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Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations
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Structure of high-resolution Kβ1,3 x-ray emission spectra for the elements from Ca to Ge
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The interplay between dopant and a surface structure of the photocatalyst – The case study of Nb-doped faceted TiO2
PublikacjaAnatase nanoparticles, exposing the majority of the {0 0 1}, {1 0 0} and {1 0 1} facets were synthesized and doped with different niobium amount to investigate the self-trapping of the excess electrons and resulting photocatalytic activity. Photocatalyst structure and presence of excess electrons inside the obtained Nb-doped anatase samples was confirmed by the combination of structural and spectroscopic analyses. Only for the...
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Disruptive effect of tocopherol oxalate on DPPC liposome structure: DSC, SAXS, and fluorescence anisotropy studies
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Justifying the prolongation of the service life of the bearing structure of a tank car when using Y25 bogies
PublikacjaThis paper substantiates the use of Y25 bogies under tank cars in order to prolong their service life. The reported study has been carried out for a tank car with rated parameters, as well as the actual ones, registered during full-scale research. Mathematical modeling was performed to determine the basic indicators of the tank car dynamics. The differential equations of motion were solved by a Runge-Kutta method using the Mathcad...
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
PublikacjaThe increasing interest in polyurethane materials has raised the question of the environmental impact of these materials. For this reason, the scientists aim to find an extremely difficult balance between new material technologies and sustainable development. This work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties...
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FEM simulations applied to the failure analysis of RC structure under the influence of municipal sewage pressure
PublikacjaThe paper discusses a failure mechanism of reinforced concrete (RC) structure with steel cover that failed under the influence of municipal sewage pressure. To explain the reasons of failure, in-situ measurements, laboratory experiments and comprehensive Finite Element Method (FEM) computations were performed. Non-destructive in-situ scanning tests were carried out to determine quantity and cover thickness of embedded reinforcement...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublikacjaMy PhD dissertation focused on DNA-protein interactions and the recognition of specific DNA sequences and structures. I discovered that acidic amino acid residues (Asp/Glu) play a crucial role by exhibiting a preference for cytosine. Their contribution to binding affinity depends on nearby cytosines, balancing electrostatic repulsion with specific interactions. Acidic residues act as negative selectors, discouraging non-cytosine...
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Programowanie dynamiczne w rozwiązywaniu problemów szeregowania zadań w systemach o acyklicznej strukturze
PublikacjaRozważono rozrzedzone systemy niepodzielnych zadań dwuprocesorowych o jednostkowych długościach operacji oraz systemy maszyn dedykowanych (open shop,flow shop, mixed shop) o operacjach zero-jedynkowych. Przedstawiono rodzinę wielomianowych algorytmów opartych na programowaniu dynamicznym, pozwalających na znalezienie optymalnego uszeregowania względem szerokiej rodziny funkcji kryterialnych. Stopień rozrzedzenia systemu zdefiniowano...
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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublikacjaMetodą rentgenowskiej analizy strukturalnej wyznaczono struktury krystaliczne i cząsteczkowe trzech soli amoniowych: (t-BuO)3SiS(-)H3N(+)Bu-t, (i-PrO)3SiS(-)H3N(+)Bu-t i (t-BuO)3SiS(-)H3N(+)(CH2)2CH(CH3)2. Wszystkie trzy związki w ciele stałym tworzą tetramery w których atomy S i N wyznaczają w przybliżeniu naroża sześcianu. Trwałość tych agregatów, oprócz sił elektrostatycznego przyciągania, zapewnia sieć wiązań wodorowych N-H
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An algorithm for preliminary estimating hull structure mass and mass centre height of inland navigation ships
PublikacjaPrzedstawiono algorytm obliczeniowy służący do wstępnego wyznaczania masy i wysokości środka ciężkości konstrukcji kadłuba statków śródlądowych. Algorytm opracowano opierając się na zaleceniach zawartych w Przepisach Klasyfikacji i Budowy Statków Śródlądowych PRS oraz zastosowano uproszczoną metodę wyznaczania mas usztywnień poszycia kadłuba. Algorytm dotyczy wymiarowania konstrukcji klasycznych statków służących do przewozu drobnicy,...
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RNS reverse high-speed converter with quasi-regular structure based on the Chinese Remainder Theorem
PublikacjaPrzedstawiono dwie nowe architektury szybkiego konwertera z systemuresztowego do systemu binarnego oparte o chińskie tw. o resztach. Zastosowano nowe struktury 4-operandowych sumatorów modulo 2M. Pierwsza ze struktur oparta jest o wstępne sumowanie najstarszych bitów wektorów sumy i przeniesienia na wyjściu sumatora CSA, natomiast druga o bezpośrednie wykrywanie przekroczenia 2M. Konwerter wykorzystujący drugą ze struktur charakteryzuje...
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Why set of experience knowledge structure can be considered a knowledge representattion for formal decision events?
PublikacjaOmówiono zasady reprezentacji wiedzy przy pomocy zbioru dośwadczeń. Uzasadniono wybór takiej reprezentacji na tle badańliteraturowych.
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Structure of partially reduced xPbO (1-x)SiO2 glasses: combined EXAFS and MD study
PublikacjaWykorzystując połączenie metody EXAFS (extended X-ray absorption finestructure) i symulacji MD (molecular dynamics) zbadano strukturęczęściowo zredukowanych szkieł ołowiowo-krzemianowych o różnejstechiometrii wyjściowej. W wyniku analizy uzyskano szczegółowyopis struktury lokalnej wokół atomów ołowiu i jej zmiany w funkcjiskładu szkła i poziomu redukcji. Określono również jaką tendencjędo aglomeracji w metaliczne klastry wykazują...
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Syntheses and crystal structures of lithium derivatives of diphosphanes R2P-P(SiMe3)Li·3L, R = Ph, iPr and iPr2N, L = THF or DME
PublikacjaW wyniku reakcji R2P-P(SiMe3)2 z BuLi w THF lub DME powstają pochodne litowe difosfanów R2P-P(SiMe3)Li·3L. Dla R = iPr oraz iPr2N powstają sole R2P-P(SiMe3)Li·3THF, w których atom litu jest czterokrotnie koordynowany a dla R = Ph powstaje sól [Li·3DME]+[Ph2P-PSiMe3]-, która posiada budowę jonową. W reakcji BuLi z Ph2P-P(SiMe3)2 powstają znaczne ilości produktów ubocznych: Ph2P-PPh2 i LiP(SiMe3)2.
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A method of two-terminal excess noise measurement with a reduction of measurement system and contact noise
PublikacjaPrzedstawiono metodę i system do pomiaru szumów nadmiarowych dwójników elektrycznych ze znaczną redukcją wpływu szumów własnych systemu pomiarowego i szumów kontaków. Proponowana metoda może byc zastosowana do pomiaru szumów elementów z wyprowadzonymi końcówkami, bądź też struktur, gdy jako wzorcowy szum odniesienia może zostać zastosowany szum struktury rezystywnej wytworzonej bezpośrednio na strukturze w otoczeniu elementu testowanego.
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Konfrontowanie reprezentatywnych struktur spektralnych odpowiedzi impulsowej kanału głosowego [Confronting representative spectral structures of vocal tract pulse responses]
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Żuławskie domy podcieniowe. Przyczyny degradacji i problematyka konserwatorska zabytkowych struktur architektonicznych w środowisku kulturowym Delty Wisły
Publikacja.
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Rola konsultacji społecznych w procesie tworzenia planów zagospodarowania przestrzennego i rewitalizacji struktur miejskich na przykładzie Wiednia
PublikacjaW artykule omówiono politykę przestrzenną i społeczną Wiednia, porównano zaawansowanie demokratyzacji procesu planowania przestrzennego w Austrii i w Polsce, przedstawiono projekty i realizacje wiedeńskie.
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublikacjaThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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Sulfonamides with hydroxyphenyl moiety: Synthesis, structure, physicochemical properties, and ability to form complexes with Rh(III) ion
PublikacjaSulfonamides are the first successfully synthesized antimicrobial drugs. The mechanism of sulfonamides’ antimicrobial action involves competitive inhibition of folic acid synthesis and prevention of the growth and reproduction of bacteria. Even though they have been applied in therapy for more than 75 years, sulfonamides are still the drugs of choice for the treatment of various diseases. The aim of this work was to synthesize...
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Inverse Analysis as a Key Element of Safety Assessment under the Snow Load For The Large Suspension Roofs Structure
PublikacjaThe paper presents a concept and realization of monitoring system for the Silesian Stadium in Chorzow. The idea of the system lies in fusion of structure monitoring with a calibrated numerical FEM model [1]. The inverse problem is solved. On the base of measured selected displacements, the numerical FEM model of the structure combined with iterative method, develops the current snow load distribution. Knowing the load, we can calculate...
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Crystal Structure, Hydration, and Two-Fold/Single-Fold Diffusion Kinetics in Proton-Conducting Ba0.9La0.1Zr0.25Sn0.25In0.5O3−a Oxide
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<title>Structure and state visualization system for BAC detector electronics in ZEUS experiment of HERA accelerator</title>
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The effect of a polyharmonic structure of the perturbation signal on the results of harmonic analysis of the current of a first-order electrode reaction
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Three-dimensional structure of wave-induced momentum flux in irrotational waves in combined shoaling-refraction conditions
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Photocatalytic degradation and pollutant-oriented structure-activity analysis of carbamazepine, ibuprofen and acetaminophen over faceted TiO2
PublikacjaPhotocatalytic degradation of carbamazepine, ibuprofen, acetaminophen and phenol was studied in the presence of anatase photocatalyst, exposing three different crystal facets in the majority of {0 0 1}, {1 0 0} or {1 0 1}. It was found that octahedral anatase particles exposing {1 0 1} facets allow to achieve the best degradation and mineralization of all persistent organic pollutants. This confirms that the previous findings,...
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<title>Fiber-optic low-coherence tomography system for visualization of internal structure of ceramic materials</title>
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Effect of Electron Beam Power Density on the Structure of Titanium Under Non-Vacuum Electron-Beam Treatment
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The analysis of the influence of the corrosion protection method of selected steel elements on the steel structure life cycle costs
PublikacjaSteel products are widely used in the construction for the performance of essential and additional elements of engineering structures. They are characterized by high tensile strength, compression and bending, the structure homogeneity, the possibility of assembly regardless of the season and climatic conditions, ease of processing and the possibility of almost any shape. The main disadvantage of steel structures is their high susceptibility...
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Zmiany w strukturze przestrzennej systemów przewietrzania miast na przykładzie Warszawy, Gdańska i Poznania
PublikacjaJednym z czynników wpływających na jakość życia w mieście jest jakość powietrza. Wiele wyników badań wskazuje, że niektóre rozwiązania planistyczne i projektowe mogą wpływać na poprawę przepływu powietrza i obniżenie poziomu zanieczyszczeń w miejskich strukturach zbudowanych. Jak dowodzą raporty ekspertów ze Światowej Organizacji Zdrowia, ponad trzydzieści spośród pięćdziesięciu miast w Unii Europejskiej o najwyższych wskaźnikach...
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Structure and evolution of the 4-helix bundle domain of Zuotin, a J-domain protein co-chaperone of Hsp70
PublikacjaThe J-domain protein Zuotin is a multi-domain eukaryotic Hsp70 co-chaperone. Though it is primarily ribosome-associated, positioned at the exit of the 60S subunit tunnel where it promotes folding of nascent polypeptide chains, Zuotin also has off-ribosome functions. Domains of Zuotin needed for 60S association and interaction with Hsp70 are conserved in eukaryotes. However, whether the 4-helix bundle (4HB) domain is conserved remains...
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The effect of nitrogen on the structure and thermal properties of beryllium-containing Na-(Li)-Si-O-N glasses
PublikacjaTwo oxynitride glass series with the composition of 35Na2O-5BeO-(60-x)SiO2-xSi3N4 and 9Li2O- 27Na2O-5BeO-(59-x)SiO2-xSi3N4, were prepared. The glasses' topography and structure were studied by Scanning Electron Microscopy and Raman spectroscopy. The composition was analyzed by Inductively Coupled Plasma Optical Emission Spectrometer, SEM-EDS and nitrogen and oxygen elemental analyzer. Na-(Li)-Be-silicate glasses were found to contain...
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From structure to luminescence investigation of oxyfluoride transparent glasses and glass-ceramics doped with Eu3+/Dy3+ ions
PublikacjaGlasses and glass-ceramics with nominal composition 73 TeO2– 4BaO– 3Bi2O3–18SrF2-2RE2O3 (where RE = Eu, Dy) have been synthesized by conventional melt-quenching technique and subsequent heat treatment at 370 °C for 24 h in air atmosphere. Various Eu3+ to Dy3+ molar ratio have been applied to investigate luminescence properties in both glass and glass-ceramic matrices. Especially, white light emission through simultaneous excitation...
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STRUCTURE AND MAGNETIC PROPERTIES OF Bi5Ti3FeO15 CERAMICS PREPARED BY SINTERING, MECHANICAL ACTIVATION AND EDAMM PROCESS. A COMPARATIVE STUDY
PublikacjaThree different methods were used to obtain Bi5Ti3FeO15 ceramics, i.e. solid-state sintering, mechanical activation (MA) with subsequent thermal treatment, and electrical discharge assisted mechanical milling (EDAMM). The structure and magnetic properties of produced Bi5Ti3FeO15 samples were characterized using X-ray diffraction and Mössbauer spectroscopy. The purest Bi5Ti3FeO15 ceramics was obtained by standard solid-state sintering...
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Impact of the anion and chalcogen on the crystal structure and properties of 4,6-dimethyl-2-pyrimido(thio)nium halides
PublikacjaBy the reaction of urea or thiourea, acetylacetone and hydrogen halide (HF, HBr or HI), we have obtained seven new 4,6-dimethyl-2-pyrimido(thio)nium salts, which were characterized by single-crystal X-ray diffraction, namely, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bifluoride, C₆H₉N₂O⁺·HF₂⁻ or (dmpH)F₂H, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium bromide, C₆H₉N₂O⁺·Br⁻ or (dmpH)Br, 4,6-dimethyl-2-oxo-2,3-dihydropyrimidin-1-ium...
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From Structure to Luminescent Properties of B2O3-Bi2O3-SrF2 Glass and Glass-Ceramics Doped with Eu3+ Ions
PublikacjaGlass-ceramics with the composition B2O3 -Bi2O3 -SrF2 were synthesized by the conventional melt-quenching technique and subsequent crystallization of the parental glasses. The temperature at which the ceramization was carried out was selected based on differential scanning calorimetry (DSC) analysis. The structure of the studied materials and the formation of SrF2 nanocrystals were confirmed by the Fourier-transform infrared spectroscopy...
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Synthesis, physicochemical and theoretical studies on new rhodium and ruthenium dimers. Relationship between structure and cytotoxic activity
PublikacjaTwo dimeric compounds of the general formulae (Et3NH)2[Rh2(μ2-L)4Cl2] (1) (where L = thiophene-2-carboxylate) and [((η6-p-cymene)Ru)2(μ-Cl)3]PF6 (2) have been synthesized using a new method. The unique anionic complex 1 (space group P bca) has octahedral coordination in which the equatorial positions are occupied by the oxygen atoms of four thiophene-2-carboxylates in a paddle wheel fashion. In complex 2 (space group ), each Ru(II)...
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Novel bio-based thermoplastic poly(ether-urethane)s. Correlations between the structure, processing and properties
PublikacjaThe main purpose of this work was to analyze the effect of the number of unreacted isocyanate groups and the [NCO]/[OH] molar ratio during the chain extension of a prepolymer during the polymerization process on the structure, processing and selected properties of thermoplastic poly(ether-urethane)s. Three series of novel thermoplastic polyurethanes were obtained via a prepolymer route. Three prepolymers were synthesized from diisocyanate...
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Structure and water uptake in BaLnCo2O6−δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy)
PublikacjaThe structure of BaLnCo2O6-δ (Ln =La, Pr, Nd, Sm, Gd, Tb and Dy) was studied by the means of synchrotron radiation powder X-ray diffraction, neutron powder diffraction and Transmission Electron Microscopy (TEM), while water uptake properties were analysed with the use of thermogravimetry (TG) and water adsorption isotherms. The structure refinement revealed that the dominant phase in all compositions was orthorhombic with an ordering...
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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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Dimeric structure of the N-terminal domain of PriB protein from Thermoanaerobacter tengcongensis solved ab initio
PublikacjaPriB is one of the components of the bacterial primosome, which catalyzes the reactivation of stalled replication forks at sites of DNA damage. The N-terminal domain of the PriB protein from the thermophilic bacterium Thermoanaerobacter tengcongensis (TtePriB) was expressed and its crystal structure was solved at the atomic resolution of 1.09 Å by direct methods. The protein chain, which encompasses the first 104 residues of the...
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Theoretical Design of the Molecular Structure of Bent-Core Mesogens with Large Second-Order Nonlinear Optical Properties
PublikacjaABSTRACT: The first hyperpolarizability of two series of moleculeswith bent-shaped structures has been calculated at the ab initio level.The two series consist of carboxyl derivatives for which somemolecules are known to exhibit banana phases and of their sulfinatehomologues that have not been synthesized yet. The final purpose isto reveal the relevance or not in synthesizing these latter molecules.The strategy is based on reporting...
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Isolation and structure elucidation of phenolic compounds from Cyclopiasubternata Vogel (honeybush) intact plant and in vitro cultures
PublikacjaZ materiału roślinnego i hodowli tkankowych Cyclopia subternata Vogel (miodokrzew) wyizolowano i zidentyfikowano matodami NMR i MS 10 związków. m.in. z grupy flawonów i glikozydów izoflawonów. 6 z nich po raz pierwszy wykryto w tym gatunku roślin.
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Negative Poisson’s ratio from pentagons: A new auxetic structure combining three different auxetic mechanisms
PublikacjaA novel class of two-dimensional auxetic structures based on the pentagon motif is proposed. Their mechanical properties are investigated by combining molecular mechanics simulations with a simple three-parameter mechanical model which assumes perfectly elastic behavior. It is predicted that the proposed structures – termed as double re-entrant honeycomb – may possess unique mechanical characteristics, which include complete and...
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Problems of modelling toxic compounds emitted by a marine internal combustion engine for the evaluation of its structure parameters
PublikacjaThe paper presents the possibility of using an analytical study of the engine exhaust ignition to evaluate the technical condition of the selected components. Software tools available for the analysis of experimental data commonly use multiple regression model that allows the study of the effects and iterations between model input quantities and one output variable. The use of multi-equation models gives a lot of freedom in the...
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The influence of crude glycerol and castor oil-based polyol on the structure and performance of rigid polyurethane-polyisocyanurate foams
PublikacjaIn this work, biopolyol obtained from two types of industrial crops’ processing products: crude glycerol and castor oil was used for preparation or rigid polyurethane-polyisocyanurate foams. Bio-based polyol was obtained via crude glycerol polymerization and further condensation of resulting polyglycerol with castor oil. Rigid polyurethane-polyisocyanurate foams were prepared at partial substitution (0–70 wt.%) of petrochemical...
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Visible light photocatalytic activity of ionic liquid-TiO2 spheres: effect of the ionic liquid's anion structure
PublikacjaThe effect of the ionic liquid’s (IL) anion type ([BIMIM][X], where X= [Br], [PF6] or [OctSO4]) and content on the morphology, surface properties and photoactivity of TiO2 obtained by solvothermal method has been systematically investigated. Our results revealed that the presence of [Br], [OctSO4] anions favors formation of anatase phase, while presence of [PF6] anion causes formation of mixture of anatase and Ti(OH)PO4 phases....
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Structure and thermoelectric properties of Cs-Bi-Te alloys fabricated by different routes of reduction of oxide reagents
PublikacjaCesium-bismuth-telluride polycrystalline materials were fabricated using a cost-effective method based on a reduction of oxide reagents, leading to a production of a material with good thermoelectric properties. Several samples with various initial stoichiometry were prepared by melting of oxide powders at 1050 °C, quenching, milling to powders and then reducing in pure hydrogen at 400 °C. Another concept was to obtain the CsBi4Te6...
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A structure and design optimization of novel compact microscrip dual-band rat-race coupler with enhanced bandwidth
PublikacjaIn the letter, a topology of a novel compact wideband dual-band rat-race coupler has been presented along with its computationally efficient design optimization procedure. Reduction of the circuit size has been achieved by meandering transmission lines of the conventional circuit. At the same time, the number of independent geometry parameters has been increased so as to secure sufficient flexibility of the circuit, necessary in...