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Search results for: STRUKTURY HIERARCHICZNE
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Preparation, Structure and Catalytic Activity of Pt–Pd Bimetallic Nanoparticles on Multi-Walled Carbon Nanotubes
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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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Cubane Like Structure of a Silanethiol Primary Amine Assembly a Novel, Unusual Hydrogen Bond Pattern.
PublicationMetodą 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
PublicationPrzedstawiono 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
PublicationPrzedstawiono 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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Theoretical study of the structure, energetics and vibrational frequencies of water-acetone and water-2-butanone complexes
PublicationKompleksy acetonu i 2-butanonu z 0-2 cząsteczkami wody połączonymi wiązaniem wodorowym z tlenem karbonylowym zbadano z wykorzystaniem teorii funkcjonału gęstości (DFT) na poziomie B3LYP/6-311++G(d,p). Obliczenia w fazie gazowej uzupełniono o optymalizacje w otoczeniu rozpuszczalnika, symulowanego za pomocą modelu polaryzowalnego kontinuum (PCM). Częstości drgań oscylacyjnych otrzymane na podstawie zależności empirycznej sa zgodne...
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Crystal and molecular structure of bis(O,O'-diethyldithiophosphato-S,S')nickel(II): A redetermination
PublicationDoniesienie przedstawia ponownie wyznaczoną strukturę tytułowego, centrosymetrycznego kompleksu, [Ni{S2P(OC2H5)2}2]. Centralny rdzeń (S2P)2 jest płaski, co potwierdza wcześniejsze wyniki uzyskane przez McConnell'a i Kastalsky'ego, przy czym odchylenia standardowe są około siedmiokrotnie mniejsze oraz wyznaczono wszystkie pozycje atomów wodoru. W strukturze krystalicznej zaobserwowano róznież parę krótkich kontaktów HH (2.33 Å).
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Revised structure of the repeating unit of the O-specific polysaccharide from Azospirillum lipoferum strain SpBr17
PublicationO-polisacharyd otrzymany poprzez delikatną kwasową hydrolizę lipopolisacharydu wyizolowanego z Azospirillum lipoferum SpBr17 był badany metodami spektroskopii NMR jak również metodą analizy metylacyjnej połączonej z elektroforezą SDS-PAGE. Stwierdzono, że nie jest on liniowym homopolimerem złożonym wyłącznie z (1->3) [alfa]-glikozydowo połączonych cząsteczek L-ramnopiranozy (jak proponowano wcześniej) lecz sekwencją kolejnych bloków...
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UNRES server for physics-based coarse-grained simulations and prediction of protein structure, dynamics and thermodynamics
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Structure and thermoelectric properties of Bi–Te alloys obtained by novel method of oxide substrates reduction
PublicationA novel method of thermoelectric materials fabrication has been developed. Oxide reagents have been melted at high temperature in air, quenched, milled to powder and reduced in hydrogen to form Bi–Te alloys. Structural and thermoelectric properties of samples have been investigated depending on initial composition and temperature of reduction process. Sample 25Bi2O3–75TeO2 reduced at 340 °C for 10 h has been found to be a p-type...
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Chemical structure, thermal and mechanical characterization of bio-based polyurethane composites filled with microcrystalline cellulose
PublicationOver the past several decades, the interest in replacing the synthetic components used in the production of polymers and composites with their natural counteparts has been growing. Biocomposites belong to the group of materials produced with the use of renewable raw materials. There has been a recent surge of interest in the industrial applications of composites containing natural fibres reinforced with biopolymers. Biopolymers...
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Structure-property relationships disclosed in the family of acridinium esters – chemiluminogenic molecules of great practical importance
PublicationAcridinium esters (AE), since their introduction to the analytics 30 years ago, make one of the most important groups of chemiluminogenic (CL) systems, that have been employed in medical diagnostics and environmental analysis today. So far, however, no systematic studies on the structureproperty relationships were carried out in this family of compounds. The latter features likely determine their practical utility and facilitate...
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Niederschalgswasser-Management in Polen. Aufgaben und organisatorische Strukturen am Beispiel der Stadt Danzig
PublicationDie wirksame Trennung der Abwasserströme sowie die extrem komplexen räumlichen Bedingungen sind das Hauptproblem der Niederschlagswasserbewirtschaftung in Danzig. In der Stadt gibt es sowohl Berg- als auch Tieflagen. Die bestehende Situation führte zu der Notwendigkeit, eine eigene kommunale Betriebsorganisation zu gründen, die sich um alle Bestandteile der Niederschlagswasserinfrastruktur (Kanäle im Innen- und Außenbereich, Bäche,...
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Synthesis, Molecular Structure, Metabolic Stability and QSAR Studies of a Novel Series of Anticancer N-Acylbenzenesulfonamides
PublicationA series of novel N-acyl-4-chloro-5-methyl-2-(R1-methylthio)benzenesulfonamides 18–47 have been synthesized by the reaction of N-[4-chloro-5-methyl-2-(R1-methylthio) benzenesulfonyl]cyanamide potassium salts with appropriate carboxylic acids. Some of them showed anticancer activity toward the human cancer cell lines MCF-7, HCT-116 and HeLa, with the growth percentages (GPs) in the range from 7% to 46%. Quantitative structure-activity relationship...
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Justifying the prolongation of the service life of the bearing structure of a tank car when using Y25 bogies
PublicationThis 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
PublicationThe 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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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublicationMy 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
PublicationRozważono 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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The interplay between dopant and a surface structure of the photocatalyst – The case study of Nb-doped faceted TiO2
PublicationAnatase 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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Analysis of the structure of the atomized fuel spray with marine diesel engine injector in the early stage of injection
PublicationThis paper presents the results of the experimental research of the atomized fuel spray with the marine diesel engine injector in the constant volume chamber. The specificity of the phenomena occurring in the marine engine cylinder was the reason to use the optical visualisation method in the studies – the Mie scattering technique. This work presents an analysis of the influence of different geometry of outlet orifice and opening...
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Structure-Property Relationship and Multiple Processing Studies of Novel Bio-Based Thermoplastic Polyurethane Elastomers
PublicationCurrently, the growing demand for polymeric materials has led to an increased need to develop effective recycling methods. This study focuses on the multiple processing of bio-based thermoplastic polyurethane elastomers (bio-TPUs) as a sustainable approach for polymeric waste management through mechanical recycling. The main objective is to investigate the influence of two reprocessing cycles on selected properties of bio-TPUs....
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Electronic structure of intertwined kagome, honeycomb, and triangular sublattices of the intermetallics MCo2Al9 ( M = Sr, Ba)
PublicationIntermetallics are an important playground to stabilize a large variety of physical phenomena, arising from their complex crystal structure. The ease of their chemical tunabilty makes them suitable platforms to realize targeted electronic properties starting from the symmetries hidden in their unit cell. Here, we investigate the family of the recently discovered intermetallics MCo2Al9 (M=Sr, Ba) and we unveil their electronic structure....
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Short review on the design and application of fractionl delay Hilbert transform filter using Farrow structure
PublicationThis paper is treated as a brief summary of our hitherto research on the design and utilization of the FDHTF, particularly in the sub-samole delay estimator.
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Assessment of operation of energy system of serial reliability structure on the example of ship main propulsion system
PublicationW artykule przedstawiono rozwinięcie znanej metody oceny działania systemu energetycznego, zastosowanej w odniesieniu do głównego układu napędowego statku. Według tej interpretacji działanie może być przedstawiane jako wielkość fizyczna. W tym aspekcie, na podstawie wybranego podsystemów funkcjonalnego statku, oceniono jej przydatność do opisu własności niezawodnościowych tego systemu. W analizie zastosowano teorię procesów Poissona,...
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Behaviour of Colliding Multi-Storey Buildings under Earthquake Excitation Considering Soil-Structure Interaction
PublicationThis paper investigates the coupled effect of the supporting soil flexibility and pounding between neighbouring, insufficiently separated buildings under earthquake excitation. Two adjacent three-storey structures, modelled as inelastic lumped mass systems with different structural characteristics, have been considered in the study. The models have been excited using the time history of the Kobe earthquake of 1995. A nonlinear...
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Emplying set of experience knowledge structure and decisional DNA to enhance industrial design: conceptual approach
PublicationZaprezentowano koncepcje wspomagania projektowania przemyslowego przy pomocy nowoczenego podejscia do reprezentacji wiedzy w postaci SOEKS oraz Decyzyjnego DNA
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Enhancing set of experiance knowledge structure (SOEKS) with w nearest neighbour algorithm Relief-F
PublicationPrzedstawiono koncepcje uzupelnienia i wpsomagania struktury wiedzy opartej na SOEKS przy pomocy algorytmu przypisujacego wagi atrybutow.
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Disruptive effect of tocopherol oxalate on DPPC liposome structure: DSC, SAXS, and fluorescence anisotropy studies
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Municipal landfill leachate nitrification in RBC biofilm – Process efficiency and molecular analysis of microbial structure
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Operational Analysis of Fire Alarm Systems with a Focused, Dispersed and Mixed Structure in Critical Infrastructure Buildings
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Structure, thermal and mechanical properties of copoly(ester amide)s based on 2,5‐furandicarboxylic acid
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Structure and electrochemical reactivity of 3-[tris(2-methoxyethoxy)silyl]-propanethiol adsorbed on silver surface
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Irreversible alterations in the hemoglobin structure affect oxygen binding in human packed red blood cells
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The Effect of Fertilization on the Structure of the Aboveground Biomass of Several Cultivars of Jerusalem Artichoke (Helianthus tuberosus L.)
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
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Structure and superconductivity of VN-SiO2 films obtained by thermal nitridation of sol-gel derived coatings
PublicationPraca prezentuje wyniki badań strukturalnych oraz właściwości nadprzewodzących cienkich warstw xVN-(100-x)SiO2, gdzie x = 90, 80, 70, 60 mol%. Warstwy zostały wykonane metodą termicznego azotowania z użyciem amoniaku cienkich warstw tlenkowych otrzymanych metodą zol-żel. Badania struktury przeprowadzono metodami XRD oraz XPS, natomiast właściwości nadprzewodzące badano metodą MMMA. Właściwości nadprzewodzące warstw zależą zarówno...
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Cast aluminium matrix composites modified with using FSP process – Changing of the structure and mechanical properties
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Influence of the preparation method and aluminum ion substitution on the structure and electrical properties of lithium–iron ferrites
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Core/Shell Structure of Mesoporous Carbon Spheres and g-C3N4 for Acid Red 18 Decolorization
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Insight into the influence of polymer topological structure on the exfoliation of clay in polystyrene matrix via annealing process
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The effect of Sr and Mg substitutions on structure, mechanical properties and solubility of fluorapatite ceramics for biomedical applications
PublicationIonic substitutions play important role in the modifications of biological apatites. Recently, attention has been focused on the co-doping effects on the functional properties of apatite-based biomaterials. In this research work, the dense samples of fluorapatites, Ca10(PO4)6F2 and Ca8MgSr(PO4)6F2, were produced after sintering at 1250 °C for 6 h in air. Structural characterization carried out with XRD, IR, Raman and SEM, confirmed...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublicationIn this paper we report the improvements and extensions of the UNRES server (https://unres-server.chem.ug.edu.pl) for physics-based simulations with the coarse-grained UNRES model of polypeptide chains. The improvements include the replacement of the old code with the recently optimized one and adding the recent scale-consistent variant of the UNRES force field, which performs better in the modeling of proteins with the β and the...
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Elucidating the impact of enzymatic modifications on the structure, properties, and applications of cellulose, chitosan, starch and their derivatives: a review
PublicationPolysaccharides, as one of the most prominent natural biopolymers, display numerous biological activities and industrial applications. Nevertheless, some polysaccharides lack biological properties or display weak biological activities. Besides, practical usages of polysaccharides still remain challenging because of their poor solubility and inappropriate hydrophilic/hydrophobic balance. Hence, enzymatic or chemical modifications...
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Computer-Aided Greenery Design—Prototype Green Structure Improving Human Health in Urban Ecosystem
PublicationIncreasing population and urbanization, with climate change consequences, such as rising temperatures, influence public health and well-being. The search to improve the quality of life in cities becomes one of the priority objectives. A solution can be found in the role of greenery in an urban environment and its impact on human health. This opens a path toward experimentation on microclimate green structures that can be inserted...
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Synthesis, Structure and Properties of Poly(ester-Urethane-Urea)s Synthesized Using Biobased Diamine
PublicationModern polymer science and technology is focused on the development of partial or fully green polymers. This focus is related to green chemistry trends, which propose using natural and renewable resources as monomers in the synthesis of polymers. In this study, biobased diamine was used as a chain extender of ester-urethane prepolymer. Obtained poly(ester-urethane-urea) contains 16 wt% of biobased diamine. There is mention of an...
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Local Structure and Stability of SEI in Graphite and ZFO Electrodes Probed by As K-edge Absorption Spectroscopy
PublicationThe evolution of the solid electrolyte interphase (SEI) during the first Li uptake in advanced Li-ion electrodes is studied by X-ray absorption spectroscopy (XAS). The As atoms present in the electrolyte solution were used as a local probe for monitoring the SEI growth on different electrodes. High-quality As K-edge spectra were collected in fluorescence mode for a set of graphite and carbon-coated ZnFe2O4 electrodes. XAS measurements...
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew 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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Fe local structure in Pt-free nitrogen-modified carbon based electrocatalysts: XAFS study
PublicationThe paper presents a new results on the bonding environment (coordination number and geometry) and on oxidation states of Fe in nitrogen-modified Fe/C composites used as Pt-free catalysts for oxygen reduction in Direct Hydrogen Fuel Cells. Starting from glucose or fructose, two catalysts displaying different electrochemical performance were prepared and studied in the form of pristine powder and thin catalytic layer of electrode...
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Multi-objective optimization of the cavitation generation unit structure of an advanced rotational hydrodynamic cavitation reactor
PublicationHydrodynamic cavitation (HC) has been widely considered a promising technique for industrial-scale process intensifications. The effectiveness of HC is determined by the performance of hydrodynamic cavitation reactors (HCRs). The advanced rotational HCRs (ARHCRs) proposed recently have shown superior performance in various applications, while the research on the structural optimization is still absent. The present study, for the...