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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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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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Integrating Digital Twin Technology Into Large Panel System Estates Retrofit Projects
PublicationAs sustainability is now a standard for the proposed developments, the focus ought to be shifted towards the existing buildings and, among them, the worldwide stock of large panel system (LPS) buildings. Major upgrades and retrofits were done to some of the LPS estates in Germany and France, but a leading sustainable way must still be developed for LPS buildings in Eastern European countries, where apartments in those half‐a‐century‐old...
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Phosphorescence response to excitonic interactions in Ir organic complex-based electrophosporescent emitters
PublicationSpadek kwantowej wydajności fosforescencji ze wzrostem natężenia światła wzbudzajacego w Ir(ppy)3 tworzącym 100% warstwę naparowaną próżniowo oraz w Ir(ppy)3 umieszczonym w matrycy polimerowej PC:TPD, jest wywołany odziaływaniami między ekscytonami trypletowymi. Stała oddziaływania tryplet-tryplet wynosi (1-3)x 10-12 cm3/s i tylko nieznacznie zależy od stężenia Ir(ppy)3 w warstwie.
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Microbiology
e-Learning CoursesMicrobiology interactive lectures are dedicated to those who are interested in the role of microorganisms on our planet and their interaction with other living organisms and inorganic elements as well as more complex chemical compounds.
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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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NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
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Journal of Research in Interactive Marketing
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Interactive Cardiovascular and Thoracic Surgery
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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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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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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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Influence of the substituent on amide nitrogen atom of N-acetyl tyrosine on interactions with β-cyclodextrin
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Civil Projects (Participatory), Company Funds and Small Grants as Factors Integrating Local Communities
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The role of the LB structural loop and its interactions with the PDZ domain of the human HtrA3 protease
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PhageScore-based analysis of Acinetobacter baumannii infecting phages antibiotic interaction in liquid medium
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Transformation pathways and fate of engineered nanoparticles (ENPs) in distinct interactive environmental compartments: A review
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The role of colour preattentive processing in human–computer interaction task efficiency: A preliminary study
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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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Estimation of nitrogen leaching load from agricultural fields in the Puck Commune with an interactive calculator
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The lipid composition of Legionella dumoffii membrane modulates the interaction with Galleria mellonella apolipophorin III
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Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
PublicationHyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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The importance of diurnal and nocturnal activity and interspecific interactions for space use by ants in clear-cuts
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Is the Identification of SNP-miRNA Interactions Supporting the Prediction of Human Lymphocyte Transcriptional Radiation Responses?
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
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Large-scale multimedia content delivery over optical networks for interactive TV services
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Effect of chitosan on the interactions between phospholipid DOPC, cyclosporine A and lauryl gallate in the Langmuir monolayers
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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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Interactions of fish gelatin and chitosan in uncrosslinked and crosslinked with EDC films: FT-IR study
PublicationFilms based on fish gelatin, chitosan and blend of fish gelatin and chitosan before and after cross-linking with EDC have been characterized by FT-IR spectroscopy. The FT-IR spectrum of fish gelatin film showed the characteristic amide I, amide II and amide III bands, and the FT-IR spectrum of chitosan film confirmed that the polymer was only a partially deacetylated product, and included CH3-C=O and NH2 groups, the latter both...
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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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Interaction of Acoustic and Thermal Modes in the Gas with Nonequilibrium Chemical Reactions: Possibilities of Acoustic Cooling
PublicationNonlinear generation of thermal mode during propagation of dominative sound in a chemically reacting gas is considered. The dynamic equation of excess temperature associated with the thermal mode is derived. It is instantaneous and includes quadratic nonlinear acoustic source reflecting the nonlinear character of interaction between acoustic and non-acoustic types of gas motion. Both periodic and aperiodic sound may be considered...
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Interactive visualization of marine pollution monitoring and forecasting data via a Web-based GIS
PublicationArtykuł prezentuje zastosowanie sieciowego Systemu Informacji Geograficznej do monitoringu i prezentacji wyników modelowania plam ropy na morzu. Omawiany system wykorzystuje technologie ESRI ArcIMS (Arc Internet Map Server) oraz Open Source GeoServer z biblioteką klienta OpenLayers w celu wizualizacji i mapowania rozprzestrzeniania się wycieku ropy w dwóch wybranych obszarach Morza Egejskiego w Grecji. Przedstawiony GIS stanowi...
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Exact resultant equilibrium conditions in the non-linear theory of branching and self-intersecting shells
PublicationWe formulate the exact, resultant equilibrium conditions for the non-linear theory of branching and self-intersecting shells. The conditions are derived by performing direct through-the-thickness integration in the global equilibrium conditions of continuum mechanics. At each regular internal and boundary point of the base surface our exact, local equilibrium equations and dynamic boundary conditions are equivalent, as expected,...
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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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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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Statistical Method for Analysis of Interactions Between Chosen Protein and Chondroitin Sulfate in an Aqueous Environment
PublicationWe present the statistical method to study the interaction between a chosen protein and another molecule (e.g., both being components of lubricin found in synovial fluid) in a water environment. The research is performed on the example of univariate time series of chosen features of the dynamics of mucin, which interact with chondroitin sulfate (4 and 6) in four different saline solutions. Our statistical approach is based on recurrence...
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Development of novel optoelectronic sensory structures utilising colour centres in nanodiamonds and their interactions with analytes
PublicationThe goal of this dissertation was to develop and assess surface modifications of fluorescent nanodiamonds (NDs) for optical sensing. Three modification routes were tested, each aimed at a different application. Modification with poly-L-lysine (pLys) was verified for optical sensing of pH via an interrelationship between electrically negative (NV¯) and neutral (NV0) nitrogen-vacancy centres. Immobilisation of Ochratoxin A (OTA),...
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Probabilistic assessment of SMRFs with infill masonry walls incorporating nonlinear soil-structure interaction
PublicationInfill Masonry Walls (IMWs) are used in the perimeter of a building to separate the inner and outer space. IMWs may affect the lateral behavior of buildings, while they are different from those partition walls that separate two inner spaces. This study focused on the seismic vulnerability assessment of Steel Moment-Resisting Frames (SMRFs) assuming different placement of IMWs incorporating nonlinear Soil-Structure Interaction (SSI)....
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An advanced tool integrating failure and sensitivity analysis into novel modeling of the stormwater flood volume
PublicationAn innovative tool for modeling the specific flood volume was presented that can be applied to assess the need for stormwater network modernization as well as for advanced flood risk assessment. Field measurements for a catchment area in Kielce, Poland, were used to apply the model and demonstrate its usefulness. This model extends the capability of recently developed statistical and machine learning hydrodynamic models developed...
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Initial Investigation of Wave Interactions During Simultaneous Valve Closures in Hydraulic Piping Systems
PublicationThe effects of interference of pressure waves in simple piping systems were studied. A freeware computer code Allievi developed at the University of Valencia was used to simulate dynamic waveforms in simple and complex networks. The tests were carried out according to three scenarios. No pressure increases significantly exceeding the Joukowsky pressure in simple cases were noticed. When the effects of the simultaneous closing of...
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Insight into (Electro)magnetic Interactions within Facet-Engineered BaFe12O19/TiO2 Magnetic Photocatalysts
PublicationA series of facet-engineered TiO2/BaFe12O19 composites were synthesized through hydrothermal growth of both phases and subsequent deposition of the different, faceted TiO2 nanoparticles onto BaFe12O19 microplates. The well-defined geometry of the composite and uniaxial magnetic anisotropy of the ferrite allowed alternate interfaces between both phases and fixed the orientation between the TiO2 crystal structure and the remanent...
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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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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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Electroanalytical and spectroscopic procedures for examination of interactions between double stranded DNA and intercalating drugs
PublicationPrzedstawiono metodę elektrochemicznego opisu oddziaływań dsDNA ze związkiem biologicznie czynnym w warunkach, w których zarówno badany związek jak i cząsteczka DNA są w roztworze elektrolitu. Opracowano warunki pomiaru, gdzie ani związek, ani DNA nie adsorbuje na elektrodzie. Wykazano, podobnie jak podczas badania innymi metodami, że oddziaływania są dwojakiego rodzaju: elektrostatyczne i poporzez interkalację.
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Multi-state vibronic interactions in the fluorobenzene radical cation: The importance of quadratic coupling terms
PublicationThe multi-mode multi-state vibronic interactions in the set of X^2B_1 - D^2A_1 electronic states of the monofluoro benzene radical cation are investigated theoretically, based on a quadratic vibronic coupling approach. The underlying ionization potentials and coupling constants are obtained from ab initio coupled-cluster calculations. Previous investigations (relying on the linear coupling approach) are extended by including all...