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Wyniki wyszukiwania dla: STRUCTURAL TOPIC MODELLING
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Modelowanie procesów migracji zanieczyszczeń organicznych w środowisku wodnym = Modelling of migration of organic xenobiotics in aquatic environment
PublikacjaPrzedstawiono zagadnienia związane z modelowaniem migracji związków chemicznych w środowisku. Zamieszczono także sposób konstruowania modeli i przegląd najważniejszych typów modeli migracji wraz z przykładami oraz wyniki, jakie można uzyskać za pomocą poszczególnych grup modeli. W pracy zawarto również podział modeli migracji ze względu na sposób przedstawienia transportu zanieczyszczeń, poziom kompilacji i zakres obszaru modelowania....
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Application of Monte-Carlo method to modelling influence of selected soil heterogeneity on macrodispersion of pollutants in unsaturated soil medium
PublikacjaThe influence of soil heterogeneity on miscible solute transport in soil is analyzed. The transport process is simulated numerically using the Monte-Carlo method. This paper shows how different types of soil heterogeneity influence the process of contaminant spreading. If independent flow paths exist in the soil, the degree of the mixing of pollutants in the outflow from the soil profile is larger. If the preferential flow paths...
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Application of reversed-phase thin layer chromatography and QSRR modelling for prediction of protein binding of selected β-blockers
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MODELLING OF TOXIC COMPOUNDS EMISSION IN MARINE DIESEL ENGINE DURING TRANSIENT STATES AT VARIABLE PRESSURE OF FUEL INJECTION
PublikacjaTransient states are an important part of the spectrum of engine loads, especially the traction engines. In the case of marine diesel engines, transient states are of particular importance in reducing the analysis of motion units for special areas and maneuvering in port, the participation of transient states in the load spectrum significantly increases, also, the emission of toxic compounds from this period increases proportionally....
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Modelling the impact of the agricultural holdings and land-use structure on the quality of inland and coastal waters with an innovative and interdisciplinary toolkit
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Modelling charge transfer processes in C2+ -tetrahydrofuran collision for ion-induced radiation damage in DNA building blocks
PublikacjaInvestigations of collision-induced processes involving carbon ions and molecules of biological interest in particular DNA building blocks, are crucial to model the effect of radiation on cells in order to improve medical treatments for cancer therapy. Using carbon ions appears to be one of the most efficient ways to increase biological effectiveness to damage cancerous cells by irradiating deep-seated tumors. Therefore, interest...
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Modelling the impact of the agricultural holdings and land-use structure on the quality of inland and coastal waters with an innovative and interdisciplinary toolkit
PublikacjaThe changes taking place in the marine coastal zones are extremely important, as about 40% of the human population currently lives in the coastal areas (within 100 kilometres of the coastline) increasing anthropogenic pressure on the marine ecosystems. Agriculture is a significant source of nutrients to the marine environment that increase hypoxia, eutrophication and may pose a threat to the services provided by ecosystems. In...
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Integrated plant-wide modelling for evaluation of the energy balance and greenhouse gas footprint in large wastewater treatment plants
PublikacjaModern wastewater treatment plants (WWTPs) should maintain a balance between three combined sustainability criteria, including effluent quality, energy performance and greenhouse gas (GHG) emissions. All of these criteria were considered in the integrated plant-wide model developed in this study. The proposed model incorporates new features, including: (i) the addition of associated facilities to the overall energy balance and...
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Volterra series usefulness in modelling of the time-domain cross-talk phenomena in coupled microstrip lines with nonlinear termination
PublikacjaW pracy przedyskutowano możliwość wykorzystania szeregów Volterry do analizy zjawiska przesłuchu w sprzężonych liniach mikropaskowych z nieliniowym obciążeniem. Apracowano algorytm metody, zaś uzyskane wyniki numeryczne zweryfikowano poprzez porównania z wynikami badań eksperymentalnych linii obciążonych w torze transmisyjnym diodą Schottky'ego.
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Modelling of shear localization during granular flow within non-local hypoplasticity using material point method
PublikacjaArtykuł omawia wyniki numeryczne dotyczące powstawania lokalizacji odkształceń stycznych w materiałach granulowanych Obliczenia wykonano dla ściskania dwuosiowego i przypływu silosowego stosując hipoplastyczny model konstytutywny rozszerzony o długość charakterystyczną w ramach nielokalnej teorii. Zastosowano podejście punktów materialnych w celu uniknięcia nadmiernej deformacji elementów skończonych.
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Modelling of shear zones during quasi-static granular silo flow using material point method (MPM)
PublikacjaThe paper focuses on confined silo flow of cohesionless sand. The problem considered is a quasi-static flow in a plane strain model silo with parallel walls simulated with the material point method (MPM). The simulation used a non-local hypoplastic constitutive model. Initially, the paper validated the implemented numerical approach with basic element tests and a plane strain compression test. The subsequent MPM calculations for...
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WHAT DRIVES CROSS-COUNTRY DIFFERENCES IN EXPORT VARIETY? A BILATERAL PANEL APPROACH
PublikacjaA worldwide event like the 2020 Coronavirus outbreak can only reinforce the interest in modelling trade diversification as a key factor in countries’ vulnerability to external shocks. This paper adopts a detailed relative framework to study the determinants of product-level export variety in a large bilateral panel of developing and developed economies (16,770 country pairs in the period 1988–2014). We find that country pairs characterized...
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Signatures of post-zygotic structural genetic aberrations in the cells of histologically normal breast tissue that can predispose to sporadic breast cancer
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Effect of ionic liquids on the structural, thermal, andin vitrodegradation properties of poly(ε-caprolactone) synthesized in the presence ofCandida antarcticalipase B
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Induction of unique structural changes in guanine-rich DNA regions by the triazoloacridone C-1305, a topoisomerase II inhibitor with antitumor activities.
PublikacjaCelem pracy było scharakteryzowanie odziaływania związku C-1305 z DNA w porównaniu do innych inhibitorów topoizomerazy II. Badania pokazują, że C-1305 odziaływuje preferencyjnie z parami CG, interkaluje do DNA i zaburza sąsiednie otoczenie w bardzo charakterystyczny sposób, który nie został zaobserwowany u pozostałych 22 badanych związków.
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Development of Physics-Based Energy Functions that Predict Medium-Resolution Structures for Proteins of the α, β, and α/β Structural Classes
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Structural elucidation of transmembrane transporter protein bilitranslocase: Conformational analysis of the second transmembrane region TM2 by molecular dynamics and NMR spectroscopy
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Assessment of the structural evolution of polyimide-derived carbons obtained by phosphoric acid activation using Fourier transform infrared and Raman spectroscopy
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New heterometallic Co/Zn, Ag/Co, and Ag/Zn imidazolates: structural characterization and catalytic activity in the oxidation of organic compounds
PublikacjaNanocrystalline powders of monometallic and bimetallic imidazolates of Co, Zn, and Ag were produced by a reaction carried out in water. The powders were characterized by powder X-ray diffraction and the crystal structures of new compounds Ag2ZnIm4 and Ag2CoIm4 (Im = imidazolate) were solved. Heterometallic Co/Zn imidazolates showed the standard ZIF-8 crystal structure while Ag/Zn and Ag/Co systems were isostructural with the copper...
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Structural, optical and magnetic properties of Y3−0.02−xEr0.02Yb x Al5O12 (0 < x < 0.20) nanocrystals: effect of Yb content
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New coordination polymers based on a V-shaped ligand and lanthanides: Structural description and symmetry-luminescence correlation using europium as a probe
PublikacjaWe have synthesized new luminescent coordination polymers using 4,4'-sulfonyldibenzoic acid (H2SDA) and several lanthanide ions by open crystallization in DMF. Three different 1-D structures were obtained, as determined by single-crystal X-ray diffraction: [La(η2-NO3)(μ-SDA)(DMF)3]n (1), [Sm(η2-NO3)(μ-SDA)(DMF)2 2DMF]n (3), [Ln(η2-NO3)(μ-SDA)(DMF)2 DMF]n (Ln ¼ Eu (4), Dy (5), Ho (6), Er (7), Tm (8) and Lu(9)). A 2-D structure,...
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On some aspects of Concurrent Control Processes Modelling and Implementation in LAD Diagram Language With Use of New Generation Engineering Software
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Conformational studies of vasopressin and mesotocin using NMR spectroscopy and molecular modelling methods. Part II: studies in the SDS micelle
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Modelling of in-plane wave propagation in a plate using spectral element method and Kane-Mindlin theory with application to damage detection
PublikacjaThis paper presents results of experimental and numerical analyses of in-plane waves propagatingin a 5 mm-thick steel plate in the frequency range of 120-300 kHz. For such a thickness/frequency ratio,extensional waves reveal dispersive character. To model in-plane wave propagation taking into account thethickness-stretch effect, a novel 2D spectral element, based on the Kane-Mindlin theory, was formulated. Anapplication of in-plane...
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Operational System Modelling in a Focused Fire Alarm System with an Open and Signal Detection Circuit Supervising Railway Station Premises
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Modelling of in-plane wave propagation in a plate using spectral element method and Kane–Mindlin theory with application to damage detection
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Application of the Bodner-Partom constitutive equations for modelling of the technical fabric Valmex used for the hanging roof of the Forest Opera in Sopot
PublikacjaThe study of an inelastic properties of the technical fabric Valmex used for 20 years as the roof structure of the Forest Opera in Sopot (Poland) is presented. The uniaxial tensile laboratory tests with constant strain rate have been conducted and analysed. Parameters of the Bodner-Partom constitutive model have been identified and verified by numerical simulations. Two approaches of the parameters identification have been proposed:...
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Modelling of concrete facture at aggregate level using DEM based on x-ray mu CT images of internal structure
PublikacjaW artykule pokazano wyniki dyskretne DEM dla pękania betonu poddanego zginaniu. Beton został symulowany jako ośrodek 4-fazowy. Mikrostrukturę betonu określono na podstawie zdjęć uzyskanych mikro-tomografem. Szczególną uwagę zwrócono na zjawiska mikrostrukturalne podczas zarysowania na poziomie kruszywa.
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Modelling of concrete fracture at aggregate level using FEM and DEM based on X-ray uCT images of internal structure
PublikacjaArtykuł podejmuje problem pękania w zginanych belkach betonowych. Proces pękania był obserwowany przy zastosowaniu mikrotomografii . Zaobserwowany proces był symulowany numerycznie przy zastosowaniu metody elementów skończonych i metody elementów dyskretnych. Beton był opisany jako materiał 4-fazowy. Otrzymano dobrą zgodność wyników numerycznych z doświadczalnymi.
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MODELLING OF CONCRETE FRACTURE AT AGGREGATE LEVEL USING DEM BASED ON X-RAY mu CT IMAGES OF INTERNAL STRUCTURE
PublikacjaThe paper describes two-dimensional meso-scale numerical results of fracture in notched concrete beams under quasi-static three-point bending. Concrete was modelled as a random heterogeneous 4-phase material composed of aggregate particles, cement matrix, interfacial transitional zones (ITZs) and air voids. As a numerical approach, the discrete element method (DEM) was used. The concrete micro-structure in calculations was directly...
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Modelling of full-scale silo experiments with flow correcting inserts using material point method (MPM) based on hypoplasticity.
PublikacjaCharakterystyki przepływu materiałów sypkich w silosach mają znaczenie dla naporów wywieranych na ściany silosu. Można je zmieniać za pomocą różnych wkładek. W pracy omówiono wyniki liczbowe dotyczące ograniczonego przepływu niespoistego ziarnistego piasku w pełnowymiarowym silosie metalowym z różnymi symetrycznie rozmieszczonymi wkładami, służącymi do korekcji wzorca przepływu (podwójny stożek, stożek w stożku i odwrócony stożek)....
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Meso-mechanical modelling of damage in concrete using discrete element method with porous ITZs of defined width around aggregates.
PublikacjaArtykuł omawia wyniki obliczeń numerycznych pękania dla betonu stosując metodę elementów dyskretnych. Beton był opisany jako materiał 4-fazowy i był poddany zginaniu. W obliczeniach uwzględniono strefy ITZ o skończonej szerokości dookoła wszystkich ziaren kruszywa. Nacisk położono na przebieg mikropęknięć przy kruszywie. Wyniki porównano bezpośrednio z doświadczeniami. Obliczenia wykonano także dla szorstkich ziaren kruszywa....
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublikacjaNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Structural characterization and biological properties of a new dinuclear oxidovanadium(IV) N -(phosphonomethyl)iminodiacetate complex with the 4-amino-2-methylquinolinium cation
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The role of structural factors in the kinetics of cellular uptake of pyrazoloacridines and pyrazolopyrimidoakridines. Implications for overcoming multidrug resistance towards leukaemia K562/DOX cells.
PublikacjaOtrzymano dwie grupy związków: pyrazoloakrydony (PAC) i pyrazolopirymidoakrydony (PPAC). Zbadano molekularne podstawy różnic w aktywności cytotoksycznej otrzymanych związków na poziomie komórkowym wobec komórek opornych linii ludzkiej erytroleukemii K562/DOX z nadekspresją P-glikoproteiny. Zastosowano spektrofluorymetryczną metodę badania transportu związków, która pozwala obserwować zarówno dyfuzję fluoryzujących cząsteczek związku...
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Structural Transformation to Attain Responsible BIOSciences (STARBIOS2): Protocol for a Horizon 2020 Funded European Multicenter Project to Promote Responsible Research and Innovation
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Structural Transformation to Attain Responsible BIOSciences (STARBIOS2): Protocol for a Horizon 2020 Funded European Multicenter Project to Promote Responsible Research and Innovation
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General route for the synthesis of terminal phosphanylphosphido complexes of Zr(IV) and Hf(IV): Structural investigations of the first zirconium complex with a phosphanylphosphido ligand
PublikacjaReactions of R2P-P(SiMe3)Li with [Cp2MCl2] (M = Zr, Hf) in hydrocarbons yield the related terminal phosphanylphosphidocomplexes [Cp2M(Cl){(Me3Si)P-PR2-jP1}] (R = iPr and tBu). The solid state structures of [Cp2M(Cl){P(SiMe3)-PiPr2-jP1}] (M = Zr, Hf) were established by single crystal X-ray diffraction studies. The phosphido-P atoms adopt almost planar geometries and the phosphanyl P atoms adopt pyramidal geometries. The reaction...
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Structural and electrical properties of STF materials for SOFC applications = Właściwości strukturalne i elektryczne materiałów STF do zastosowań w SOFC
PublikacjaTytaniany strontu domieszkowane elazem (STF) rozważane są jako potencjalne materiały katodowe w SOFC do pracy w temperaturach z przedziału 600-800°C. Ich synteza, właściwości elektrochemiczne i strukturalne są w tym artykule badane. Analiza wydajności elektrochemicznej przeprowadzono za pomoc elektrochemicznej spektroskopii impedancyjnej na symetrycznych komórkach spieczonych w różnych temperaturach. Wzajemne oddziaływanie chemiczne...
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Controlling of Structural Ordering and Rigidity of β-SiAlON:Eu through Chemical Cosubstitution to Approach Narrow-Band-Emission for Light-Emitting Diodes Application
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Separation of nicotinic acid and its structural isomers using 1-ethyl-3-methylimidazolium ionic liquid as a buffer additive by capillary electrophoresis
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Synthesis and structural properties of (Y, Sr)(Ti, Fe, Nb)O3−δ perovskite nanoparticles fabricated by modified polymer precursor method
PublikacjaThe yttrium, iron and niobium doped-SrTiO3 powders have been successfully fabricated by a modified low–temperature synthesis method from a polymer complex. The usage of strontium hydroxide precursor instead of conventional strontium nitrate or strontium carbonate provides to the possibility of significant decrease of annealing temperature. It allows to prepare a material with sphere-shape grains of nanometric size (15–70 nm). The...
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Structural Insights into New Bi(III) Coordination Polymers with Pyridine-2,3-Dicarboxylic Acid: Photoluminescence Properties and Anti-Helicobacter pylori Activity
PublikacjaTwo novel coordination polymers, [Bi2(2,3pydc)2(2,3pydcH)2(H2O)]n(1) and {(Et3NH)2[Bi(2,3pydc)(2,3pydcH)Cl2]}n(2) were prepared using as a prolinker pyridine-2,3-dicarboxylic acid(2,3pydcH2). The obtained complexes were fully characterized by elemental analysis, TG/DTG, FT-IR,solid-state photoluminescence, DFT calculations and single-crystal X-ray diffraction. The obtainedcomplexes crystallized in the triclinicP-1 space group (1)...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublikacjaSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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Application of Generalized Regression Neural Network and Gaussian Process Regression for Modelling Hybrid Micro-Electric Discharge Machining: A Comparative Study
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Finite State Machine Based Modelling of Discrete Control Algorithm in LAD Diagram Language With Use of New Generation Engineering Software
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Modelling of steady state and transient performance of the synchronous generator considering harmonic distortions caused by non-uniform saturation of the pole shoe
PublikacjaIn this paper a synchronous generator model is described. This model is developed on the assumption that in loaded and no load conditions the saturation effect affects the pole shoe in a different way. The developed model is based on the multiple saliency model and is formulated using winding function approach in machine variables. The influence of the non-uniform saturation of the pole shoe in load conditions on the performance...
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Optical and structural properties of polycrystalline CVD diamond films grown on fused silica optical fibres pre-treated by high-power sonication seeding
PublikacjaIn this paper, the growth of polycrystalline chemical vapour deposition (CVD) diamond thin films on fused silica optical fibres has been investigated. The research results show that the effective substrate seeding process can lower defect nucleation, and it simultaneously increases surface encapsulation. However, the growth process on glass requires high seeding density. The effects of suspension type and ultrasonic power were...
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Anticancer and antimicrobial properties of novel η6-p-cymene ruthenium(ii) complexes containing a N,S-type ligand, their structural and theoretical characterization
PublikacjaRuthenium(II) complexes are lately of great scientific interest due to their chemotherapeutic potential asanticancer and antimicrobial agents. Here we present the synthesis of new pyrazole carbothioamidederivatives and their four arene–ruthenium complexes. The title compounds were characterized with theapplication of IR, NMR, mass spectrometry, elemental analysis and X-ray diffraction. Additionally, for newcomplexes DFT calculations...
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Anion–π recognition between [M(CN)6]3− complexes and HAT(CN)6: structural matching and electronic charge density modification
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