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Wyniki wyszukiwania dla: IMPLICIT SOLVENT
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Exposure scenario and risk assessment of infants and newborns to bisphenols and their derivatives from diapers
PublikacjaNewborns and infants are more sensitive to harmful compounds such as bisphenols and their derivatives because of their not fully developed detoxification mechanism. Exposure to these substances can lead to developmental problems and health consequences in adulthood. Since disposable baby diapers are used from the first days of life and remain in contact with the baby skin, it seems important to monitor the levels of endocrine disrupting chemicals...
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublikacjaThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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A novel hybrid adaptive framework for support vector machine-based reliability analysis: A comparative study
PublikacjaThis study presents an innovative hybrid Adaptive Support Vector Machine - Monte Carlo Simulation (ASVM-MCS) framework for reliability analysis in complex engineering structures. These structures often involve highly nonlinear implicit functions, making traditional gradient-based first or second order reliability algorithms and Monte Carlo Simulation (MCS) time-consuming. The application of surrogate models has proven effective...
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A pore-scale thermo–hydro-mechanical model for particulate systems
PublikacjaA pore scale numerical method dedicated to the simulation of heat transfer and associated thermo–hydro-mechanical couplings in granular media is described. The proposed thermo–hydro-mechanical approach builds on an existing hydromechanical model that employs the discrete element method for simulating the mechanical behavior of dense sphere packings and combines it with the finite volume method for simulating pore space fluid flow...
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Application of the distributed transfer function method and the rigid finite element method for modelling of 2-D and 3-D systems
PublikacjaIn the paper application of the Distributed Transfer Function Method and the Rigid Finite Element Method for modelling of 2-D and 3-D systems is presented. In this method an elastic body is divided into 1-D distributed parameter elements (strips or prisms). The whole body (divided into strips or prism) is described by a set of coupled partial differential equations. Solving this equations in the state space form it is possible...
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Resonant Frequencies in the Open Microstrip Structures Placed on Curved Surfaces
PublikacjaThe paper presents the research on open microstrip structures placed on curved surfaces such as cylindrical, elliptical or spherical. The numerical analysis of investigated structures is based on expansion of electric and magnetic fields into suitable function series. Utilizing the continuity conditions the boundary problem is formulated which is solved with the use of method of moments. The investigated structures find application...
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Swarm Algorithms in Modern Engineering Optimization Problems
PublikacjaComplexity of today engineering problems is constantly increasing. Scientists no longer are facing issues, for which simple, mathematical programming methods are sufficient. Issues like autonomic vehicle navigation or classification are considered to be challenging, and although there exist valid means to solve them, in some cases there still is some place for improvement. With emergence of a new type of optimization techniques...
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A Comparison of Simplified Two-dimensional Flow Models Exemplified by Water Flow in a Cavern
PublikacjaThe paper shows the results of a comparison of simplified models describing a two-dimensional water flow in the example of a water flow through a straight channel sector with a cavern. The following models were tested: the two-dimensional potential flow model, the Stokes model and the Navier-Stokes model. In order to solve the first two, the boundary element method was employed, whereas to solve the Navier-Stokes equations, the...
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Fuzzy Sets in the GIS Environment in the Location of Objects on the Surface of Water Bodies
PublikacjaThe issue presented here focuses on concerns about the localization of the object on water surface. The article shows how to facilitate localization process by applying mathematical solutions characterized by simplicity, rapid action and delivering credible results. The paper shows the results of background experiments, which enabled to collect technical parameters needed for conducting simulation testing. The research has been...
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Lamb wave-based monitoring of shear failure of an adhesive lap joint
PublikacjaThe paper presents a study on the elastic wave propagation in adhesive joints of steel plates subjected to tensile loading. A single lap joint was chosen for analysis because of its simplicity and plurality of applications. Experimental investigations consisted of the uniaxial extension of prepared specimens. Force and displacement values were recorded by a testing machine. Simultaneously, guided Lamb waves were excited and signals...
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Modelling of elastic wave propagation in a bolted joint using a thin layer of shell elements
PublikacjaThere are many mathematical models describing the propagation of elastic waves through the imperfect boundary of two media. They were successfully applied to modelling of high frequency bulk waves and their interaction with local defects. On the other hand, the existing literature models of bolted connections ignore the aspect of imperfect connection between elements. Therefore, this paper presents the concept of application of...
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Convex set of quantum states with positive partial transpose analysed by hit and run algorithm
PublikacjaThe convex set of quantum states of a composite K×K system with positive partial transpose is analysed. A version of the hit and run algorithm is used to generate a sequence of random points covering this set uniformly and an estimation for the convergence speed of the algorithm is derived. For K >3 or K=3 this algorithm works faster than sampling over the entire set of states and verifying whether the partial transpose is positive....
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Application of magnetic nanoparticles for magnetic solid-phase extraction in preparing biological, environmental and food samples
PublikacjaThe need to obtain meaningful results as the basis for determining the content of trace amounts of analytes has become the driving force behind the development of modern analytical techniques, including sample-preparation techniques, such as solid-phase extraction (SPE). Recently, great interest was aroused in the use of magnetic nanoparticles (MNPs) in SPE. These materials exhibit high selectivity, and, in small amounts, can provide...
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The Decisional DNA-Based Smart Bike for Internet of Things
PublikacjaIn this paper, we introduce a novel application of the Internet of Things, the Decisional DNAbased Smart Bike. The Decisional DNA is a domain-independent, flexible and standard knowledge representation structure; it allows its domains to acquire and store experiential knowledge and formal decision events in an explicit way. By using Decisional DNA, the sensor-equipped bicycle is able to learn its user’s weight, riding habits, etc....
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Decoupled Kalman filter based identification of time-varying FIR systems
PublikacjaWhen system parameters vary at a fast rate, identification schemes based on model-free local estimation approaches do not yield satisfactory results. In cases like this, more sophisticated parameter tracking procedures must be used, based on explicit models of parameter variation (often referred to as hypermodels), either deterministic or stochastic. Kalman filter trackers, which belong to the second category, are seldom used in...
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Polysaccharide-based electroconductive hydrogels: Structure, properties and biomedical applications
PublikacjaArchitecting an appropriate platform for biomedical applications requires setting a balance between simplicity and complexity. Polysaccharides (PSAs) play essential roles in our life in food resources, structural materials, and energy storage capacitors. Moreover, the diversity and abundance of PSAs have made them an indispensable part of food ingredients and cosmetics. PSA-based hydrogels have been extensively reviewed in biomedical...
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Finite element modelling of a historic church structure in the context of a masonry damage analysis
PublikacjaThe paper includes a case study of modelling a real historic church using the finite element method (FEM) based on laser scans of its geometry. The main goal of the study was the analysis of the causes of cracking and crushing of masonry walls. An FEM model of the structure has been defined in ABAQUS. A non-linear dynamic explicit analysis with material model including damage plasticity has been performed. A homogenization procedure...
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Model Predictive Super-Twisting Sliding Mode Control for An Autonomous Surface Vehicle
PublikacjaThis paper presents a new robust Model Predictive Control (MPC) algorithm for trajectory tracking of an Autonomous Surface Vehicle (ASV) in presence of the time-varying external disturbances including winds, waves and ocean currents as well as dynamical uncertainties. For fulfilling the robustness property, a sliding mode control-based procedure for designing of MPC and a super-twisting term are adopted. The MPC algorithm has been...
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Smart Virtual Product Development (SVPD) to Enhance Product Manufacturing in Industry 4.0
PublikacjaThis paper presents a system capable of enhancing product development process for industrial manufactured products. This system is known as Smart Virtual Product Development (SVPD), and it helps in decision making by using explicit knowledge of formal decision events. It stores and reuses the past decisional events or sets of experiences related to different activities involved in industrial product development process i.e. product...
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Aptamer based tools for environmental and therapeutic monitoring: A review of developments, applications, future perspectives
PublikacjaNucleic acids in the form of aptamers play a growing and significant role in the targeted and rapid analysis of environmental sample composition and medical analyses. In this paper, the review of both aptamers synthesis methods as well as application of these short chain oligonucleotides (with critical comments on their strong and weak features) are given. The first ones include: systematic evolution of ligands by exponential enrichment...
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Approval of an Arrangement in the Restructuring Proceedings and the Financial Condition of Companies Listed on the Stock Exchanges in Warsaw. Is There Any Relationship?
PublikacjaThis paper attempts to identify the financial indicators differentiating companies that are insolvent or at risk of insolvency and have successfully entered into an arrangement with their creditors from those that have not. In addition, a two-factor model for predicting the odds of an arrangement has been proposed. The research was conducted using a population of companies listed on stock exchanges in Warsaw that initiated restructuring...
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ACTIVATED BIOCHAR AS AN ADSORBENT OF ORGANIC POLLUTANTS FOR WATER AND WASTEWATER TREATMENT
PublikacjaThe use of biomass, especially waste biomass, as an alternative energy source is a very important issue today. Pyrolysis is a process of thermal degradation of raw material and one of its products is biochar. This product is mainly distinguished by its high carbon content, and by improving its quality through activation, it can be more widely used. Activated biocarbon has a strongly developed surface and porous structure, and as...
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Resonant Frequencies in Microstrip Structure with Omega Medium Substrate
PublikacjaThe paper presents the research on a rectangular microstrip structure with multilayer substrate containing dielectric and omega medium layers. The effect of pseudochiral medium layer location in the substrate and its thickness on the resonant frequency of the rectangular microstrip structure is investigated. The numerical analysis of investigated structures is based on expansion of electric and magnetic fields. Utilizing the continuity...
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A New Method of Noncausal Identification of Time-varying Systems
PublikacjaThe paper shows that the problem of noncausal identification of a time-varying FIR (finite impulse response) sys- tem can be reformulated, and solved, as a problem of smoothing of the preestimated parameter trajectories. Characteristics of the smoothing filter should be chosen so as to provide the best trade- off between the bias and variance of the resulting estimates. It is shown that optimization of the smoothing operation can...
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Solubilization of keratins and functional properties of their isolates and hydrolysates
PublikacjaThe keratinous wastes of the textile industry and poultry slaughterhouses may be used as sources of soluble keratins or hydrolysates. This review presents methods for processing raw keratin-based materials into bioproducts with functional and bioactive properties suitable for biomedical, cosmetic, food, and agricultural applications. Soluble keratin can be obtained by thermal treatment in some organic solvents, reduction, or oxidation...
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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublikacjaMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Copper-based 2D-coordination polymer as catalyst for allylation of aldehydes
PublikacjaA copper-tartrate, [Cu2(Tart)2(H2O)2]·4H2O, was synthesized at room temperature in aqueous media using copper chloride and D-tartaric acid. The compound crystallizes in the monoclinic system P21 space group and was characterized by infrared spectroscopy, thermogravimetry, X-ray powder diffraction and the results are in good agreement with the single crystal...
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Pharmaceutical and forensic drug applications of chiral supercritical fluid chromatography
PublikacjaTHE SUPERCRITICAL FLUID IS AN EXCELLENT CHOICE AS THE CHROMATOGRAPHIC MOBILE PHASE BECAUSE IT ALLOWS RAPID SEPARATION WITH HIGH EFFICIENCY AND APPLICATIONS INVOLVING ENANTIORESOLUTION ARE COMMON. SUPERCRITICAL FLUID CHROMATOGRAPHY (SFC) IS INCREASINGLY USED FOR ANALYTICAL, SEMI-PREPARATIVE AND PREPARATIVE PURIFICATION OF CHIRAL COMPOUNDS, INCLUDING PRODUCTION OF ENANTIOMERS THAT ARE MAINLY ENCOUNTERED DURING DRUG DEVELOPMENT. SFC...
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A method for a comprehensive lipidomic analysis of flaxseed (Linum usitatissimum) with the use of LC–Q-TOF-MS and dispersive micro-solid-phase (μDSPE) extraction
PublikacjaFlaxseed (FS) is one of the richest sources of α-linolenic acid oil and lignans, and it is suggested that the consumption of flaxseed may contribute to the prevention of certain chronic diseases such as many types of cancer, diabetes, cardiovascular diseases and cerebrovascular stroke. Here, we demonstrate a new method for comprehensive FS lipidome profiling with the use of LC–Q-TOF-MS and dispersive micro-solid-phase extraction....
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Understainding solid-phase microextraction: key factors influencing the extraction process and trends in improving the technique
PublikacjaAnalytical chemists are faced with the daunting challenges of accurately monitoring the state of the environment and the processes taking place in it and of determining an enormous range of analytes often present in trace and ultratrace amounts in sample matrixes with complex or variable compositions. Further challenges are presented by the need to introduce new methodologies into current analytical practice and equipment to comply...
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A more colorful hat problem
PublikacjaThe topic is the hat problem in which each of n players is randomly fitted with a blue or red hat. Then everybody can try to guess simultaneously his own hat color by looking at the hat colors of the other players. The team wins if at least one player guesses his hat color correctly, and no one guesses his hat color wrong; otherwise the team loses. The aim is to maximize the probability of winning. We consider a generalized hat...
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Interpretable Deep Learning Model for the Detection and Reconstruction of Dysarthric Speech
PublikacjaWe present a novel deep learning model for the detection and reconstruction of dysarthric speech. We train the model with a multi-task learning technique to jointly solve dysarthria detection and speech reconstruction tasks. The model key feature is a low-dimensional latent space that is meant to encode the properties of dysarthric speech. It is commonly believed that neural networks are black boxes that solve problems but do not...
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Employment of passive sampling in monitoring indoor air quality in selected residences in a Tri-city area in Poland
PublikacjaTime-weighted average concentrations of selected volatile compounds were measured in chosen residences in a Tri-City area of Poland by means of passive sampling. The results were compared to those obtained by dynamic technique – sorption tubes filled with Tenax TA sorbent. Results obtained by employing the two techniques were similar. Total volatile organic compound (TVOC) parameters were also determined. An attempt was also...
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Asynchronous time difference of arrival (ATDOA) method
PublikacjaA new method for a location service in the asynchronous wireless sensor networks is outlined. This method, which is called asynchronous time difference of arrival (ATDOA), enables calculation of the position of a mobile node without knowledge of relative time differences (RTDs) between measuring sensors. The ATDOA method is based on the measurement of time difference of arrival between the node and the same sensor at the discrete...
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Identification of nonstationary processes using noncausal bidirectional lattice filtering
PublikacjaThe problem of off-line identification of a nonstationary autoregressive process with a time-varying order and a time-varying degree of nonstationarity is considered and solved using the parallel estimation approach. The proposed parallel estimation scheme is made up of several bidirectional (noncausal) exponentially weighted lattice algorithms with different estimation memory and order settings. It is shown that optimization of...
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Fully Adaptive Savitzky-Golay Type Smoothers
PublikacjaThe problem of adaptive signal smoothing is consid-ered and solved using the weighted basis function approach. Inthe special case of polynomial basis and uniform weighting theproposed method reduces down to the celebrated Savitzky-Golaysmoother. Data adaptiveness is achieved via parallel estimation.It is shown that for the polynomial and harmonic bases andcosinusoidal weighting sequences, the competing signal estimatescan be computed...
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Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublikacjaThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
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Thermostability and photophysical properties of mixed-ligand carboxylate/benzimidazole Zn(II)-coordination polymers
PublikacjaThe reaction between Zn(NO3)2*6H2O or Zn(CH3COO)2*2H2O and isophthalic acid (1,3-H2bdc) in the presence of benzimidazole (Hbzim) in dimethylformamide (DMF)/ethanol (EtOH)/H2O solvent mixture at room temperature yielded two structurally different coordination polymers: [Zn2(1,3-bdc)2(Hbzim)2] (1) and [Zn2(1,3-bdc)(bzim)2] (2). (1) is a 2D-layered framework with a molecule of benzimidazole coordinated to the Zn center, whereas (2)...
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Determination of flavanols by liquid chromatography with fluorescence detection. Application to the characterization of cranberry-based pharmaceuticals through profiling and fingerprinting approaches
PublikacjaIn this work, a new method based on reversed-phase high-performance liquid chromatography (HPLC) with fluorescence detection (FLD) was established for the determination of catechins and related oligomeric proanthocyanidins (PACs) in cranberry-based pharmaceuticals. Compounds were recovered by liquid extraction using methanol/water/hydrochloric acid (60:39:1, v:v:v) as the extraction solvent. The chromatographic separation was carried...
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Antibacterial polyurethanes, modifed with cinnamaldehyde, as potential materials for fabrication of wound dressings
PublikacjaThe epidermis is a skin layer, which protects an organism from the different factors of external environment. Therefore, the fast and effective regeneration of epidermis is important. Potential materials used for epidermis regeneration may be polyurethane scaffolds in form of the thin permeable layers. One and main disadvantage of such polyurethane scaffolds are their lack of antibacterial and antifungal properties. The great proposition...
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Solid phase microextraction: state of the art, opportunities and applications
PublikacjaSolid phase microextraction is one of the most popular green techniques used for sample preparations in analytical chemistry. It is a simple, rapid, sensitive, and solvent-free technique. Since SPME was first introduced in the early 1990s, there has been an intensification of research in order to elaborate new methodical solutions in many research facilities around the world, which could increase the use of this technique. More...
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Do Phenyl Substituents Affect the Properties of Azobenzocrown Derivatives?
PublikacjaNew products of photo- and thermal rearrangements of 19-membered azoxybenzocrown with phenyl substituents in benzene rings in the para positions to oligooxyethylene fragments are characterized. The yields of photochemical transformations depend on the solvent. Para-hydroxyazocrown is formed with yields over 50% in propan-2-ol. Ortho-hydroxyazobenzocrown is obtained with yields up to 70% in toluene/acetic acid mixture. Macrocyclic...
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MoS2-containing composite membranes for separation of environmental energy-relevant liquid and gas mixtures: A comprehensive review
PublikacjaMolybdenum sulfide (MoS2) materials adapted into membranes have demonstrated potential for different areas dealing with molecular separations. For instance, MoS2-based membranes have been proposed for distinct environmental applications, such as water treatment, seawater desalination, gas separation, and solvent separation. Emergently, such membranes have been ultimately investigated for energy-relevant gas separation mixtures,...
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Copper(I) halide cluster-based coordination polymers modulated by chiral ditopic dithiodianthranilide ligands: synthesis, crystal structure and photoluminescence
PublikacjaReaction of copper(I) halides with chiral dithiodianthranilidesmdtaandbdtaafforded polymeric complexeswhere polynuclear CuX clusters were linked together by ditopic bridging ligands into 1D chains or 2D layerstructures. In the case of racemic ligands double stranded chain polymers were formed where the Cu4X4(X = I or Br) cores are connected by enantiomeric pairs of the ditopic ligands. In contrast, a homochiralmdtaligand created...
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The role of centrifugal partition chromatography in the removal of β-asarone from Acorus calamus essential oil
PublikacjaΒ-asarone is a phenylpropane derivative present in the rhizomes of Acorus calamus, that was proved to exhibit toxic effects in humans. Because of its presence the whole plant that is commonly used in traditional medicine for its sedative, anti-inflammatory, neuroprotective and other properties has limited application nowadays. In the study, qualitative and quantitative analysis of a collection of nine essential oil (EO) samples...
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A comprehensive review on Ginger (Zingiber officinale) as a potential source of nutraceuticals for food formulations: Towards the polishing of gingerol and other present biomolecules
PublikacjaCurrently, ginger is one the most consumed plants when dealing with the treatments of various illnesses. So far, it is known that various biologically active molecules, such as gingerols, shogaols and zingerone, among others, are the main responsible for specific biological activities, opening a new window for its utilization as a nutraceutical in foods. In pioneering extraction processes, solvent extraction has been initially...
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Simulations of flows in the coastal zone of the Baltic Sea
Dane BadawczeThe study area is located in the Southern Baltic, within Polish Marine Areas, adjacent to the coastline in the vicinity of Lubiatowo village, where The Coastal Research Station (CRS) – a field laboratory of the Institute of Hydro-Engineering of the Polish Academy of Sciences (IBW PAN) –is situated. The numerical reconstruction of the coastal flow was...
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Mapping the Transglycosylation Relevant Sites of Cold-Adapted β-D-Galactosidase from Arthrobacter sp. 32cB
PublikacjaB-Galactosidase from Arthrobacter sp. 32cB (ArthbetaDG) is a cold-adapted enzyme able to catalyze hydrolysis of beta-D-galactosides and transglycosylation reaction, where galactosyl moiety is being transferred onto an acceptor larger than a water molecule. Mutants of ArthbetaDG D207A and E517Q were designed to determine the significance of specific residues and to enable formation of complexes with lactulose and sucrose and to...
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OpenGL accelerated method of the material matrix generation for FDTD simulations
PublikacjaThis paper presents the accelerated technique of the material matrix generation from CAD models utilized by the finite-difference time-domain (FDTD) simulators. To achieve high performance of these computations, the parallel-processing power of a graphics processing unit was employed with the use of the OpenGL library. The method was integrated with the developed FDTD solver, providing approximately five-fold speedup of the material...
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An algorithm for enhancing macromodeling in finite element analysis of waveguide components
PublikacjaAn algorithm for enhancing the finite element method with local model order reduction is presented. The proposed technique can be used in fast frequency domain simulation of waveguide components and resonators. The local reduction process applied to cylindrical subregions is preceded by compression of the number of variables on its boundary. As a result,the finite element large system is converted into a very compact set of linear...