbnika koloidalnego umożliwia pomiar takich oddziaływań.
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The role of colour preattentive processing in human–computer interaction task efficiency: A preliminary study
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The interaction of different abiotic conditions on the value of the component traits of the technological yield of sugar beet
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Implication of the disulfide bridge in trypsin inhibitor SFTI-1 in its interaction with serine proteinases
PublicationFourteen monocyclic analogues of trypsin inhibitor SFTI-1 isolated from sunflower seeds were synthesized by the solid-phase method. The purpose of this work was to establish the role of a disulfide bridge present in inhibitor's side chains of Cys3 and Cys11 in association with serine proteinases. This cyclic fragment was replaced by the disulfide bridges formed by L-pencillamine (Pen), homo-L-cysteine (Hcy), N-sulfanylethylglycine...
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Aqueous solutions of NMA, Na2HPO4 , and NaH2PO4 as models for interaction studies in phosphate–protein systems
PublicationPhosphate buffers are essential for many areas of studies. However, their influence on buffered systems is often ignored. The phosphate salts can interact with biologically important macromolecules (e.g. proteins) and stabilize or destabilize them. With our research, we want to answer question what kind of interactions, if any, occur between phosphate ions and a protein backbone model — N-methylacetamide (NMA). ATR-FTIR spectroscopy...
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Nonlinear Impedance as Possible Result of Ion-Polaron Interaction in Cu2O-Al2O3-SiO2 Glass
PublicationNonlinear a.c. impedance measurements were performed in Cu2O-Al2O3-SiO2 glass in wide frequency range. The obtained results shows that a large nonlinearity in the impedance signal is observed at moderate electric fields of an order 1V/mm. The contents of the third harmonics reaches about 10% and strongly depends on temperature and frequency. The investigated glass exhibits mixed electronic-ionic conductivity. Electronic conduction...
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Induction of chirality in 4,4'-azopyridine by halogen-bonding interaction with optically active ditopic donors
PublicationOptically active ditopic halogen bond donors bearing two 4-iodotetrafluorophenyl groups were obtained by reaction of chiral diols with iodopentafluorobenzene. Co-crystallization of these donors with anti-4,4′-azopyridine afforded binary complexes containing infinite chains of the alternating component molecules connected by halogen bonds. The solid state CD measurements confirmed that complexation induces optical activity of the...
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Synthesis and structural, electrochemical and photophysical studies of triferrocenyl-substituted 1,3,5-triphenylbenzene: a cyan-light emitting molecule showing aggregation-induced enhanced emission
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Theoretical estimation of acid–base properties of Lewis and Brønsted centres at the V-W-O catalyst surface: water molecule as the probe in DFT calculations
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Coupled Urban Areas Inundation Model with Interaction Between Storm Water System and Surface Flow - Case Study of Sea Level Impact on Seaside Areas Flooding
PublicationInundations are becoming more frequent than ever. What is connected with increasing area of impervious surface in cities. This makes predicting urban flooding and its scale especially important. At the seaside we observe additional conditions such as sea level that makes accurate numerical modelling of issue even harder. With complex approach to the matter which is simultaneous calculation of storm water conduit flow and overland...
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Hydrophobic hydration and pairwise hydrophobic interaction of Lennard-Jones and Mie particles in different water models
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On the theory and numerical simulation of acoustic and heat modes interaction in a liquid with bubbles: acoustic quasi-solitons
PublicationTeoria rzutowania zaburzenia ogólnego na mody. Zastosowanie metody do badań układu równań typu Korteweg`a-de Vries`a. Rozwiązania analityczne i simulacje numeryczne.
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Interaction of HLA-DRB1 Alleles with CTLA-4 in the Predisposition to Graves' Disease: The Impact of DRB1*07
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Effects of Immobilized RAP Binder on Asphalt-Aggregate Interaction and Performance of 100% Recycled Asphalt Mixtures
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Determination of LFER descriptors of 30 cations of ionic lquids - progress in understanding their molercular interaction potentials
PublicationW celu zrozumienia interakcji molekularnych trzydziestu kationów cieczy jonowych, zastosowano powszechnie znaną koncepcję liniowej zależności energii swobodnej (LFER). Deskryptory LFER dla nadmiarowej refrakcji molowej i objętości molowej, zostały obliczone in silico, natomiast kwasowość i zasadowość wiązań wodorowych, i polaryzowalność/dipoloarność kationów cieczy jonowych zostały oznaczone eksperymentalnie za pomocą wysokosprawnej...
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Superconducting SrSnP with Strong Sn–P Antibonding Interaction: Is the Sn Atom Single or Mixed Valent?
PublicationThe large single crystals of SrSnP were prepared using Sn self-flux method. The superconductivity in the tetragonal SrSnP is observed with the critical temperature of ∼2.3 K. The results of a crystallographic analysis, superconducting characterization, and theoretical assessment of tetragonal SrSnP are presented. The SrSnP crystallizes in the CaGaN structure type with space group P4/nmm (S.G. 129, Pearson symbol tP6) according...
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Perfectly Wetting Mixtures of Surfactants from Renewable Resources: The Interaction and Synergistic Effects on Adsorption and Micellization
PublicationThis paper presents a study of the surface properties of mixtures of surfactants originating from renewable sources, i.e., alkylpolyglucoside (APG), ethoxylated fatty alcohol (AE), and sodium soap (Na soap). The main objective was to optimize the surfactant ratio which produces the highest wetting properties during the analysis of the solution of the individual surfactants, twoand three-component mixtures, and at different pH values....
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Seismic pounding between adjacent buildings: Identification of parameters, soil interaction issues and mitigation measures
PublicationStructural pounding has been observed in many previous earthquakes due to insufficient gap commonly provided between adjacent structures. The collisions usually generate large impact forces and short duration acceleration pulses which may result in significant damage to the colliding buildings. Because of that, earthquake induced structural pounding has been intensively studied and investigated for the last three decades. Results...
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Comparison of hydrophilic interaction and reversed phase liquid chromatography coupled with tandem mass spectrometry for the determination of eight artificial sweeteners and common steviol glycosides in popular beverages
PublicationHydrophilic interaction liquid chromatography (HILIC) coupled with tandem mass spectrometry (MS/MS) was used to separate artificial and natural sweeteners approved for use in European Union (EU). Among three tested HILIC columns (BlueOrchid PAL-HILIC, Ascentis Express Si and Acclaim™ Trinity™ P2) the last one was selected for the development of HILIC method due to the best results obtained with it. Early eluting and coeluting compounds...
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Chromogenic Substrates of Bovine β-Trypsin: The Influence of an Amino Acid Residue in P1 Position on Their Interaction with the Enzyme
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Effect of time on the metal-support (Fe-MgO) interaction in CVD synthesis of single-walled carbon nanotubes
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Comparative Analysis of MicroRNA-Target Gene Interaction Prediction Algorithms Based on Integrated P-Value Calculation
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Comparative Analysis of microRNA-Target Gene Interaction Prediction Algorithms - The Attempt to Compare the Results of Three Algorithms
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Tribological and thermal behavior with wear identification in contact interaction of the Ti6Al4V-sintered carbide with AlTiN coatings pair
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Impact analysis of surface roughness of the plate-plate measuring system on resistance torque in interaction with MR fluid
PublicationMagnetorheological (MR) fluids are complex suspensions of magnetic particles in a non-magnetic carrier fluid. They exhibit ‘smart’ properties that enable them to change their rheological parameters in response to a change in the external magnetic field applied. This behavior is used in some engineering solutions, e.g. MR clutches or brakes. For such systems to work correctly, the resistance torque achieved by contact with the...
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Molecular mobility of water protons under interaction with chemically modified starches. DSC and HMR-relaxation investigations
PublicationThe change of water protons mobility in the system chemically modified starches – water were investigated by DSC and NMR-relaxation methods. The amount of unfrozen water at subzero temperature as well as additional unfrozen water which appears after gelatinization have lower values for chemically modified starches in comparison with the native starch. The proton spin-spin relaxation time Т2 for chemically modified starch samples,...
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The interaction between bacterial abundance and selected pollutants concentration levels in an arctic catchment (southwest Spitsbergen, Svalbard)
PublicationPersistent organic pollutants (POPs) have been a topic of interest in environmental sciences for > 60 years. POPs in the Arctic have been investigated since the 1970s, when first atmospheric measurements revealed the presence of these pollutants in the polar regions. Major contaminant transport routes to the Arctic include atmospheric and oceanic transport, as well as inflow from rivers and sea ice. The sources of pollutants, such...
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Site-selective cation–π interaction as a way of selective recognition of the caesium cation using sumanene-functionalized ferrocenes
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Study on the effect of the metal–support (Fe-MgO and Pt-MgO) interaction in alcohol-CVD synthesis of carbon nanotubes
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Preliminary performance evaluation of a high resolution small animal PET scanner with monolithic crystals and depth-of-interaction encoding
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Non-Targeted Metabolite Profiling Reveals Host Metabolomic Reprogramming during the Interaction of Black Pepper with Phytophthora capsici
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The EU European contribution to global coastal zone research: an ELOISE (European Land-Ocean Interaction Studies) project
PublicationW artykule omówiono strukturę oraz cele i zadania programu ELOISE, finansowanego przez Wspólnotę Europejską. W ramach projektu realizowane są 4 główne zadania badawcze:1. cykle biochemiczne i strumienie zanieczyszczeń,2. struktura i funkcjonowanie ekosystemów,3. modelowanie i zarządzanie informacjami o środowisku,4. integracja nauk przyrodniczych i socjoekonomicznych.
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Poly(3,4-ethynenedioxythiophene)-Prussian Blue hybrid material evidence of direct chemical interaction betwenn PB andpEDOT
PublicationPrzedstawiono syntezę materiału złożonego z poli(3,4-etylenodioksytiofenu) oraz analogu błękitu pruskiego. Sieć struktury BP utworzona została wewnątrz matrycy polimerowej pEDOT-u za pomocą metody polaryzacji multicyklicznej. Chemiczne oddziaływania Fe z BP oraz siarki z pEDOT zostały potwierdzone metodą XPS. Obecność BP potwierdzono FTiR - stwierdzono obecność drgań rozciągających Fe-C oraz Fe-N. Metoda cyklowoltamperometryczna...