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Bulk-Surface Modification of Nanoparticles for Developing Highly-Crosslinked Polymer Nanocomposites
PublikacjaSurface modification of nanoparticles with functional molecules has become a routine method to compensate for diffusion-controlled crosslinking of thermoset polymer composites at late stages of crosslinking, while bulk modification has not carefully been discussed. In this work, a highly-crosslinked model polymer nanocomposite based on epoxy and surface-bulk functionalized magnetic nanoparticles (MNPs) was developed. MNPs were...
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Simulation model for evaluation of packet sequence changed order of stream in DiffServ network
PublikacjaCurrent packet networks use a large variety of mechanisms which should support QoS (Quality of Service). One of those mechanisms is routing (calculating connection paths for incoming service requests). The most effective mechanism in QoS context is dynamic routing, which is based on the current network state described by the offered traffic matrix and link states. After switching between calculated available paths, connection...
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Interactions of telomeric proteins with nucleic acids: sequence recognition on intact and oxidatively damaged telomeres
PublikacjaTelomeres are complex nucleoprotein assemblies that play a vital role in the maintenance of functional ends of linear chromosomes. Telomeric DNA, composed of tandem repeats of the 5'-TTAGGG-3' motif, solves the so-called end replication problem: as chromosomes shorten with each cell division, no information is lost, and the telomere can be re-extended. In the cell, many protein factors regulate telomere length, nuclear positioning...
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Communication Model Order Reduction in Hybrid Methods Involving Generalized Impedance Matrix
PublikacjaA novel strategy for the efficient analysis of frequency-domain scattering electromagnetic problems in open and closed domains is presented. A fully automatic model-order reduction technique, called the enhanced reduced-basis method, is applied to increase the efficiency of the hybrid approach, which combines the finite-element and mode-matching methods. Numerical tests show that the proposed algorithm yields reliable and highly...
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Compressed Projection Bases for Model-Order Reduction of Multiport Microwave Components Using FEM
PublikacjaThis paper presents a projection basis compression technique for generating compact reduced-order models (ROM) in the FE analysis of microwave devices. In this approach redundancy is removed from the projection basis by means of the proper orthogonal decomposition technique applied to the projected system of linear equations. Compression allows for keeping the size of a reduced-order model as small as possible without compromising...
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A Model-Order Reduction Approach for Electromagnetic Problems With Nonaffine Frequency Dependence
PublikacjaThe aim of this paper is to present a novel model-order reduction (MOR) technique for the efcient frequency-domain nite-element method (FEM) simulation of microwave components. It is based on the standard reduced-basis method, but the subsequent expansion frequency points are selected following the so-called sparsied greedy strategy. This feature makes it especially useful to perform a fast-frequency sweep of problems that lead...
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Dominant Pathways of Adenosyl Radical-Induced DNA Damage Revealed by QM/MM Metadynamics
PublikacjaBrominated nucleobases sensitize double stranded DNA to hydrated electrons, one of the dominant genotoxic species produced in hypoxic cancer cells during radiotherapy. Such radiosensitizers can therefore be administered locally to enhance treatment efficiency within the solid tumor while protecting the neighboring tissue. When a solvated electron attaches to 8-bromoadenosine, a potential sensitizer, the dissociation of bromide...
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Kinetics of molecular decomposition under irradiation of gold nanoparticles with nanosecond laser pulses—A 5-Bromouracil case study
PublikacjaABSTRACT Laser illuminated gold nanoparticles (AuNPs) efficiently absorb light and heat up the surrounding medium, leading to versatile applications ranging from plasmonic catalysis to cancer photothermal therapy. Therefore, an in-depth understanding of the thermal, optical, and electron induced reaction pathways is required. Here, the electrophilic DNA nucleobase analog 5-Bromouracil (BrU) has been used as a model compound to...
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Experimental and numerical investigation of mercury removal from flue gas by sorbent polymer composite
PublikacjaThis paper presents an experimental and numerical investigation of the performance of a sorbent polymer composite (SPC) material used for removing mercury from the flue gases in a full-scale industrial installation. The investigated material is an attractive alternative to activated carbon, which is commonly used for this purpose. While the application of the SPC is characterized by high capital expenditures, this technology offers...
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Greedy Multipoint Model-Order Reduction Technique for Fast Computation of Scattering Parameters of Electromagnetic Systems
PublikacjaThis paper attempts to develop a new automated multipoint model-order reduction (MOR) technique, based on matching moments of the system input–output function, which would be suited for fast and accurate computation of scattering parameters for electromagnetic (EM) systems over a wide frequency band. To this end, two questions are addressed. Firstly, the cost of the wideband reduced model generation is optimized by automating a...
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A Subspace-Splitting Moment-Matching Model-Order Reduction Technique for Fast Wideband FEM Simulations of Microwave Structures
PublikacjaThis article describes a novel model-order reduction (MOR) approach for efficient wide frequency band finite-element method (FEM) simulations of microwave components. It relies on the splitting of the system transfer function into two components: a singular one that accounts for the in-band system poles and a regular part that has no in-band poles. In order to perform this splitting during the reduction process, the projection...
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Thermal utilization of meat and bone meals. Performance analysis in terms of drying process, pyrolysis and kinetics of volatiles combustion
PublikacjaA development of technology of thermal utilization requires a thorough knowledge of the physicochemical properties, as well as kinetics of combustion of volatiles and char. Due to waste management regulations the meat and bone meal (MBM) is regarded as biofuel constituting one of the alternatives to fossil fuels in the energy market. MBM is a heterogeneous material that may consist of several different fractions. The extensive...
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Efficient analysis of structures with rotatable elements using model order reduction
PublikacjaThis paper presents a novel full-wave technique which allows for a fast 3D finite element analysis of waveguide structures containing rotatable tuning elements of arbitrary shapes. Rotation of these elements changes the resonant frequencies of the structure, which can be used in the tuning process to obtain the S-characteristics desired for the device. For fast commutations of the response as the tuning elements are rotated, the...
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Highly Occupied Surface States at Deuterium-Grown Boron-Doped Diamond Interfaces for Efficient Photoelectrochemistry
PublikacjaPolycrystalline boron-doped diamond is a promising material for high-power aqueous electrochemical applications in bioanalytics, catalysis, and energy storage. The chemical vapor deposition (CVD) process of diamond forma-tion and doping is totally diversified by using high kinetic energies of deu-terium substituting habitually applied hydrogen. The high concentration of deuterium in plasma induces atomic arrangements and steric...
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The possibility of use by-products for synthesis of emulsifiers
PublikacjaIn the last years the interest in use of materials originated from natural sources, e.g. vegetables to produce attractive products still grows. According to that, also the synthesis of these products should be adequate to the green chemistry requirements. The typical example observed in recent years focuses on utlization of bioglycerol - the by - product of global biodiesel manufacturing. The still growing production of biodiesel...
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The influence of magnetic particle incorporation on bisphenol A removal by β-cyclodextrin-derived sorbent
PublikacjaA novel, biomass-derived hybrid sorbent Ban-CD-EPI-Fe was successfully synthesized in a coprecipitation method, in which β-cyclodextrin copolymerized with banana peel extract and epichlorohydrin was grafted onto an iron oxide surface. The composition, presence of functional groups, morphology, thermal stability, and magnetic properties of the obtained material were characterized by Powder X-Ray Diffraction (XRD), X-Ray Photoelectron...
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Identification of nonstationary multivariate autoregressive processes– Comparison of competitive and collaborative strategies for joint selection of estimation bandwidth and model order
PublikacjaThe problem of identification of multivariate autoregressive processes (systems or signals) with unknown and possibly time-varying model order and time-varying rate of parameter variation is considered and solved using parallel estimation approach. Under this approach, several local estimation algorithms, with different order and bandwidth settings, are run simultaneously and compared based on their predictive performance. First,...
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Double-diffusive natural convection energy transfer in magnetically influenced Casson fluid flow in trapezoidal enclosure with fillets
PublikacjaThe prime motive of this disquisition is to deal with mathematical analysis of natural convection energy transport driven by combined buoyancy effects of thermal and solutal diffusion in a trapezoidal enclosure. Casson fluid rheological constitutive model depicting attributes of viscoelastic liquids is envisioned. The influence of the inclined magnetic field governed by Lorentz field law is also considered. To raise the essence...
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Macro-elements and Model Order Reduction for Efficient Three-Dimensional FEM Analysis
PublikacjaAn efficient model order reduction (MOR) methodology for three dimensional vector finite element method (FEM) is developed to accelerate simulations of the structures containing features that cause strong variations of mesh density. As the result of presented algorithm, FEM subsystems of equations corresponding to the selected refined region are converted into a very compact sets of linear equations, called macro-elements.Numerical...
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Model order reduction for subgridding in fdtd scheme
PublikacjaW artykule zaprezentowana została technika pozwalająca na uzyskanie wysokiej rozdzielczości w metodzie FDTD. Prezentowany algorytm jest połączeniem metod redukcji rzędu modelu i lokalnych zagęszczeń zaimplementowanych do FDTD. Pozwala to zmniejszyć liczbę użytych zmiennych stanu, a także skrócić krok czasowy, co skutkuje znacznie krótszym czasem symulacji, niż w przypadku klasycznej metody FDTD.
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A continual model of a damaged medium used for analyzing fatigue life of polycrystalline structural alloys under thermal–mechanical loading
PublikacjaThe main physical laws of thermal–plastic deformation and fatigue damage accumulation processes in polycrystalline structural alloys under various regimes of cyclic thermal–mechanical loading are considered. Within the framework of mechanics of damaged media, a mathematical model is developed that describes thermal–plastic deformation and fatigue damage accumulation processes under low-cycle loading. The model consists of three...
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Lattice filter based autoregressive spectrum estimation with joint model order and estimation bandwidth adaptation
PublikacjaThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running forward in...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublikacjaThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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Improved Performance of 1-Ethyl-3-Methylimidazolium Tetrafluoroborate at Steel/HCl Interface by Iodide Ions
PublikacjaThe corrosion and corrosion inhibition of St37 steel in 0.1 M HCl solution by 1-ethyl-3-methylimidazolium tetrafluoroborate (EMITFB) and the effect of addition of KI on the inhibitive performance of EMITFB have been examined by electrochemical [electrochemical impedance spectroscopy, potentiodynamic polarization, and dynamic electrochemical impedance spectroscopy (DEIS)] and surface examination [scanning electron microscope (SEM)...
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Cloning, expression, and biochemical characterization of a coldactive GDSL-esterase of a Pseudomonas sp. S9 isolated from Spitsbergen island soil
PublikacjaAn estS9 gene, encoding an esterase of the psychrotolerant bacterium Pseudomonas sp. S9 was cloned and sequenced. The deduced sequence revealed a protein of 636 amino acid residues with a molecular mass of 69 kDa.Further amino acid sequence analysis revealed that the EstS9 enzyme contained a G-D-S-L motif centered at a catalytic serine, an N-terminal catalytic domain and a C-terminal autotransporter domain. Two recombinant E. coli...
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Operation evaluation method for marine turbine combustion engines in terms of energetics
PublikacjaAn evaluation proposal (quantitative determination) of an y combustion turbine engine operation has been presented , wherein the impact energy occurs at a given time due to Energy conversion. The fact has been taken into account that in this type of internal combustion engines the energy conversion occurs first in the combustion chambers and in the spaces between the blade of the turbine engine. It was assumed that in the combustion...
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Ocena wpływu dawki DME na wybrane wskaźniki procesu spalania w dwupaliwowym silniku o zapłonie samoczynnym
PublikacjaPrzedmiotem rozprawy jest analiza wpływu różnej ilości odparowanego DME wprowadzonego do kolektora dolotowego na wybrane wskaźniki spalania DME/ON dla wielu punktów pracy, turbodoładowanego silnika o zapłonie samoczynnym. Jako punkty pracy silnika, wybrano punkty najbardziej reprezentujące cykl jazdy WLTP dla samochodu Volkswagen Golf IV. Analizę procesu współspalania przeprowadzono z wykorzystaniem danych pomiarowych, uzyskanych...
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Charge Transfer, Complexes Formation and Furan Fragmentation Induced by Collisions with Low-Energy Helium Cations
PublikacjaThe present work focuses on unraveling the collisional processes leading to the fragmentation of the gas-phase furan molecules under the He+ and He2+ cations impact in the energy range 5–2000 eV. The presence of different mechanisms was identified by the analysis of the optical fragmentation spectra measured using the collision-induced emission spectroscopy (CIES) in conjunction with the ab initio calculations. The measurements of...
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Multilevel model order reduction with generalized compression of boundaries for 3-d FEM electromagnetic analysis
PublikacjaThis paper presents a multilevel Model Order Reduction technique for a 3-D electromagnetic Finite Element Method analysis. The reduction process is carried out in a hierarchical way and involves several steps which are repeated at each level. This approach brings about versatility and allows one to efficiently analyze complex electromagnetic structures. In the proposed multilevel reduction the entire computational domain is covered...
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Study of the Effectiveness of Model Order Reduction Algorithms in the Finite Element Method Analysis of Multi-port Microwave Structures
PublikacjaThe purpose of this paper is to investigate the effectiveness of model order reduction algorithms in finite element method analysis of multi-port microwave structures. Consideration is given to state of the art algorithms, i.e. compact reduced-basis method (CRBM), second-order Arnoldi method for passive-order reduction (SAPOR), reduced-basis methods (RBM) and subspace-splitting moment-matching MOR (SSMM-MOR)
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On Dynamic Extension of a Local Material Symmetry Group for Micropolar Media
PublikacjaFor micropolar media we present a new definition of the local material symmetry group considering invariant properties of the both kinetic energy and strain energy density under changes of a reference placement. Unlike simple (Cauchy) materials, micropolar media can be characterized through two kinematically independent fields, that are translation vector and orthogonal microrotation tensor. In other words, in micropolar continua...
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Lattice filter based multivariate autoregressive spectral estimation with joint model order and estimation bandwidth adaptation
PublikacjaThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a multivariate nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running...
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A hierarchical observer for a non-linear uncertain CSTR model of biochemical processes
PublikacjaThe problem of estimation of unmeasured state variables and unknown reaction kinetic functions for selected biochemical processes modelled as a continuous stirred tank reactor is addressed in this paper. In particular, a new hierarchical (sequential) state observer is derived to generate stable and robust estimates of the state variables and kinetic functions. The developed hierarchical observer uses an adjusted asymptotic observer...
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Time domain validation of ultracapacitor fractional order model
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Grouping macromodels by using multilevel model order reduction
Publikacjaartykuł pprezentuje nowatorską technikę grupowania makromodeli dla metody fdtd. nowa technika bazuje na schemacie wielopoziomowej redukcji rzędu modeli. grupowanie makromodeli pozwala na zwiększenie szybkości symulacji w porównaniu do niezgrupowanych makromodeli, zapewniając przy tym porównywalną dokładność.
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The unstable thermoelectric effect in non-stoichiometric Cu2Se during the non-equilibrium phase transition
PublikacjaThe superionic α ↔ β phase transition in Cu1.96Se thermoelectric material is investigated by means of thermal analysis (DSC) and measurements of Seebeck coefficient and electrical conductivity. Results of the DSC measurements with 1–10 K/min heating and cooling rates show that the material is close to the equilibrium phase composition during the transformation. However, the kinetic limitation of the process exists, which is indicated...
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Thermomagnetic behavior of a semiconductor material heated by pulsed excitation based on the fourth-order MGT photothermal model
PublikacjaThis article proposes a photothermal model to reveal the thermo-magneto-mechanical properties of semiconductor materials, including coupled diffusion equations for thermal conductivity, elasticity, and excess carrier density. The proposed model is developed to account for the optical heating that occurs through the semiconductor medium. The Moore–Gibson–Thompson (MGT) equation of the fourth-order serves as the theoretical framework...
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In vitro enzyme kinetics and NMR-based product elucidation for glutathione S-conjugation of the anticancer unsymmetrical bisacridine C-2028 in liver microsomes and cytosol: major role of glutathione S-transferase M1-1 isoenzyme
PublikacjaThis work is the next step in studying the interplay between C-2028 (anticancer-active unsymmetrical bisacridine developed in our group) and the glutathione S-transferase/glutathione (GST/GSH) system. Here, we analyzed the concentration- and pH-dependent GSH conjugation of C-2028 in rat liver microsomes and cytosol. We also applied three recombinant human GST isoenzymes, which altered expression was found in various tumors. The...
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MODELING THE pH EFFECTS ON NITROGEN REMOVAL IN THE ANAMMOX-ENRICHED GRANULAR SLUDGE
PublikacjaThe aim of the study was to determine the pH effects on nitrogen removal in the anammox-enriched 10 granular sludge. The experimental data were extracted from a 4L completely-mixed batch reactor with the 11 granular sludge at different initial pH values (6.5, 7, 7.5, 8, 8.5, 9, 9.5, 10, 10.5) and constant temperature 12 T=30℃. Simulations were run in GPS-X 6.4 using a comprehensive mechanistic model Mantis2. Two 13 kinetic parameters,...
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Modeling the pH effects on nitrogen removal in the anammox-enriched granular sludge
PublikacjaThe aim of the study was to determine the pH effects on nitrogen removal in the anammox-enriched granular sludge. The experimental data were extracted from a 4L completely-mixed batch reactor with the granular sludge at different initial pH values (6.5, 7, 7.5, 8, 8.5, 9, 9.5, 10, 10.5) and constant temperature T=30℃. Simulations were run in GPS-X 6.4 using a comprehensive mechanistic model Mantis2. Two kinetic parameters, including...
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Curved Surface Minijet Impingement Phenomena Analysed with ζ-f Turbulence Model
PublikacjaThe jet impingement phenomenon plays an important role among the heat transfer intensification methods. Very often its application and analyses refer to simple flat surfaces, while there is a lack of information in the literature for cases addressing curved surfaces. In the present work, the single jet impingement on the non-flat (concave and convex) surface is studied for a wide range of geometries, which originate from the mini-jet...
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Experiments on Preserving Pieces of Information in a Given Order in Holographic Reduced Representations and the Continuous Geometric Algebra Model
PublikacjaGeometric Analogues of Holographic Reduced Representations (GAc, which is the continuous version of the previously developed discrete GA model) employ role-filler binding based on geometric products.Atomic objects are real-valued vectors in n-dimensional Euclidean space and complex statements belong to a hierarchy of multivectors. The property of GAc and HRR studied here is the ability to store pieces of information in a given...
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Model Order Reduction for Problems With Dispersive Surface Boundary Conditions
PublikacjaThis letter proposes a new scheme for reduced-order finite-element modeling of electromagnetic structures with nonlinear, dispersive surface boundary conditions, which optimally exploits the numerically stable and efficient MOR framework for second-order systems provided by SAPOR method. The presented results of numerical experiments for an example of a waveguide filter demonstrate the superior accuracy of the resulting reduced models...
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Mountain pass type periodic solutions for Euler–Lagrange equations in anisotropic Orlicz–Sobolev space
PublikacjaUsing the Mountain Pass Theorem, we establish the existence of periodic solution for Euler–Lagrange equation. Lagrangian consists of kinetic part (an anisotropic G-function), potential part and a forcing term. We consider two situations: G satisfying at infinity and globally. We give conditions on the growth of the potential near zero for both situations.
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Charge Transport in High-Entropy Oxides
PublikacjaThis work presents the results of research on the transport properties of the high-entropy BaZr1/8Hf1/8Sn1/8Ti1/8Y1/8In1/8Sm1/8Yb1/8O3–x perovskite oxide with special focus on proton transport. The presented study is part of broader work in which we focus on multiple different chemical compositions with the cation number varying from 5 up to 12 (in B-sublattice). The presence of proton defects is analyzed with thermogravimetry,...
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Determinanty kreowania wartości marki poprzez media społecznościowe w gospodarce sieciowej
PublikacjaGłównym problemem badawczym podejmowanym w pracy, jest określenie struktury czynników determinujących kreowanie wartości marki w mediach społecznościowych. Dla rozwiązania tego problemu wykonano dwa badania. Pierwsze z nich dotyczyło określenia relacji pomiędzy wartością marki a jej pozycją w sieciach społecznościowych (model BV). Badanie to zrealizowano w oparciu o metody ilościowe: analizę statystyczną danych wtórnych i danych...
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Enzymes of the lysine biosynthetic pathway as targets for antifungals ?
PublikacjaSystemic infections caused by human pathogenic fungi in immunocompromized patients continue to be one of the important clinical problems. Limited availability of safe and efficacious antifungal chemotherapeutics and emerging resistance to existing drugs stimulates search for novel molecular targets for antifungals. The α-aminoadipate pathway (AAP) of L-lysine biosynthesis is unique in fungi and thus has been so far considered...
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The effects of the IM1-12Br ionic liquid and the oxytetracycline mixture on selected marine and brackish microorganisms
PublikacjaThe number of applications and commercialized processes utilizing ionic liquids has been increasing, and it is anticipated that this trend will persist and even intensify in the future. Ionic liquids possess desirable characteristics, such as low vapor pressure, good water solubility, amphiphilicity, and stability. Nevertheless, these properties can influence their environmental behavior, resulting in resistance to biotic and abiotic...
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Analysis of Crash Computation on a Basis of the Pronciple of Linear Momentum and Kinetic Energy
PublikacjaThe article shows the calculation of a vehicle crash with a fixed pile, modelled by the finite element method. There were compared during the crash simulations changes in kinetic energy, as well as – changes in linear momentum and its derivative, with respect to time. Calculations were made in the HyperWorks CAE software environment. The obtained results show influence of various body parts and devices of the deceleration on...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublikacjaDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...