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Wyniki wyszukiwania dla: scoring functions
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Raw data for the paper "Mutually polarizable QM/MM model with in situ optimized localized basis functions"
Dane BadawczeThis dataset contains raw data used to generate plots in the paper Mutually polarizable QM/MM model with in situ optimized localized basis functions. The paper is devoted to a second generation of the TINKTEP model -- an QM/MM approach combining linear-scaling DFT (ONETEP) and a polarizable force field (AMOEBA).
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Curing characteristics and Mooney viscosity of reclaimed rubbers
Dane BadawczePresented data shows the difference in curing characteristics and Mooney’s viscosity between commercially available reclaimed rubbers and ground tire rubber (GTR) with specific particle size distribution cured with the same curing system and with the same manner. Samples were prepared using a two-roll mill. After 24 hours of aging at ambient conditions,...
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The α-µ model of the multipath fading channel
Dane BadawczeThe dataset contains the results of simulations that are part of the research on modelling the multipath fading in the communication channel. The envelope of the α-µ fading process is generated using the Monte-Carlo simulation (MCS) in the LabVIEW programming environment.
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Taksonomia funkcjonalnych kompetencji cyfrowych oraz metodologia pomiaru poziomu funkcjonalnych kompetencji cyfrowych ossb z pokolenia 50 plus (Taxonomy of Functional Digital Skills and Methodology for Measuring the Functional Level of Digital Literacy of People Aged 50 plus)
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The impact of security aspects on functional safety analysis = Wpływ aspectów ochrony informacji na wyniki analiz bezpieczeństwa funkcjonalnego
PublikacjaIt can be said that a distributed control and protection system’s security level may have a significant impact on functional safety analyses and their results. However the issue of integrating those both aspects are difficult and usually is neglected during functional safety analyses. Known methods of functional safety analyses don’t take into consideration this kind of concept also. This paper discusses an attempt to integrate...
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Coincidence of PTPN22 c.1858CC and FCRL3 -169CC genotypes as a biomarker of preserved residual β-cell function in children with type 1 diabetes
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Modeling of Cardiac Component of Subarachnoid Space Changes in Apnoea Resulting as a Function of Blood Pressure and Blood Flow Parameters - Two Mechanizm of Regulation
PublikacjaExperiments were performed in a group of 19 healthy, non-smoking volunteers. The experiment consisted of three apnoeas, sequentially: 30 s apnoea, 60 s apnoea and maximal, that could be done, apnoea. The breath-hold was separated for 5 minutes rest. The following parameters were measured and obtained for further analysis: blood parameters, artery diameter of the internal carotid artery, end-tidal CO2 in expired air, the cardiac...
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Material characterisation of biaxial glass-fibre non-crimp fabrics as a function of ply orientation, stitch pattern, stitch length and stitch tension
PublikacjaDue to their high density-specific stiffnesses and strength, fibre reinforced plastic (FRP) composites are particularly interesting for mobility and transport applications. Warp-knitted non-crimp fabrics (NCF) are one possible way to produce such FRP composites. They are advantageous because of their low production costs and the ability to tailor the properties of the textile to the reinforcement and drape requirements of the application....
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Measurements of Dispersed Phase Velocity in Two-Phase Flows in Pipelines Using Gamma-Absorption Technique and Phase of the Cross-Spectral Density Function
PublikacjaThis paper concerns the application of the gamma radiation absorption method in the measurements of dispersed phase velocity in two-phase flows: liquid–gas flow in a horizontal pipe- line and liquid–solid particles in a vertical pipe. Radiometric sets containing two linear 241Am gamma radiation sources and two NaI(Tl) scintillation detectors were used in the research. Due to the stochastic nature of the signals obtained from the...
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Endothelial function and baroreflex sensitivity according to the oral glucose tolerance test in patients with coronary artery disease and normal fasting glucose levels
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Static magnetic multipole susceptibilities of the relativistic hydrogenlike atom in the ground state: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaWe study far- and near-field magnetic and electric multipole moments induced in the ground state of the Dirac one-electron atom placed in a weak 2L-pole magnetostatic field. The analysis is carried out within the framework of the first-order Rayleigh-Schrödinger perturbation theory, with the use of the Sturmian expansion of the generalized Dirac-Coulomb Green function [Szmytkowski, J. Phys. B 30, 825 (1997);J. Phys. B 30, 2747(E)...
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Magnetic-field-induced electric quadrupole moments for relativistic hydrogenlike atoms: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaWe consider a Dirac one-electron atom placed in a weak, static, uniform magnetic field. We show that, to the first order in the strength of the external field, the only electric multipole moments, which are induced by the perturbation in the atom, are those of an even order. Using the Sturmian expansion of the generalized Dirac-Coulomb Green function we derive a closed-form expression for the electric quadrupole moment induced...
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Static electric multipole susceptibilities of the relativistic hydrogenlike atom in the ground state: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublikacjaThe ground state of the Dirac one-electron atom, placed in a weak, static electric field of definite $2^{L}$ polarity, is studied within the framework of the first-order perturbation theory. The Sturmian expansion of the generalized Dirac-Coulomb Green function [R. Szmytkowski, J. Phys. B: At. Mol. Opt. Phys. 30, 825 (1997); erratum R. Szmytkowski, J. Phys. B: At. Mol. Opt. Phys. 30, 2747 (1997)] is used to derive closed-form analytical...
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Complex Root Finding Algorithm Based on Delaunay Triangulation
PublikacjaA simple and flexible algorithm for finding zeros of a complex function is presented. An arbitrary-shaped search region can be considered and a very wide class of functions can be analyzed, including those containing singular points or even branch cuts. The proposed technique is based on sampling the function at nodes of a regular or a self-adaptive mesh and on the analysis of the function sign changes. As a result, a set of candidate points...
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Rats showing low and high sensitization of frequency-modulated 50-kHz vocalization response to amphetamine differ in amphetamine-induced brain Fos expression
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Mn-Co spinel coatings on Crofer 22 APU by electrophoretic deposition: Up scaling, performance in SOFC stack at 850 °C and compositional modifications
PublikacjaCeramic coatings for metallic interconnects play a key role in limiting corrosion and chromium evaporation in solid oxide cells. This study presents the upscaling of the electrophoretic deposition (EPD) technique to process Mn-Co spinels on real-dimension Crofer 22 APU interconnects and the test in a SOFC stack. Area specific resistance of long-term test conducted for 5000 h at 850 °C demonstrated that two-steps sintering has a...
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Synthesis and structural, electrochemical and photophysical studies of triferrocenyl-substituted 1,3,5-triphenylbenzene: a cyan-light emitting molecule showing aggregation-induced enhanced emission
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Prolonged head down bed rest-induced inactivity impairs tonic autonomic regulation while sparing oscillatory cardiovascular rhythms in healthy humans
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Molecular typing of Staphylococcus aureus isolated from cows with mastitis in the east of Poland on the basis of polymorphism of genes coding protein A and coagulase
PublikacjaPolimorfizm genów kodujących białko A i koagulazę wykorzystano do badania zmienności genetycznej bakterii Staphylococcus aureus wyizolowanych z gruczołów mlekowych krów u których stwierdzono stan zapalny. W badanej grupie 82 szczepów wyróżniono 24 genotypy.
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Comparison of stress perceptions and coping strategies among students exposed to COVID-19 in countries with different approaches to anti-pandemic activities
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WHY SHOULD WE ADOPT NON-USED ATTICS OF MONUMENTAL SACRAL CATHOLIC CHURCHES FOR SECULAR PURPOSES?
PublikacjaA motive for adapting the desecrated churches to new purposes is a broadly discussed matter, progressively better investigated and defined. Is it advisable to introduce a new, permanent function, complementary to the sacred one in the historical ecclesial buildings? This paper presents the results of the research on benefits of adapting the non-utilized attics of monumental churches still performing their sacred function, located...
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Uniform expansion estimates in the quadratic map as a function of the critical neighborhood size
Dane BadawczeThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Uniform expansion estimates in the unimodal map with γ=1.5 as a function of the parameter
Dane BadawczeThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Uniform expansion estimates in the unimodal map with γ=2.5 as a function of the parameter
Dane BadawczeThis dataset contains selected results of numerical computations described in the paper "Quantitative hyperbolicity estimates in one-dimensional dynamics" by S. Day, H. Kokubu, S. Luzzatto, K. Mischaikow, H. Oka, P. Pilarczyk, published in Nonlinearity, Vol. 21, No. 9 (2008), 1967-1987, doi: 10.1088/0951-7715/21/9/002.
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Regarding to functional outcomes after extracapsular dissection with partial facial nerve dissection for small and large parotid neoplasms
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Estimation of Potential Leakage from Dumped Chemical Munitions in the Baltic Sea Based on Two Different Modelling Approaches
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Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory
PublikacjaIterative energy minimization with the aim of achieving self-consistency is a common feature of Born-Oppenheimer molecular dynamics (BOMD) and classical molecular dynamics with polarizable force fields. In the former, the electronic degrees of freedom are optimized, while the latter often involves an iterative determination of induced point dipoles. The computational effort of the self-consistency procedure can be reduced by re-using...
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Demolition of the cereal elevator building located in the conservation protection zone in the aspect of technical, functional-utility and economic conditions
PublikacjaThe paper presents a description of the technical condition of the Grain Elevator building situated on the port quay, which after many years of operation has been decommissioned. The immediate reason for the cessation of operation was the change in the use profile of the port quay, which caused the handling of other goods at the quay than the bulk materials originally stored in Elewator Zbożowy. The work contains...
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RF Multi-Functional Input-Reflectionless Dispersive-Delay Structure With Sharp-Rejection Filtering Using Channelization Techniques
PublikacjaA class of RF multi-functional input-reflectionless dispersive-delay structure (DDS) with linear-type in-band groupdelay variation and sharp-rejection bandpass-filtering capability is reported. It exploits a two-branch-channelized/balanced-type circuit with similar low-order reflective DDS units inside its channels, which are connected through input/output 3-dB quadrature wideband couplers. The adopted DDS unit is based on a coupledresonator...
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Bunker demolition located in a conservation protection zone in the light of technical, national defense, functional-utility and economic conditions
PublikacjaThe paper presents a description of the technical condition of the Bunker building located at the port quay, which has been out of use for several decades. The direct reason for the cessation of exploitation was the deletion of Bunker from the Civil Defense records. The paper contains a detailed analysis of the Bunker's technical condition, also taking into account the national defense, functional and utility aspects and the issues...
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Migration of trace elements and radioisotopes to various fractions of solid wastes generated as a result of the sewage sludge incineration process
PublikacjaThe research was aimed at providing new knowledge in the field of chemical characteristics of solid waste generated in the process of combustion of sewage sludge in fluidized bed furnaces. The research material consisted of disposed fluidized beds (DFB), sewage sludge ash (SSA) and air pollution control residues (APC) from three Polish installations for the thermal treatment of sewage sludge. Natural radionuclides as well as anthropogenic...
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Mobility and bioavailability of mercury in sediments of the southern Baltic sea in relation to the chemical fractions of iron: Spatial and temporal patterns
PublikacjaMarine sediments play a significant role as reservoirs for mercury (Hg), a bioaccumulative toxic pollutant that poses risks to human and ecosystem health. Iron (Fe) has been recognized as an influential factor in the complexation and bioavailability of Hg in sediments. However, limited studies have investigated the interactions between the chemical fractions of these elements in natural settings. This study aims to examine the...
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Large-scale converting waste coffee grounds into functional carbon materials as high-efficient adsorbent for organic dyes
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Mobility and bioavailability of mercury in sediments of the southern Baltic sea in relation to the chemical fractions of iron: Spatial and temporal patterns
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Functional Bi2O3/Gd2O3 Silica-Coated Structures for Improvement of Early Age and Radiation Shielding Performance of Cement Pastes
PublikacjaThis study presents a new approach towards the production of sol-gel silica-coated Bi2O3/Gd2O3 cement additives towards the improvement of early mechanical performance and radiation attenuation. Two types of silica coatings, which varied in synthesis method and morphology, were used to coat Bi2O3/Gd2O3 structures and evaluated...
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Comparison of antioxidant and enzyme inhibition activities as well chemical composition of different extracts and fractions of Rubus caesius leaves
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Determination of an adequate number of competitive functional models in the square Msplit(q) estimation with the use of a modified Baarda’s approach
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Density Functional Theory Studies on Ir Spectra of the Triphenylene Derivatives. A Scaled Quantum Mechanical Force Field Approach
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Effect of Inoculation with Probiotics and Ageing Time on Selected Functional Properties and Oxidation of Proteins in Dry-Cured Pork Loins
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Microstructure and functional properties of sorbitol-plasticized pea protein isolate emulsion films: Effect of lipid type and concentration
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Multi-functional monodispersed SiO2-TiO2 core-shell nanostructure and TEOS in the consolidation of archaeological lime mortars surfaces
PublikacjaArchaeological traditional lime mortars are susceptible to many environmental conditions such as the impact of water (rain, humidity, groundwater, etc.), variation of temperatures' degrees, wind and/or pollution. Accordingly, this research aims to provide newly assessed multifunctional Nano-coating for the purpose of archaeological lime mortar protection. For this, the study combined physicochemical and mechanical characterizations...
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Antioxidant potential, mineral composition and inhibitory effects of conifer needle extract on hyaluronidase - prospects of application in functional food
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Synthesis, structure and properties of poly(ether-urethane)s synthesized using a tri-functional oxypropylated glycerol as a polyol
PublikacjaThe main aim of this work was to obtain poly(ether-urethane)s using tri-functional polyoxyalkylene polyol (Rokopol G1000), which introducing the chemical cross-links into the structure of polyurethanes. Poly(ether-urethane)s were prepared using two-step method, called prepolymer method, which involves in the first step the reaction of 4,4'-diphenylmethane diisocyanate (MDI) and tri-functional polypropylene glycol glycerol triether...
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Clay-filled starch films. Part I: Effect of clay kind and glycerol concentration on functional properties of composites
PublikacjaThe aim of this work was to improve the mechanical and water barrier properties of composite filmsprepared from starch and clays, plasticized with glycerol at different concentrations. The effects ofhydrophilic Closite Naþand Nanomer PGV were compared with that exerted by organicallymodifiedmorehydrophobicNanofil2 and NanoBent ZR-1. The antimicrobial activity of compositescontaining hydrophobic clays was also investigated. The hydrophilic...
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Improved performance of LaNi0.6Fe0.4O3 solid oxide fuel cell cathode by application of a thin interface cathode functional layer
PublikacjaIn this work, novel functional layers were prepared by a low temperature spray pyrolysis method on the oxygen side of the solid oxide cells. Thin layers of Ce0.8Gd0.2O2 and LaNi0.6Fe0.4O3 are prepared between the electrolyte and the porous oxygen electrode. Additionally the influence of the sprayed ceria barrier layer on the zirconia based electrolyte with the new layers is evaluated. Impedance spectroscopy results show improvement...
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Correction: Highly stable organic–inorganic junction composed of hydrogenated titania nanotubes infiltrated by a conducting polymer
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Modeling of the fascia-mesh system and sensitivity analysis of a junction force after a laparoscopic ventral hernia repair
PublikacjaW pracy rozpatrywano prosty model cięgnowy układu powięż-siatka do oszacowania siły połączenia siatki z powięzią po operacji laparoskopowej przepukliny brzusznej. Cięgno obciążone jest ciśnieniem wewnątrz brzusznym, symulującym kaszel, oraz przemieszczeniami jego końców wywołanymi skłonami pacjenta. Wpływ poszczególnych parametrów cięgna na siłę połączenia określono za pomocą analizy wrażliwości. Sformułowano pewne wnioski ważne...
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Broadband Compact Single-Layer Magic-T Junction with Separation of DC Signals between All Ports
PublikacjaA novel structure for a four-port microstrip magic-T junction is presented. The device is composed of microstrip and slotline circuits etched onto two sides of a dielectric substrate. The device is extremely compact and occupies an area more than three times smaller than similar structures recently reported in the literature. The novelty of the device lies in the use of microstrip/slotline transitions for both input ports: summation...
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Photovoltaic effect in the single-junction DBP/PTCBI organic system under low intensity of monochromatic light
PublikacjaPhotoelectric properties of the planar ITO/MoO3/DBP/PTCBI/BCP/Ag system were characterized on the basis of short-circuit current, open-circuit voltage and absorption spectra, and current-voltage measurements in the dark and under monochromatic illumination of low intensity. Photovoltaic performance of the system was compared with the performance of ideal semiconductor and excitonic cells of chosen bandgaps. Such analysis shows,...