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Wyniki wyszukiwania dla: hydrogen evolution reaction
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Investigation on water infiltration and water content changes in a large-scale experimental test dike
PublikacjaThe paper presents result of series of experiments made within the DREDGDIKES project, performed on a test dike built from composite soil. The composite is produced by mixing fly ash (by-product of energetics) with dredged material (sand) taken from the mouth of The Vistula river. The test dike, located near Gdansk in Poland, was subjected to hydraulic load in several flooding time scenarios and the unsaturated unsteady flow was...
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From flow to jamming: Lattice Gas Automaton simulations in granular materials
PublikacjaWe introduce the first extension of a Lattice Gas Automaton (LGA) model to accurately replicate observed emergent phenomena in granular materials with a special focus on previously unexplored jamming transitions by incorporating gravitational effects, energy dissipation in particle collisions, and wall friction. We successfully reproduce flow rate evolution, density wave formation, and jamming transition observed in experiments....
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Numerical investigations on early indicators of fracture in concrete at meso-scale.
PublikacjaFracture is a major reason of the global failure of concretes. The understanding of fracture is important to ensure the safety of structures and to optimize the material behaviour. In particular an early prediction possibility of fracture in concretes is of major importance. In this paper, concrete fracture under bending was numerically analysed using the Discrete Element Method (DEM). The real mesoscopic structure of a concrete...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublikacjaIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1: 4, 1: 6 and 1: 8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Study of the Anti-Staphylococcal Potential of Honeys Produced in Northern Poland
PublikacjaThe antimicrobial activity of 144 samples of honeys including 95 products from apiaries located in Northern Poland was evaluated. The antibacterial activity of those natural products, their thermal stability, and activity in the presence of catalase was investigated by microdilution assays in titration plates. The MTT assay was performed for the determination of anti-biofilm activity. Spectrophotometric assays were used for the...
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Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublikacjaHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...
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Enhanced boron doping of thin diamond films grown in deuterium-rich microwave plasma
PublikacjaThe boron-doped diamond thin films were growth in deuterium rich microwave plasma in CVD process. The mechanism of influence of plasma composition on boron doping level was studied using optical emission spectroscopy. Deuterium rich plasma results in an increased dissociation of B2H6 precursor and intense boron-radicals' production. In consequence, a higher doping level of diamond films was observed by means of Laser Induced Breakdown...
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Hyaluronan-Chondroitin Sulfate Anomalous Crosslinking Due to Temperature Changes
PublikacjaGlycosaminoglycans are a wide class of biopolymers showing great lubricating properties due to their structure and high affinity to water. Two of them, hyaluronic acid and chondroitin sulfate, play an important role in articular cartilage lubrication. In this work, we present results of the all-atom molecular dynamics simulations of both molecules placed in water-based solution. To mimic changes of the physiological conditions,...
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Computational Study of Molecular Interactions in ZnCl2(urea)2 Crystals as Precursors for Deep Eutectic Solvents
PublikacjaDeep eutectic solvents (DESs) are now enjoying an increased scientific interest due to their interesting properties and growing range of possible applications. Computational methods are at the forefront of deciphering their structure and dynamics. Type IV DESs, composed of metal chloride and a hydrogen bond donor, are among the less studied systems when it comes to their understanding at a molecular level. An important example...
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Storage of High-Strength Steel Flux-Cored Welding Wires in Urbanized Areas
PublikacjaThe condition of the consumables is a key factor determining the waste reduction in the welding processes and the quality of the welded joint. The paper presents the results of tests of four types of fux-cored wires dedicated for welding high-strength steels, stored for 1 month and 6 months in Poland in two urbanized areas: in a large seaside city (Gdańsk) and in Warsaw, located in the center of the country. The wires were subjected...
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Hydrophobic deep eutectic solvents in microextraction techniques–A review
PublikacjaOver the past decade, deep eutectic solvents (DES) have been widely studied and applied in sample preparation techniques. Until recently, most of the synthesized DES were hydrophilic, which prevented their use in the extraction of aqueous samples. However, after 2015 studies on the synthesis and application of hydrophobic deep eutectic solvents (HDES) has rapidly expanded. Due to unique properties of HDES i.e. density, viscosity,...
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Experimental and predicted physicochemical properties of monopropanolamine-based deep eutectic solvents
PublikacjaIn this work, the novel deep eutectic solvents (DESs) based on 3-amino-1-propanol (AP) as hydrogen bond donor (HBD) and tetrabutylammonium bromide (TBAB) or tetrabutylammonium chloride (TBAC) or tetraethylammonium chloride (TEAC) as hydrogen bond acceptors (HBAs) were synthesized with different molar ratios of 1:4, 1:6 and 1:8 salt to AP. Fourier Transform Infrared Spectroscopy measurements were performed to provide an evidence...
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Influence of Annealing Atmospheres on Photoelectrochemical Activity of TiO2 Nanotubes Modified with AuCu Nanoparticles
PublikacjaIn this article, we studied the annealing process of AuCu layers deposited on TiO2 nanotubes (NTs) conducted in various atmospheres such as air, vacuum, argon, and hydrogen in order to obtain materials active in both visible and UV–vis ranges. The material fabrication route covers the electrochemical anodization of a Ti plate, followed by thin AuCu film magnetron sputtering and further thermal treatment. Scanning electron microscopy...
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A novel (Ti/Ce)UiO-X MOFs@TiO2 heterojunction for enhanced photocatalytic performance: Boosting via Ce4+/Ce3+ and Ti4+/Ti3+ redox mediators
PublikacjaTitanium-substituted cerium-oxo-based UiO MOFs with terephthalate linkers modified by various groups (–Br, –NH2, –NO2) or their derivatives (N-heterocyclic or biphenyl groups) were combined with titanium dioxide in a multistep route to obtain a core-shell-like architecture. DFT simulations showed that Ce- and bimetallic Ti/Ce- MOFs exhibited different charge compensation. Extended characterization revealed the formation of heterojunctions between...
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Microwave assisted liquefaction with crude glycerol as a potential method of brewer's spent grain utylization
PublikacjaBrewer's spent grain was applied as a low-cost industrial type of lignocellulose biomass in a liquefaction and solvent: biomass ratio on the efficiency of the process, chemical structure and basic properties of obtained prepared polyols and soil residues shed light on the biomass degradation mechanism through application of microwaves and further reaction of degradation products with solvent particles.
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A General Synthesis of Diaryl Cyclic Diamidines
PublikacjaA convenient and general method has been developed for directly converting bis-nitriles, e.g., I, to cyclic diamidines, e.g., II, using reagents derived from diaminoalkanes, e.g., H2NCH2CH2NH2, satd. with hydrogen sulfide. A 1:1 mixt. of a diaminoalkane and Et alc. (or without) was effective in most cases (72-88%). The synthetic utility of this methodol. in the prepn. of tetrakis(cyclic amidino)pyrenes III (R = H, Me) from 1,3,6,8-tetracyanopyrene...
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Electrical properties of Y0.08Sr0.92Ti0.92Nb0.08O3-δ after reduction in different reducing conditions
PublikacjaElectrical properties of perovskite Y0.08Sr0.92Ti0.92Nb0.08O3−ı after reduction in different conditions were studied. Relatively high electrical conductivity in samples reduced in ammonia was observed. The conductivity of Y0.08Sr0.92Ti0.92Nb0.08O3−ı reduced in ammonia at 1500 ◦C was of about 600 S/cm at 200 ◦C. Conductivity after reduction in ammonia at 1500 ◦C was stable both in hydrogen and oxygen atmosphere up to 600 ◦C. Reduction...
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Synthesis and Testing of BCZY/LNZ Mixed Proton–electron Conducting Composites for Fuel Cell Applications
PublikacjaA composite of BaCe0.6Zr0.2Y0.2O3–δ and Li2O:NiO:ZnO was investigated for fuel cell applications. The composite was successfully synthesized and its phase stability was confirmed at temperatures up to 900 °C. The influence of sintering and pressing aids on density was also investigated. Electrical properties were measured. DC electrical conductivity was about 8•10-4 S/m at 845 K. Open circuit voltage measurements in wet hydrogen...
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The properties of reduced Ge-Sb-O glasses for thermoelectric devices
PublikacjaThe structural and electrical properties of germanium-antimonate glasses after heat treatment in hydrogen have been determined. In the case of 50GeO2-50Sb2O3 glass reduced at 340°C even for less than 1 hour a continuous layer of antimony granules is formed and its electrical properties determine the surface conductivity of the reduced sample. The bulk electrical conductivity at 100°C of this sample was determined as 1000 Scm-1...
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Method of sacrificial anode transistor-driving in cathodic protection system
PublikacjaA magnesium anode driving system has been proposed. A PNP driving transistor has been used. Electrochemical testing in 3%NaCl, results and comparison of the driving system and classic direct anode to cathode connection are presented. The driving system reduced the protection current and stabilized the working conditions of the anode. Higher anode efficiency was achieved. Overprotection and hydrogen embrittlement threats were prevented...
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Factors causing degradation of sulfadimetoxine
PublikacjaSulfadimetoxine is a representative of sulfonamide drugs which presence inhibits growth of activated sludge bacteria, rhat is necessary for the effective mineralization of organic and inorganic contaminants. Therefore factors which con prevent this situation are searched. Aim of this study is selection of conditions causing efficien degradation of the drug- sulfadimetoxine. The impact of such aspects as : the type of oxidizing...
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Electron Scattering on X(CH3)4 Molecules: Applicability of Simple Additivity Rule and Role of Methylation
PublikacjaTo investigate influence of target methylation (substitution of a hydrogen atom by methyl group) on electron-collision processes we compare absolute total cross sections for XH4 and X(CH3)4 molecules, where X is Si and Ge, respectively. We also compare experimental TCSs energy dependencies with estimated data obtained using simple formula and TCSs for methyl group and those for SiH4 and GeH4. Electron-scattering TCSs for mentioned...
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Practical Method for the Preparation of 2,2-Dimethyl-5- {aryl[(hetero)aryl]methyl}-1,3-dioxane-4,6-diones: Synthesis and Mechanistic Study
PublikacjaAn efficient practical synthetic procedure has been developed for the synthesis of 2,2-dimethyl-5-{aryl[(hetero)aryl]methyl}- 1,3-dioxane-4,6-diones through Friedel–Crafts alkylation. The scope and limitation of the reaction of 2,2-dimethyl-5-arylidene-1,3-dioxane- 4,6-diones with π-excess aromatic systems have been delineated.
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Convenient and Efficient Synthesis of Functionalized 2-Sulfenylindoles
PublikacjaA simple, efficient, and practical sulfenylation at the C2 position of N-tosylindoles under mild conditions was developed. The designed transformation is based on the reaction of N-tosylindoles with BuLi and S-alkyl, and S-aryl phosphorodithioates or thiotosylates to produce 2-sulfenylindoles in moderate to high yields. The presence of additional hydroxy, carboxy, or amino functionalities did not disturb the formation of products
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Application of Impedance Spectroscopy for Bi1−xNdxFeO3 Ceramics Characterization
PublikacjaIn the present paper the synthesis conditions for fabrication of Bi1−xNdxFeO3 ceramics are reported. The single phase polycrystalline samples of Bi1−xNdxFeO3 were prepared by standard solid state reaction method from the mixture of oxides viz.: Bi2O3, Fe2O3 and Nd2O3. The samples were characterized by impedance spectroscopy in the frequency range 10Hz – 1MHz at room temperature.
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Convenient and efficient synthesis of functionalized unsymmetrical Z-alkenyl disulfanes
PublikacjaWe developed a simple and efficient method for the synthesis of functionalized unsymmetrical Z-alkenyl disulfanes under mild conditions in moderate to good yields. The designed method is based on the reaction of Z-alkenyl thiotosylates with thiols in the presence of base. The developed method allows the preparation of unsymmetrical Z-alkenyl disulfanes bearing additional hydroxy, carboxy, or amino functionalities.
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Influence of vacuum sublimation deposited metal layer thickness on metrological parameters of the amperometric gas sensor with Nafion membrane
PublikacjaThe paper presents the results of investigation on an influence of vacuum sublimation deposited platinum layer thickness on the signal, sensitivity and response time of a prototype of sulphur dioxide sensor with Nafion membrane. The working electrode was made by vacuum sublimation deposition of platinum on a surface of Nafion membrane. Pt layers deposited changed an initial structure of Nafion membrane and that phenomenon was utilized...
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The decay of quantum correlations between quantum dot spin qubits and the characteristics of its magnetic-field dependence
PublikacjaWe address the question of the role of quantum correlations beyond entanglement in the context of quantum magnetometry. We study the evolution of the rescaled variant of the geometric quantum discord of two electron-spin qubits interacting with an environment of nuclear spins via the hyperfine interaction. We have found that quantum correlations display a strong magnetic-field sensitivity which can be utilized for decoherence-driven...
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Beam on elastic foundation with anticlastic curvature: Application to analysis of mode I fracture tests
PublikacjaA first order correction is proposed taking into account both interface elasticity and transverse anticlastic curvature of flexible substrate(s) in the DCB (and related tests). Adherends are represented by Kirchhoff-Love plates, and the interface by Winkler-type elastic foundation. Two functions are introduced, representing evolution of beam deflection along the sample midline and anticlastic curvature along the plate. A method...
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Weak Stability of Centred Quadratic Stochastic Operators
PublikacjaWe consider the weak convergence of iterates of so-called centred quadratic stochastic operators. These iterations allow us to study the discrete time evolution of probability distributions of vector-valued traits in populations of inbreeding or hermaphroditic species, whenever the offspring’s trait is equal to an additively perturbed arithmetic mean of the parents’ traits. It is shown that for the existence of a weak limit, it...
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Numerical simulation of hardening of concrete plate
PublikacjaThe paper presents a theoretical formulation of concrete curing in order to predict temperature evolution and strength development. The model of heat flow is based on a well-known Fourier equation. The numerical solution is implemented by means of the Finite Difference Method. In order to verify the model, the in situ temperature measurements at the top plate of a road bridge were carried out. A high agreement between numerical...
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Characterization of fracture process in polyolefin fibre-reinforced concrete using ultrasonic waves and digital image correlation
PublikacjaThis study explores the monitoring of the fracture process in concrete beams and aims to characterize the evolution of damage in polyolefin fibre-reinforced concrete beams by utilizing the integrated application of two measurement techniques, digital image correlation and ultrasonic testing. The interpretation of registered wave time histories data was provided by the calculation of the magnitude-phase-composite metrics. An efficient...
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How Does International Competitiveness Affect Economic Development? A Two-Phase Hypothesis
PublikacjaThis paper analyses the impact of international competitiveness on economic development, based on the World Economic Forum Global Competitiveness Index (GCI) and GDP/capita of 125 countries during the period 2007-2010. The results reveal two phases of the evolution of competitiveness. When GCI < 4.5 (on 1-7 scale), any improvement of a country’s competitiveness affects current development more than future development. When...
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Gender wage gap convergence and skills heterogeneity in Poland (2005-2014) - quantile regression analysis based on microdata from EUSILC.
PublikacjaIn this article we quantify the magnitude and evolution of gender wage differentials in Poland over the years 2005 – 2014 using microlevel data from EU-SILC database (Statistics on Income and Living Conditions). In the study gender wage gap is examined through quantile regression analysis. It is shown that the gender wage gap varies along the wage distribution with workers’ skills heterogeneity playing a role. Additionally, the...
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Early Stages of RNA-Mediated Conversion of Human Prions
PublikacjaPrion diseases are characterized by the conversion of prion proteins from a PrPC fold into a disease-causing PrPSC form that is self-replicating. A possible agent to trigger this conversion is polyadenosine RNA, but both mechanism and pathways of the conversion are poorly understood. Using coarse-grained molecular dynamic simulations we study the time evolution of PrPC over 600 μs. We find that both the D178N mutation and interacting...
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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublikacjaBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublikacjaTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Plasticity of Bead-On-Plate Welds Made with the Use of Stored Flux-Cored Wires for Offshore Applications
PublikacjaExtreme atmospheric conditions in the marine and offshore industry are harmful to engineering materials, especially to welded joints, and may cause degradation of their properties. This article presents the results of research on the plasticity of bead-on-plate welds made using two types of seamless, copper plated flux-cored wires. Before welding, spools with wire were stored for 1 month in two distinct locations with different...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublikacjaDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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An investigation on the role of GMA grafting degree on the efficiency of PET/PP-g-GMA reactive blending: morphology and mechanical properties
PublikacjaGlycidyl methacrylate (GMA) has been grafted on polypropylene (PP) with the aid of styrene (St) comonomer, by changing dicumyl peroxide initiator content, GMA level, and St concentration. The performance of the resulting PP-g-GMA reactive material towards static and dynamic mechanical properties of poly (ethylene terephthalate) (PET) was monitored in terms of grafting reaction variables and compatibilizer content. Fourier transform...
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Proton Conducting Ceramic Powder Synthesis by a Low Temperature Method
PublikacjaMolten salt synthesis (MSS) is a simple method for the preparation of ceramic powders with specific morphology. The main role of the molten salts is to increase the reaction rate and lower the reaction temperature. It occurs because of much higher mobility of reactants in the liquid medium than in the solid state. In this work the molten salt synthesis was applied to produce ceramic powders of La0995Ca0005NbO4 and BaCe09−xZrxY01O3....
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Aggregation of imidazoacridinones - spectroscopic and microcalorimetric approach
PublikacjaImidazoacridinones (IA) belong to a group of polycyclic heteroaromatic antitumor compounds. IA create the aggregated form in water solution. Self-association of substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules....
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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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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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The ILs-assisted electrochemical synthesis of TiO2 nanotubes: The effect of ionic liquids on morphology and photoactivity
PublikacjaFacile and environmentally benign one-step titanium anodization method for TiO2 nanotubes (NTs) formation in a presence of ionic liquids (ILs) was proposed. Influence of the IL structure and its content in ethylene glycol electrolyte on morphology, surface properties and photoactivity of the TiO2 NTs was investigated. Possible interactions between IL and TiO2 NTs as well as the mechanism of NTs formation during anodic oxidation...
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The Ellenbogen's “Matter as Software” Concept for Quantum Computer Implementation. C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublikacjaThe TBN bottom-up strategy of building quantum devices from C60 and X@C60 MBBs is proposed as an extension of the Ellenbogen's “Matter as Software” idea to quantum information processing. The capped SW or DW CNT STM tip is considered as device for manipulating C60 and X@C60 molecules. In this article, the possibility of using easily available on the market C60 Fullerene and endohedral X@C60 molecules together with commercial CNT...
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Thermally activated natural chalcopyrite for Fenton-like degradation of Rhodamine B: Catalyst characterization, performance evaluation, and catalytic mechanism
PublikacjaIn this work, catalytic activity of natural chalcopyrite (CuFeS2) was improved by thermal activation. The modified chalcopyrite was used as efficient catalyst for degradation of organic dye Rhodamine B (RhB) through advanced oxidation process (AOP). Effects of catalyst dosage, H2O2 concentration, reaction temperature, solution pH, anions, and natural organic matter on the degradation efficiency of RhB were investigated. This study...
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Bio‑derived polyurethanes obtained by non‑isocyanate route using polyol‑based bis(cyclic carbonate)s—studies on thermal decomposition behavior
PublikacjaNon-isocyanate polyurethanes (NIPUs) constitute one of the most prospective groups of eco-friendly materials based on their phosgene-free synthesis pathway. Moreover, one of the steps of their obtaining includes the use of carbon dioxide (CO 2 ), which allows for the promotion of the development of carbon dioxide capture and storage technologies. In this work, non- isocyanate polyurethanes were obtained via three-step synthesis...
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Convenient and efficient synthesis of functionalized unsymmetrical alkynyl sulfides
PublikacjaWe developed a simple and efficient method for the synthesis of functionalized unsymmetrical alkynyl sulfides under mild conditions in good yields. The designed method is based on the reaction of 5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-disulfanyl derivatives with lithium acetylides. The developed method allows the preparation of unsymmetrical alkynyl sulfides bearing additional hydroxyl, carboxyl, or amino functionalities.
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The nonlinear effects of sound in a liquid with relaxation losses
PublikacjaThe nonlinear effects of sound in electrolyte with a chemical reaction are examined. The dynamic equations that govern non-wave modes in the field of intense sound are derived, and acoustic forces of vortex, entropy, and relaxation modes are determined in the cases of low-frequency sound and high-frequency sound. The difference in the nonlinear effects of sound in electrolyte and in a gas with excited vibrational degrees of molecules,...