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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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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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Municipal landfill leachate nitrification in RBC biofilm – Process efficiency and molecular analysis of microbial structure
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublikacjaThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Assessment of technical condition and repair of steel structure elements on the example of fire damage in a warehouse building
PublikacjaThe paper analyses a case study on the structural assessment of warehouse building partially damaged by fire caused by external source (fire of lorries close to the building). The authors focus on the site investigations and laboratory test results prior to assessing actual condition of the structural elements. Both strengthening concept and repair procedure of a steel column are addressed here. A short literature survey in the...
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Improvements and new functionalities of UNRES server for coarse-grained modeling of protein structure, dynamics, and interactions
PublikacjaIn 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
PublikacjaPolysaccharides, 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
PublikacjaIncreasing 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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Multi-objective optimization of the cavitation generation unit structure of an advanced rotational hydrodynamic cavitation reactor
PublikacjaHydrodynamic 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...
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Analysis of the structure of the atomized fuel spray with marine diesel engine injector in the early stage of injection
PublikacjaThis 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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Modal Adjustment of Rayleigh Based Structural Damping and Coordinate-Partitioning Algorithm Dedicated to Frictionless Contact Constraints between Multibody System and Structure Modelled with Finite Elements
PublikacjaThe paper presents a dedicated numerical algorithm. The algorithm is advantageous during investigations of the dynamics of a hybrid multibody / finite-elements system. We focus our attention on interactions resulting from mechanical contact. Pointwise contact connects a vertex of the multibody structure and a surface of the elastic reference body. Instead of a positive value of the relative penetration factor, constraint equations...
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Młode Miasto 2.0 - współczesne zagadnienia miejskiej transformacji
PublikacjaArtykuł stanowi podsumowanie konferencji pod tym samym tytułem, jaka odbyła się w kwietniu 2016r. w Gdańsku.
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ESCASA : Analytical estimation of atomic coordinates from coarse‐grained geometry for nuclear‐magnetic‐resonance ‐assisted protein structure modeling. I. Backbone and Hβ protons
PublikacjaA method for the estimation of coordinates of atoms in proteins from coarse-grained geometry by simple analytical formulas (ESCASA), for use in nuclear-magnetic-resonance (NMR) data-assisted coarse-grained simulations of proteins is proposed. In this paper, the formulas for the backbone Hα and amide (HN) protons, and the side-chain Hβ protons, given the Cα-trace, have been derived and parameterized, by using the interproton distances...
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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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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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Interfaces with Structure Dynamics of the Workhorses from Cells Revealed through Cross-Linking Mass Spectrometry (CLMS)
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Scale-consistent approach to the derivation of coarse-grained force fields for simulating structure, dynamics, and thermodynamics of biopolymers
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Structure determination of UL49.5 transmembrane protein from bovine herpesvirus 1 by NMR spectroscopy and molecular dynamics
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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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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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Support interlinking of design and process planning by set of experience knowledge structure and decisional DNA: Conceprual Approach
PublikacjaKoncepcja wspomagania planowania procesow p-rzy pomocy SOEKS oraz Decyzjnego DNA.
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SmallAngle Neutron Scattering Study of the Structure of Mixed Micellar Solutions Based on Nonionic and Two Cationic Surfactants
PublikacjaThe aggregation in mixed water systems based on nonionic surfactant, i.e., heptaethylene glycol monotetradecyl ether (C14E7), and cationic surfactants, i.e., cetyltrimethylammonium bromide (CTAB), and cetyltrimethylammonium chloride (CTAC) has been investigated using the smallangle neutron scattering method. The preliminary results of the study of the behavior of C14E7 aqueous solutions (for a concentration of 0.17%) when adding...
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Three-dimensional structure of wave-induced momentum flux in irrotational waves in combined shoaling-refraction conditions
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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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Structure and electrical properties of ceramic proton conductors obtained with molten-salt and solid-state synthesis methods
PublikacjaPublikacja omawia wyniki badań niobanu lantanu domieszkowanego akceptorowo pod kątem właściwości elektrycznych i strukturalnych.
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Influence of Ionic Liquid Structure on Supported Ionic Liquid Membranes Effectiveness in Carbon Dioxide/Methane Separation
PublikacjaThis paper indicates the possibility of application of imidazolium ionic liquids immobilized in polymeric supports—supported ionic liquid membranes—in CO2 separation from gaseous streams (e.g., biogas). Imidazolium salts containing alkyl fluoride anions, bis(trifluoromethylsulfonyl)imide and trifluoromethanesulfonate, selectively separating CO2 were used. The permeability of CO2 through membranes was investigated under gas pressure...
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Effects of Urea and Trimethylamine-N-oxide on the Properties of Water and the Secondary Structure of Hen Egg White Lysozyme
PublikacjaW celu określenia sposobu hydratacji mocznika i N-tlenku trimetyloaminy, wykorzystano spektroskopię oscylacyjną FTIR. Dane eksperymentalne, otrzymane z pomiarów widm oscylacyjnych wody półciężkiej (HDO) rozcieńczonej izotopowo w wodnych roztworach badanych związków, analizowane były za pomocą "metody widm różnicowych". Strukturalno-energetyczna charakterystyka wody zaburzonej przez cząsteczki osmolitów wskazuje, że woda zaburzona...
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Synthesis, chemical structure and properties of cross-linked poly(esterourethanes) based on unsaturated oligo(alkyleneester)diols
PublikacjaW pracy przedstawiono wyniki badań struktury chemicznej i właściwości nienasyconych oligo(alkilenoestro)dioli oraz syntetyzowanych z ich udziałem poli(estrouretanów). Strukturę oligomeroli oraz poliuretanów ustalono w oparciu o wyniki badań FTIR, NMR, analizę elementarną. Właściwości poli(estrouretanów) określono przez pomiary stabilności termicznej, analizę termomechaniczną oraz obliczenia ciężaru cząsteczkowego łańcuchów polimerowych...
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Control of Luminescence by Tuning of Crystal Symmetry and Local Structure in Mn4+ -Activated Narrow Band Fluoride Phosphors
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Structure–activity relationships study on biological activity of peptides as dipeptidyl peptidase IV inhibitors by chemometric modeling
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Design, synthesis and structure–activity relationships of novel phenylalanine-based amino acids as kainate receptors ligands
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TiCoCrFeMn (BCC + C14) High-Entropy Alloy Multiphase Structure Analysis Based on the Theory of Molecular Orbitals
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Inhibition of phthalocyanine-sensitized photohemolysis of human erythrocytes by polyphenolic antioxidants: description of quantitative structure–activity relationships
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Two-electron reduction of quinones by Enterobacter cloacae NAD(P)H:nitroreductase: quantitative structure-activity relationships
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The effect of CeO2 on the thermal stability, structure and thermoluminescence and optically stimulated luminescence properties of barium borate glass
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Designing RBFNs Structure Using Similarity-Based and Kernel-Based Fuzzy C-Means Clustering Algorithms
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Analysis of cost structure of international road transport operators in West Pomeranian voivodship in the years 2008-2014
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PAID-PL—The Polish Version of the Problem Areas in Diabetes Scale: Perfect Reliability and a One-Factor Structure
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Combining the MARTINI and Structure-Based Coarse-Grained Approaches for the Molecular Dynamics Studies of Conformational Transitions in Proteins
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Interconnected nanoporous carbon structure delivering enhanced mass transport and conductivity toward exceptional performance in supercapacitor
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Morphology and local chain structure of polyamide 6 modified in the solid state with a semi-aromatic nylon salt
PublikacjaStructural and conformational differences between the polyamide 6 (PA6) homopolymer and two copolymers of PA6 modified in the solid state with 20 and 30 wt% of the semi-aromatic nylon salt of 1,5-diamino-2-methylpentane (Dytek A) and isophthalic acid (IPA) in the feed were investigated. Room temperature wide-angle X-ray diffraction (WAXD) analysis together with 13C{1H} cross-polarization/magic-angle spinning solid-state (CP/MAS)...
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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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Structure and electric conductivity of reduced lead-germanate, bismuth-germanate and bismuth-silicate glasses modified with potassium
PublikacjaZbadano szkła germanianowo-ołowiowe i krzemianowo+bizmutowe. Warstwy metalicznych granul wytwarzano w nich poprzez redukcję powierzchni w atmosferze wodoru. Praca dotyczy wpływu potasu na właściwości szkła. Przeprowadzono badania metodami mikroskopii sił atomowych, DSC oraz pomiary przewodności elektrycznej. Stwierdzono, że obecność potasu poprawia mechaniczne i technologiczne właściwości szkła.
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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...