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Wyniki wyszukiwania dla: TRANSITION PROBABILITIES
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Financial Consequences of the Introduction of the Fit For 55 on the Example of Poland
PublikacjaIn Europe and in Poland, there is a growing conviction that climate action is a necessity. When creating long-term strategies or making current decisions, companies are increasingly taking into account issues related to sustainable development and reducing CO2 emissions. Following the signing of the Paris Agreement in 2015, countries around the world pledged to reduce greenhouse gas emissions by 2050 so that the average temperature...
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Properties of Oxygen Vacancy and Hydrogen Interstitial Defects in Strontium Titanate: DFT + Ud,p Calculations
PublikacjaThis work presents extensive theoretical studies focused on the mixed ion-electron transport in cubic strontium titanate (STO). A new approach to the description of this difficult system was developed within the framework of linear-scaling Kohn–Sham density functional theory, as realized in the ONETEP program. The description we present is free of any empirical parameters and relies on the Hubbard U and Hund’s J corrections applied...
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Intense and stable room-temperature photoluminescence from nanoporous vanadium oxide formed by in-ambient degradation of VI3 crystals
PublikacjaVanadium oxides have attracted research interest because their optoelectronic properties make them optically active with room-temperature photoluminescence (PL) emission, which, however, is not sufficiently intense for real applications. For this reason, many nanostructured vanadium oxides are currently fabricated through several precursors and different treatments to improve the PL efficiency and enhance the PL intensity. Herein,...
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Anionic states of C6Cl6 probed in electron transfer experiments
PublikacjaThis is the first comprehensive investigation on the anionic species formed in collisions of fast neutral potassium (K) atoms with neutral hexachlorobenzene (C6Cl6) molecules in the laboratory frame range from 10 up to 100 eV. In such ion-pair formation experiments, we also report a novel K+ energy loss spectrum obtained in the forward scattering giving evidence of the most accessible electronic states. The vertical electron affinity...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublikacjaThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Towards sustainable catalyst-free biomass-based polyurethane-wood composites (PU-WC): From valorization and liquefaction to future generation of biocomposites
PublikacjaA substantial aspect of materials engineering lies in the responsible process of designing polymer-based materials. Due to environmental pollution, excessive consumption of natural resources, and increasing environmental awareness of society, there is a massive need for polyurethane (PU) materials with reduced environmental impact. To date, research on catalyst-free polyurethane-wood composites (PU-WC) has demonstrated a huge potential...
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COVID-19 and digital deprivation in Poland
PublikacjaResearch background: The problem of digital deprivation is already known, but the COVID-19 pandemic has highlighted its negative consequences. A global change in the way of life, work and socialisation resulting from the epidemic has indicated that a basic level of digital integration is becoming necessary. During the lockdown, people were forced to use ICTs to adapt to a rapidly changing reality. Current experience with coronavirus...
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Two-step synthesis of niobium doped Na–Ca–(Mg)–P–Si–O glasses
PublikacjaNiobium doped biosolubility glasses in the Na–Ca–(Mg)–P–Si–O system were prepared by using an untypical two-step synthesis route. The parent glass was melted in air atmosphere at 1350 °C followed by re-melting the glass in Nb crucible with the addition of metallic Mg/Ca powder in the nitrogen atmosphere. The second melting step was carried out at 1450–1650 °C, using an induction furnace. The topography and structure of the obtained...
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Debonding of coin-shaped osseointegrated implants: Coupling of experimental and numerical approaches
PublikacjaWhile cementless implants are now widely used clinically, implant debonding still occur and is difficult to anticipate. Assessing the biomechanical strength of the bone–implant interface can help improving the understanding of osseointegration phenomena and thus preventing surgical failures. A dedicated and standardized implant model was considered. The samples were tested using a mode III cleavage device to assess the mechanical...
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Scaling scrum with a customized nexus framework: A report from a joint industry‐academia research project
Publikacjaespite a wide range of scaling frameworks available, large-scale agile transformations are not straightforward undertakings. Few organizations have structures in place that fit the predefined workflows – while once one applies an off-the-shelf framework outside of its prescribed process, guidance quickly runs out. In this paper, we demonstrate how to instantiate a method configuration process using a lightweight experimental approach...
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Structure redetermination, transport and thermal properties of the YNi3Al9 compound
PublikacjaSingle crystals of completely ordered variant of the YNi3Al9 compound were grown by self-flux method with excess of aluminum. The crystal structure of the title compound was redetermined from single crystal X-ray diffraction data. The structure adopts ErNi3Al9 type, space group R32, parameters of the unit cell a = 7.2838(2) Å, c = 27.4004(8) Å. The growth of relatively large single crystals of the YNi3Al9 compound, having completely...
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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublikacjaDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublikacjaWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Comprehensive Investigation of Stoichiometry–Structure–Performance Relationships in Flexible Polyurethane Foams
PublikacjaPolyurethane (PU) foams are versatile materials with a broad application range. Their performance is driven by the stoichiometry of polymerization reaction, which has been investigated in several works. However, the analysis was often limited only to selected properties and compared samples differing in apparent density, significantly influencing their performance. In the bigger picture, there is still a lack of comprehensive studies...
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Modelling AOB-NOB competition in shortcut nitrification compared with conventional nitrification-denitrification process
PublikacjaIn particular, mainstream deammonification and/or shortened nitrificationdenitrification via nitrite (so-called “nitrite shunt”) is a promising new treatment concept that has the potential to revolutionise how nitrogen removal is achieved at WWTPs. Understanding the role of the AOB/NOB competition in the nitrogen cycle in wastewater treatment systems will change operational strategies of the novel nitrogen removal processes. The...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublikacjaAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Different design aspects of an Organic Rankine Cycle turbine for electricity production using a geothermal binary power plant
PublikacjaIn recent years, pressure has been growing to increase the share of renewable energy sources in electricity generation, which may offer opportunities for the development of geothermal energy in regions that have been so far considered unprofitable in this respect. One such country currently undergoing an energy transition is Poland in which low-temperature geothermal resources are currently used for district heating and recreation...
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Międzysektorowa mobilność zatrudnienia oraz płac a efektywność rynku pracy.
PublikacjaCelem artykułu jest uzyskanie odpowiedzi na pytanie, czy ocenę efektywności funkcjonowania rynków pracy, rozumianej jako zdolność rynków do „oczyszczania się”, można przedstawić za pomocą analizy międzysektorowej mobilności płac oraz zatrudnienia. W połowie lat 90. XX wieku Paul Krugman dowodził, iż negatywne szoki gospodarcze skutkują w krajach europejskich wzrostem bezrobocia, natomiast w USA wzrostem rozpiętości płac. Tymczasem...
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COMBINING FUNCTIONAL AND AESTHETIC ASPECTS OF DAYLIGHTING IN SUSTAINABLE ARCHITECTURE WITH THE USE OF DIGITAL DESIGN METHODS
PublikacjaThe aesthetics of modern architecture should relate to its origins and goals - the environment, function, sustainability and its users. One of the conditions that meet the criteria is the presence of daylight and the use of its potential. The contemporary digital tools that support the design process allow to controlling the use of difficult and capricious materials, such as daylight. They also combine daylighting aspects with...
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ICT Diffusion Trajectories and Economic Development: Empirical Evidence for 46 Developing Countries
PublikacjaIn economic theory, technology is treated as a crucial factor contributing significantly to economic development. Seminal works of Schumpeter (Theory of economic development. Transaction Publishers, New Brunswick, 1934, J Econ Hist 7:149–159, 1947), Baumol (Am Econ Rev 76:1072–1084, 1986), Gerschenkron (Economic backwardness in economic perspective. Belknap Press, Cambridge, MA, 1962) or Abramovitz (J Econ Hist 46(2):385–406, 1986)...
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Molecular Targets for Anticandidal Chemotherapy
PublikacjaA relatively small number of anticandidal chemotherapeutics used in clinical practice is at least in part consequence of a limited number of their molecular targets: ergosterol in the membrane, lanosterol demethylase, b(1!3) glucan synthase, and DNA/RNA biosynthesis. Much more potential novel targets have been revealed by the comparative genomic studies identifying essential genes unique for Candida albicans or resulted from recognition...
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Dimensionally Consistent Nonlinear Muskingum Equation
PublikacjaAlthough the Muskingum equation was proposed nearly 75 years ago, it is still a subject of active research. Despite of its simple form, the real properties of this equation have not been comprehensively explained. This paper proposes a new interpretation of the linear McCarthy’s relation. This relation can be interpreted only together with the storage equation, whereas the Muskingum equation can be derived directly from the system...
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Model of optical phantoms thermal response upon irradiation with 975 nm dermatological laser
PublikacjaWe have developed a numerical model describing the optical and thermal behavior of optical tissue phantoms upon laser irradiation. According to our previous studies, the phantoms can be used as substitute of real skin from the optical, as well as thermal point of view. However, the thermal parameters are not entirely similar to those of real tissues thus there is a need to develop mathematical model, describing the thermal and...
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Programmatic Simulation of Laser Scanning Products
PublikacjaThe technology of laser scanning is widely used for producing three-dimensional digital representations of geographic features. The measurement results are usually available in the form of 3D point clouds, which are often used as a transitional data model in various remote sensing applications. Unfortunately, while the costs of Light Detection And Ranging scanners have dropped significantly in recent years, they are still considered...
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Reliability assessment of an OVH HV power line truss transmission tower subjected to seismic loading
PublikacjaThe study focuses on the reliability of a transmission tower OS24 ON150 + 10, an element of an OVH HV power line, under seismic loading. In order to describe the seismic force, the real-life recording of the horizontal component of the El Centro earthquake was adopted. The amplitude and the period of this excitation are assumed random, their variation is described by Weibull distribution. The possible space state of the phenomenon...
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Practical I-Voting on Stellar Blockchain
PublikacjaIn this paper, we propose a privacy-preserving i-voting system based on the public Stellar Blockchain network. We argue that the proposed system satisfies all requirements stated for a robust i-voting system including transparency, verifiability, and voter anonymity. The practical architecture of the system abstracts a voter from blockchain technology used underneath. To keep user privacy, we propose a privacy-first protocol that...
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EXPERIMENTAL AND NUMERICAL INVESTIGATIONS OF CONCRETE BEHAVIOUR AT MESO-LEVEL DURING QUASI-STATIC SPLITTING TENSION
PublikacjaThe paper describes experimental and numerical results of quasi-static splitting tensile tests on concrete specimens at meso-scale level. The loading strip was made of plywood or steel. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: 3D x-ray micro-computed tomography, 2D scanning electron microscope and manual 2D digital microscope. The discrete element method was used to directly...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublikacjaThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Bandwidth Dependence of the Propagation Channel in Circular Metallic BAN Environments
PublikacjaIn this paper, the bandwidth dependence of the propagation channel for Body Area Networks (BANs) in circular metallic environments is addressed and models are proposed to evaluate the appropriate short-term fading margins that should be considered as a function of the system bandwidth. The deployment of BANs in metallic indoor environments, such as ships, factories, warehouses and other similar environments, involves additional...
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Structural and luminescent study of TeO2-BaO-Bi2O3-Ag glass system doped with Eu3+ and Dy3+ for possible color-tunable phosphor application
PublikacjaTellurite glass systems of 73TeO2-4BaO-3Bi2O3-1Ag:xEu2O3-(2-x)Dy2O3 (where x = 0.5, 1, 1.5, 2 in molar ratio) composition have been successfully synthesized. In order to acquire Ag nanoparticles, materials have been heat treated at 350 °C in the air atmosphere. Structural properties of obtained samples were evaluated with various techniques. X-Ray Diffraction (XRD) measurements indicated that obtained materials are amorphous in...
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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Gdańsk’s Cultural Heritage. The City Centre District and Municipal Historical Policy
PublikacjaThe current municipal historical policy of Gdańsk focuses on two major museum projects purported to be a unique embodiment of the city’s cultural heritage. Their underlying narrative, which is told from the European perspective, is based on two great events of the 20th century and seems to disregard the cultural heritage recorded in the urban structure of the city centre. However, it is precisely this urban structure that exerts...
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Smart Services for Improving eCommerce
PublikacjaThe level of customer support provided by the existing eCom-merce solutions assumes that the person using the functionality of theshop has sufficient knowledge to decide on the purchase transaction. Alow conversion rate indicates that customers are more likely to seekknowledge about the particular product than finalize the transaction.This is facilitated by the continuous development of customers’ digi-tal...
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Discrete element method simulations of fracture in concrete under uniaxial compression based on its real internal structure
PublikacjaThe paper describes experimental and numerical results of concrete fracture under quasi-static uniaxial compression. Experimental uniaxial compression tests were performed on concrete cubic specimens. Fracture in concrete was detected at the aggregate level by means of three non-destructive methods: three-dimensional X-ray microcomputed tomography, two-dimensional scanning electron microscope and manual two-dimensional digital...
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Noise in biological Raman spectroscopy
PublikacjaRaman spectroscopy is a widely used method to investigate chemical molecules by analyzing their vibrational transitions. It utilizes inelastic scattering of the laser light irradiating the investigated object. The scattered light requires appropriate filtering to reduce dominant laser light and expose much weaker components having shifted wavelengths of a characteristic spectral pattern. These components are measured by dispersing...
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Eu2Mg3Bi4: Competing Magnetic Orders on a Buckled Honeycomb Lattice
PublikacjaThe honeycomb lattice and its derived variants provide information on modeling and designing quantum magnets. A novel magnetic material, Eu2Mg3Bi4, which stabilizes in a previously unknown buckled honeycomb lattice, was discovered by high-pressure and high-temperature methods. We report here on the synthesis exploration of pure single crystals, structural determination of the buckled honeycomb lattice of europium moments, and experimental observation...
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Up-conversion white emission and other luminescence properties of a YAG:Yb2O3·Tm2O3·Ho2O3@SiO2 glass-nanocomposite
PublikacjaWe report on a glass-nanocomposite material consisting of yttrium aluminum garnet (Y3Al5O12, YAG) nanocrystals co-doped with Yb3+, Tm3+ and Ho3+ ions as well as entrapped into a SiO2 xerogel. This 94YAG·5Yb2O3·0.8Tm2O3·0.2Ho2O3@SiO2 (abbr. YAG:YbTmHo@SiO2) nanocomposite material has been prepared by sol–gel procedure. Its structure and morphology has been characterized by means of X-ray diffraction (XRD) and scanning electron microscope...
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Application of gas chromatography–tandem mass spectrometry for the determination of amphetamine-type stimulants in blood and urine
PublikacjaAmphetamine, methamphetamine, phentermine, 3,4-methylenedioxyamphetamine (MDA), 3,4-methylenedioxymethamphetamine (MDMA), and 3,4-methylenedioxy-N-ethylamphetamine (MDEA) are the most popular amphetamine-type stimulants. The use of these substances is a serious societal problem worldwide. In this study, a method based on gas chromatography-tandem mass spectrometry (GC-MS/MS) with simple and rapid liquid-liquid extraction (LLE)...
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The effect of metal cluster deposition route on structure and photocatalytic activity of mono- and bimetallic nanoparticles supported on TiO2 by radiolytic method
PublikacjaTiO2 (P25) was modified with small and relatively monodisperse mono- and bimetallic clusters (Ag, Pd, Pt, Ag/Pd, Ag/Pt and Pd/Pt) induced by radiolysis to improve its photocatalytic activity. The as-prepared samples were characterized by X-ray fluorescence spectrometry (XRF), photoluminescence spectrometry (PL), diffuse reflectance spectroscopy (DRS), X-ray powder diffractometry (XRD), scanning transition electron microscopy (STEM)...
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Changes in gene methylation patterns in neonatal murine hearts: Implications for the regenerative potential
PublikacjaBackground The neonatal murine heart is able to regenerate after severe injury; this capacity however, quickly diminishes and it is lost within the first week of life. DNA methylation is an epigenetic mechanism which plays a crucial role in development and gene expression regulation. Under investigation here are the changes in DNA methylation and gene expression patterns which accompany the loss of regenerative potential. Results The...
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Identification and characterization of single-stranded DNA-binding protein from the facultative psychrophilic bacteria Pseudoalteromonas haloplanktis
PublikacjaSingle-stranded DNA-binding protein (SSB) plays an important role in DNA metabolism such as DNAreplication, repair, and recombination, and is essential for cell survival. This study reports on the ssb-likegene cloning, gene expression and characterization of a single-stranded DNA-binding protein of Pseudoal-teromonas haloplanktis (PhaSSB) and is the first report of such a protein from psychrophilic microorganism.PhaSSB possesses...
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An Investigation of Polyamides Based on Isoidide-2,5-dimethyleneamine as a Green Rigid Building Block with Enhanced Reactivity
PublikacjaNovel, semicrystalline polyamides and copolyamides were synthesized from a new carbohydrate-based diamine, namely isoidide-2,5-dimethyleneamine (IIDMA). In combination with 1,6-hexamethylene diamine (1,6-HDA) as well as the biobased sebacic acid (SA) or brassylic acid (BrA), the desired copolyamides were obtained via melt polymerization of the nylon salts followed by a solid-state polycondensation (SSPC) process. Depending on the...
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The Metal-Free Regioselective Deuteration of 2-Methylquinolin-8-ol and 2,5-Dimethylquinolin-8-ol, Spectroscopic and Computational Studies
PublikacjaAbstract: Aim and Background: Introducing deuterium to a molecule is of interest to a wide variety of research, including investigation of reaction mechanisms or kinetics, analysis of drug metabolism, structural elucidation of molecules, and syntheses of isotopically labeled materials used for NMR spectroscopy and medicinal research. Objective: The transition-metal-free regioselective deuteration of 2-methylquinolin-8-ol...
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Specialization and inequality along the development path: an interindustry analysis.
PublikacjaCelem niniejszej rozprawy doktorskiej jest przeprowadzenie empirycznej analizy procesów zwišzanych ze zmianami w strukturze specjalizacyjnej państw w procesie rozwoju ekonpmicznego oraz zwišzanych z nimi efektami dystrybucyjnymi dotyczšcymi rozkładu płac i dochodu. Rozprawa składa się z czterech częci: I. Employment and export specialization patterns versus GDP per capita performance - unifying approach; II.Determinants of export...
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Synthesis, structure and properties of novel poly(hydroxyurethane)s obtained by non-isocyanate route
PublikacjaNon-isocyanate polyurethanes (NIPUs) can be synthesized by polyaddition of five-membered bis(cyclic carbonate)s and primary diamines. NIPUs are an alternative for the commonly used (in the form of foams, elastomers, coatings or fibers) in the industry polyurethanes obtained using toxic and moisture sensitive diisocyanates, polyols and low-molecular weight chain extenders. The main aim of this work was to synthesize non-isocyanate...
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Experimental study of flow boiling pressure drop and heat transfer of R1233zd(E) at moderate and high saturation temperatures
PublikacjaThe paper presents the results of experimental study of flow boiling of R1233zd(E) in minichannel at moderate and high saturation temperatures. The heat transfer coefficient and pressure drop were measured for flow boiling in a stainless steel tube with 2 mm inside diameter and a length of 300 mm. Experiment has been conducted for saturation temperatures ranging from 83 to 145 °C which corresponds to values of reduced pressures...
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Oxidation kinetics of Zircaloy-4 alloy at 673 K determined by GDOES technique
PublikacjaOxidation of zirconium alloys is a process that takes place during the operation of nuclear reactors and is essential for assessing the durability of fuel claddings. The present study was aimed to determine the oxidation kinetics of the Zircaloy-4 alloy using GDOES (glow discharge optical emission spectroscopy) at temperature 673 K corresponding to the conditions of use of fuel pellets. The tests were performed on non-oxidized...
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Man in Early Islamic Philosophy: Al-Kindi and Al-Farabi
PublikacjaMan was, neither for Al-Kindi, nor for Al-Farabi, a clearly isolated object of philosophical reflection. This does not mean, however, that both Islamic philosophers were not at all concerned with the uniqueness of man, his nature or the purpose of his existence. In order to understand and analyze in depth the philosophies of man voiced by Al-Kindi and Al-Farabi, one must focus primarily on their epistemologies, on their philosophical...
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Small regulatory bacterial RNAs regulating the envelope stress response
PublikacjaMost bacteria encode a large repertoire of RNA-based regulatory mechanisms. Recent discoveries have revealed that the expression of many genes is controlled by a plethora of base-pairing noncoding small regulatory RNAs (sRNAs), regulatory RNA-binding proteins and RNA-degrading enzymes. Some of these RNA-based regulated processes respond to stress conditions and are involved in the maintenance of cellular homeostasis. They achieve...
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Recent advances in 3D bioprinted tumor models for personalized medicine
PublikacjaCancerous tumors are among the most fatal diseases worldwide, claiming nearly 10 million lives in 2020. Due to their complex and dynamic nature, modeling tumors accurately is a challenging task. Current models suffer from inadequate translation between in vitro and in vivo results, primarily due to the isotropic nature of tumors and their microenvironment's relationship. To address these limitations, hydrogel-based 3D bioprinting...