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Search results for: NOVEL ELASTICITY THEORY
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Open Research DataThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...
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The absorption and fluorescence spectra of novel bisacridines (IKE15-19, IKE21) and IE10, potential antifungal agents
Open Research DataOptical measurements of novel bisacridines (IKE15-19, IKE21) and IE10 were conducted. The absorption spectra were recorded from 300 to 800 nm. The fluorescence emission spectra were determined with excitation and emission wavelengths described in the file. All measurements were recorded using a multiplate reader, Tecan Spark 10M.
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A novel method for drop in drop edible oils encapsulation with chitosan using a coaxial technique
Open Research DataThe dataset present a novel one step method for oil encapsulation. In this coaxial system the oil constitutes the core of the capsule, while the chitosan solution is the polymer shell surrounding the core to provide separation of the core from the external environment. In comparison to other encapsulation methods, the presented technique is much simpler...
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Effect of novel bisacridines (IKE16, IKE18, IKE19, IKE21) and IE10 on the biofilm formation of C. albicans ATCC 10231 cells
Open Research DataThe datasets contain the results of the impact of novel bisacridines (IKE16, IKE18, IKE19, IKE21) and IE10 on the biofilm formation of Candida albicans strain ATCC 10231 cells. Photographic documentation prepared with the TECAN Spark 10M titration plate reader.
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Results and models for Novel high frequency components with non-conventional shape employing smooth geometry deformation of 3D solid with FFD
Open Research DataThe project aims to investigate the possibility of developing and manufacturing novel high frequency devices having non-standard geometries, allowing for improved electromagnetic performance over what is achievable with currently available design tools. The non-conventional geometry will be obtained by employing the free-form shape deformation technique...
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Effect of Jerusalem artichoke addition on texture profile of bread
Open Research DataThe dataset contains the results of Jerusalem artichoke addition on the texture of wheat bread. The following bread variants were tested: control bread, bread with 15% and 30% Jerusalem artichoke addition. Measurements were made immediately after baking. On the basis of data, the following parameters were determined: hardness, elasticity, cohesion and...
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The effect of the flaxseed addition on the texture of wheat bread
Open Research DataThe dataset contains the results of flaxseed addition on the texture of toasted bread. The following bread variants were tested: control bread, bread with 8% and 12% linseed addition and competitive bread. Measurements were made immediately after baking and after 4 days. On the basis of data the following parameters were determined: hardness, elasticity,...
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List of initial and final geometries of hybrid organic-inborganic perovskites
Open Research DataList of initial and optimized geometries of hybrid organic-inorganic perovskites. Calculations were performed on DFT level of theory. Those results were reported in the Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3 publication. Geometries, HOMO, LUMO, Band gap energies are concatenated...
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The luminescence study of LiGa5(1−x)O8:5xCr3+ coumpounds
Open Research DataInfrared luminescent materials have evoked much attention from chemists and material scientists. Although substantial progress is made in materials design, the luminescent mechanism remains ambiguous in the complex structures, presenting major barriers to developing novel infrared luminescent materials. Herein, this study aims to deliberate a complete...
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Carbon balance of SOFC fueled by biogas mixture at 750 C
Open Research DataThe dataset contains the calculated carbon balance for the SOFC fueled by synthetic biogas mixture (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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Minimal number of periodic points for smooth self-maps of simply-connected manifolds
Open Research DataThe problem of finding the minimal number of periodic points in a given class of self-maps of a space is one of the central questions in periodic point theory. We consider a closed smooth connected and simply-connected manifold of dimension at least 4 and its self-map f. The topological invariant D_r[f] is equal to the minimal number of r-periodic points...
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Non-enzymatic glutathione-mediated conjugation of unsymmetrical bisacridine C-2028 with anticancer activity
Open Research DataThe presented data complement the studies on the interplay between C-2028 (anticancer-active unsymmetrical bisacridine) and the glutathione S-transferase/glutathione (GST/GSH) system.
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Dynamics of S-unimodal maps used in population modeling.
Open Research DataS-unimodal maps are maps of the interval with negative Schwarzian derivative and having only one turning point (such that the map is increasing to the left of the turning point and decreasing to the right of it). Theory of S-unimodal maps is now a well-developed branch of discrete dynamical systems, including famous Singer theorem which implies existence...
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Nuclear Magnetic Resonance data for the synthesis of esterase cleavable antifungal conjugates containing fatty acids as molecular carriers
Open Research DataNMR data for novel organic compounds - conjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker.
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The luminescence study of Sr3−xBaxP5N10Cl: Eu2+ nitridophosphate.
Open Research DataA series of zeolitic nitridophosphate phosphors Sr2.91−xBaxP5N10Cl:0.09Eu2+ was synthesized by our collaborators from National Taiwan University using a hot isostatic press. Detailed thermal properties were determined using the temperature-dependent photoluminescence intensity and decay time. This research provides a different perspective to analyze...
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Carbon activity coefficients of SOFC and SOFC with LSCNT layer fueled by biogas mixture at 750 C - longterm
Open Research DataThe dataset contains the calculated carbon activity coefficient for the SOFC and SOFC with LSCNT layer (La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s) fueled by synthetic biogas mixture (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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Reaction quotients of reforming reactions for SOFC and SOFC with LSCNT layer fueled by biogas mixture at 750 C - longterm
Open Research DataThe dataset contains the calculated reaction quotients of reforming reactions for the SOFC and SOFC with LSCNT layer (La0.27Sr0.54Ce0.09Ni0.1Ti0.9O3-s) fueled by synthetic biogas mixture (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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SEM micrographs of boron-doped nanocrystalline diamond-carbon nanospikes
Open Research DataThis dataset contains the Scanning Electron Microscopy (SEM) micrographs taken for rich boron-doped carbon crystalline nanospikes/nanograss structures, at different magnifications, encoded in the labels of the images. The micrographs were made using Hitachi S-3400N SEM microscope in secondary electron mode under 20 kV accelerating voltage. No additional...
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Change of exhaust gases concentration for SOFC fueled by H2 and biogas mixture at 750 C
Open Research DataThe dataset contains the Change of exhaust gases concentration for SOFC fueled by H2 (for 12h) and biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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AFM visualization of Mg alloy surface modification
Open Research DataMagnesium alloys with additives improving their mechanical properties are valued as materials with low density and elasticity coefficient. Additionally, their biocompatibility and biodegradability make them interesting in prosthetic applications. However, the last of these features, valuable in medicine, contradicts the industrial needs for the described...
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SEM micrographs of diamond-phase (sp3-C) rich boron-doped carbon nanowalls (sp2-C)
Open Research DataThis dataset contains the Scanning Electron Microscopy (SEM) micrographs taken for rich boron-doped carbon nanowalls structures, with different boron addition during the synthesis process and different CVD synthesis duration. The [B]/[C] ratios in the plasma were set to 0k, 1.2k, 2k and 5k ppm. The time of growth was ranging between 4 and 9 hours. This...
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Validation of result of STM probe fabrication
Open Research DataThe scanning tunneling microscope [1] is a powerful research tool that allows, among other things, to obtain images with atomic resolution. A serious limitation of the described microscope is its limited applicability relating to conductive and semiconductor materials and the reproducibility of measurements depending on the preparation of the measuring...
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Database of the minimal sets of Lefschetz periods for Morse-Smale diffeomorphisms of a connected sum of g real projective planes.
Open Research DataMorse–Smale diffeomorphisms, structurally stable and having relatively simple dynamics, constitute an important subclass of diffeomorphisms that were carefully studied during past decades. For a given Morse–Smale diffeomorphism one can consider “Minimal set of Lefschetz periods”, which provides the information about the set of periodic points of considered...
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The database of odd algebraic periods for quasi-unipotent self-maps of a space having the same homology group as the connected sum of g tori
Open Research DataThe dataset consists of 20 files indexed by numbers g=1,...,20. Each file provides sets of odd algebraic periods for all quasi-unipotent self-maps of a space having the same homology groups as the connected sum of g tori. Let us remark that each data set covers all algebraical restrictions that come from zeta functions for the sets of minimal Lefschetz...
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The luminescence study of Sr0.98Li2.5 + zAl1.5 – zO3 + 2zN1 – 2z:0.02Eu coumpounds.
Open Research DataEu2+-doped UCr4C4-type oxynitride phosphors are emerging innovative materials to replace oxide and nitride phosphors for high-end light-emitting devices. A series of Sr0.98Li2.5 + zAl1.5 – zO3 + 2zN1 – 2z:0.02Eu phosphors were synthesized by collaborators from the National Taiwan University by precursor engineering, and these products showed an unexpected...
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The luminescence study of Sr2−xSrxPN3:Eu2+ nitridophosphate.
Open Research DataIn this work, a series of Ca2−xSrxPN3:Eu2+ nitridophosphate phosphors through a solid-solution strategy involving a hot isostatic press was developed by collaborators from National Taiwan University. Unexpected dual emissions in the red and infrared regions are observed, different from previous research results. The unique change in red and near-infrared...
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Simulation of perovskite-based CuI/CH3NH3PbI3/TiO2 solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/TiO2 model structure (Model 1) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Simulation of perovskite-based CuI/CH3NH3PbI3/SnO2 solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/SnO2 model structure (Model 2) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Simulation of perovskite-based CuI/CH3NH3PbI3/ZnO solar cell performance
Open Research DataThe presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/ZnO model structure (Model 3) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/).
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Mechanical properties of VL E27 steel for shipbuilding – tensile test in +20°C, elastic modulus
Open Research DataOne of the basic divisions of steels used for ship hulls and ocean engineering structures is the division into: normal strength steels, high strength steels and extra high strength steels. The belonging to the group is determined by the mechanical properties of the steel, such as: yield point, ultimate strength and plastic elongation after fracture....
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Database of the minimal sets of Lefschetz periods for Morse-Smale diffeomorphisms of a connected sum of g tori
Open Research DataMorse–Smale diffeomorphisms, structurally stable and having relatively simple dynamics, constitute an important subclass of diffeomorphisms that have been carefully studied during past decades. For a given Morse–Smale diffeomorphism one can consider “Minimal set of Lefschetz periods”, which provides the information about the set of periodic points of...
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Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C
Open Research DataThe dataset contains the Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit. The parameters are conversion rates, selectivities and yields of products
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Involvement of human glutathione S-transferase M1-1 in the glutathione conjugation of the antitumor unsymmetrical bisacridine derivative C-2028.
Open Research DataUnsymmetrical bisacridines (UAs) are a novel potent class of antitumor-active therapeutics. The aim of this study was to investigate the possible role of human glutathione S-transferase M1-1 (hGSTM1-1) in the glutathione (GSH) conjugation of a representative UA, C‑2028.
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Hanow - Praecepta de arte disputandi - transcription and photographs
Open Research DataPraecepta de arte disputandi by Enlightenment Gdańsk scholar Michael Christoph Hanow (1695-1773) are a combination of rhetorical theory and practical tips on how to effectively conduct discussions.
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Amplitude-distance spectroscopy in semi-contact mode
Open Research DataSince it was invented by Binnig et al. in 1986, atomic force microscopy (AFM) plays a key role in science and technology at the nanoscale. AFM is a microscopic technique that visualizes the surface topography using the attractive and repulsive forces of interaction between several atoms (in theory) of a blade attached to the end of the probe lever and...
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Minimal number of periodic points with the periods less or equal to r in the smooth homotopy class of simply-connected manifolds of dimension 4 and homology groups with the sum of ranks less or equal to10
Open Research DataAn important problem in periodic point theory is minimization of the number of periodic points with periods <= r in a given class of self-maps of a space. A closed smooth and simply-connected manifolds of dimension 4 and its self-maps f with periodic sequence of Lefschetz numbers are considered. The topological invariant Jr[f] is equal to the minimal...
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Minimal number of periodic points with the periods less or equal to r in the smooth homotopy class of simply-connected manifolds of dimension 6 and homology groups with the sum of ranks less or equal to10
Open Research DataAn important problem in periodic point theory is minimization of the number of periodic points with periods <= r in a given class of self-maps of a space. A closed smooth and simply-connected manifolds of dimension 6 and its self-maps f with periodic sequence of Lefschetz numbers are considered. The topological invariant Jr[f] is equal to the minimal...
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Minimal number of periodic points with the periods less or equal to r in the smooth homotopy class of simply-connected manifolds of dimension 5 and homology groups with the sum of ranks less or equal to10
Open Research DataAn important problem in periodic point theory is minimization of the number of periodic points with periods <= r in a given class of self-maps of a space. A closed smooth and simply-connected manifolds of dimension 5 and its self-maps f with periodic sequence of Lefschetz numbers are considered. The topological invariant Jr[f] is equal to the minimal...
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Minimal number of periodic points with the periods less or equal to r in the smooth homotopy class of simply-connected manifolds of dimension 8 and homology groups with the sum of ranks less or equal to 10
Open Research DataAn important problem in periodic point theory is minimization of the number of periodic points with periods <= r in a given class of self-maps of a space. A closed smooth and simply-connected manifolds of dimension 8 and its self-maps f with periodic sequence of Lefschetz numbers are considered. The topological invariant Jr[f] is equal to the minimal...
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Minimal number of periodic points with the periods less or equal to r in the smooth homotopy class of simply-connected manifolds of dimension 7 and homology groups with the sum of ranks less or equal to10
Open Research DataAn important problem in periodic point theory is minimization of the number of periodic points with periods <= r in a given class of self-maps of a space. A closed smooth and simply-connected manifolds of dimension 7 and its self-maps f with periodic sequence of Lefschetz numbers are considered. The topological invariant Jr[f] is equal to the minimal...
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Measurements of raising of 160EC pantograph type
Open Research DataIn this description the results of the experiment and also simulation performed on the total assembly of the 160 EC pantograph type is given. Multibody dynamics of pantograph rising due to external torque and forces are measured for parameter validation of the pantograph model.
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Change of reaction quotients for SOFC fueled by biogas mixture at 750 C
Open Research DataThe dataset contains the Change of reaction quotients for SOFC fueled by biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit.
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Estimates for minimal number of periodic points for smooth self-maps of simply-connected manifolds
Open Research DataWe consider a closed smooth connected and simply-connected manifold of dimension at least 4 and its self-map f. The topological invariant Dr[f] is equal to the minimal number of r-periodic points in the smooth homotopy class of f. We assume that r is odd and all coefficients b(k) of so-called periodic expansion of Lefschetz numbers of iterations are...
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The Chow Ring of flag manifolds
Open Research DataSchubert calculus is the intersection theory of 19th century. Justifying this calculus is the content of the 15th problem of Hilbert. In the course to establish the foundation of algebraic geometry, Van der Vaerden and A. Weil attributed the problem to the determination of the chow ring of flag manifolds G/P, where G is a compact Lie group and P is...
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Potential energy curves and spectroscopic parameters of the diatomic silver anion and neutral silver dimer
Open Research DataThe process of a two-channel decay of the diatomic silver anion (Ag2-), namely the spontaneous electron ejection giving Ag2 + e- and the dissociation leading to Ag- + Ag is theoretically studied. The ground state potential energy curves (PECs) of the neutral silver dimer and anionic silver diatomic molecule are calculated using the single reference...