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Wyniki wyszukiwania dla: AGENT BASED MODELING
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Surrogate modeling of impedance matching transformers by means of variable‐fidelity electromagnetic simulations and nested cokriging
PublikacjaAccurate performance evaluation of microwave components can be carried out using full‐wave electromagnetic (EM) simulation tools, routinely employed for circuit verification but also in the design process itself. Unfortunately, the computational cost of EM‐driven design may be high. This is especially pertinent to tasks entailing considerable number of simulations (eg, parametric optimization, statistical analysis). A possible...
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Synthesis, physicochemical and theoretical studies on new rhodium and ruthenium dimers. Relationship between structure and cytotoxic activity
PublikacjaTwo dimeric compounds of the general formulae (Et3NH)2[Rh2(μ2-L)4Cl2] (1) (where L = thiophene-2-carboxylate) and [((η6-p-cymene)Ru)2(μ-Cl)3]PF6 (2) have been synthesized using a new method. The unique anionic complex 1 (space group P bca) has octahedral coordination in which the equatorial positions are occupied by the oxygen atoms of four thiophene-2-carboxylates in a paddle wheel fashion. In complex 2 (space group ), each Ru(II)...
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Polyurethanes Crosslinked with Poly(vinyl alcohol) as a Slowly-Degradable and Hydrophilic Materials of Potential Use in Regenerative Medicine
PublikacjaNovel, slowly-degradable and hydrophilic materials with proper mechanical properties and surface characteristics are in great demand within the biomedical field. In this paper, the design, synthesis, and characterization of polyurethanes (PUR) crosslinked with poly(vinyl alcohol) (PVA) as a new proposition for regenerative medicine is described. PVA-crosslinked PURs were synthesized by a two-step polymerization performed in a solvent...
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Acetate-Induced Disassembly of Spherical Iron Oxide Nanoparticle Clusters into Monodispersed Core−Shell Structures upon Nanoemulsion Fusion
PublikacjaIt has been long known that the physical encapsulation of oleic acid-capped iron oxide nanoparticles (OA−IONPs) with the etyltrimethylammonium (CTA+) surfactant induces the formation of spherical iron oxide nanoparticle clusters (IONPCs). However, the behavior and functional properties of IONPCs in chemical reactions have been largely neglected and are still not well-understood. Herein, we report an unconventional ligand-exchange...
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Honey antibacterial activity: A neglected aspect of honey quality assurance as functional food
PublikacjaBackground Honey is considered as a functional food with health-promoting properties. Its potent antibacterial and antibiofilm effects are the major attributes of so called ‘medical-grade honey’ which is topically used for the treatment of burns, wounds and skin disorders. Nevertheless, the current set of honey quality parameters adopted in the European Union do not include its biological properties. Furthermore, in light of the...
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Conversion of waste biomass into activated carbon and evaluation of environmental consequences using life cycle assessment
PublikacjaIn this article, activated carbon was produced from Lantana camara and olive trees by H3PO4 chemical activation. The prepared activated carbons were analyzed by characterizations such as scanning electron microscopy, energy-dispersive X-ray spectroscopy, Brunauer–Emmett–Teller, X-ray diffraction, thermogravimetric analysis, and Fourier transform infrared spectroscopy. H3PO4 is used as an activator agent to create an abundant pore...
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Gossiping by energy-constrained mobile agents in tree networks
PublikacjaEvery node of an edge-weighted tree network contains a data packet. At some nodes are placed mobile agents, each one possessing an amount of energy (not necessarily the same for all agents). While walking along the network, the agents spend the energy proportionally to the distance traveled and collect copies of the data packets present at the visited network nodes. An agent visiting a node deposits there copies of all currently...
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Uniform sampling in constrained domains for low-cost surrogate modeling of antenna input characteristics
PublikacjaIn this letter, a design of experiments technique that permits uniform sampling in constrained domains is proposed. The discussed method is applied to generate training data for construction of fast replacement models (surrogates) of antenna input characteristics. The modeling process is design-oriented with the surrogate domain spanned by a set of reference designs optimized with respect to the performance figures and/or operating...
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Comparative modeling of shear localization in granular bodies with FEM and DEM
PublikacjaThe intention of the paper is to compare the calculations of shear zones in granular bodies using two different approaches: a continuum and a discrete one. In the first case, the FEM based on a micro-polar hypoplastic constitutive law was used. In the second case, the DEM was taken advantage of, where contact moments were taken into account to model grain roughness. The comparative calculations were performed for a passive case...
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Modeling the Influence of Salts on the Critical Micelle Concentration of Ionic Surfactants
PublikacjaWe show for the first time that a phenomenological, augmented volume-based thermodynamics (aVBT) model is capable to predict the critical micelle concentrations of ionic surfactants, including ionic liquids, with added salts. The model also adjusts for the type of salt added by including its molecular volume, which might form a connection to the Hofmeister effect. The other physico-chemically relevant quantities included in the...
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Application of PL-Grid Platform for Modeling of the Selected Acoustic Phenomena
PublikacjaDomain grids are specific computational environments, developed within the PLGrid Plus project. For the Acoustic domain grid two supercomputer grid based services were prepared. Dedicated software consists of the outdoor sound propagation module and psychoacoustical noise dosimeter. The results are presented in a form of maps of sound level and Temporary Threshold Shift (TTS) values, therefore the services may play an informative...
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Application of muscle model to the musculoskeletal modeling
PublikacjaThe purpose of this paper is to investigate new fusiform muscle models. Each of these models treats a muscle as a system composedof parts characterized by different mechanical properties. These models explain the influence of differences in the stiffness of lateral parts and the degree of muscle model discretization. Each muscle model is described by a system of differential equations and a single integro-differential equation....
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Modeling DAC Application Execution Time
PublikacjaAn application written in the Divide And Conquer paradigm is more difficult to model than SPMD application because of complex algorithm, causing use of many coefficients in a computational complexity function. Processors are divided into various layers, each layer contains different number of processors. Data packets processed in different layers and transferred between layers have different length. Moreover first layer processors use...
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Modeling bioaugmentation with nitrifiers in membrane bioreactors
PublikacjaBioaugmentation with nitrifiers was studied using two pilot-scale membrane bioreactors, with the purpose of assessing the suitability of state-of-the-art activated sludge models (ASMs) in predicting the efficiency of bioaugmentation as a function of operating conditions. It was demonstrated that the temperature difference between seeding and seeded reactors (ΔT) affects bioaugmentation efficiency. Experimental data were accurately...
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Computer modeling and testing of structural metamaterials
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Molecular Modeling of Meta II Rhodopsin
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Modeling Dynamics of Autonomous Underwater Vehicle.
PublikacjaArtykuł dotyczy budowy modelu autonomicznego pojazdu podwodnego do celów syntezy układu sterowania pojazdem. Rozważany pojazd ma długośc ok. 1 m i 30 cm średnicy. Wyposażony jest w 5 pędników, które pozwalają na sterowanie w pięciu stopniach swobody. Do badań wykorzystano model o 4 stopniach swobody. Dokonano identyfikacji parametrycznej modelu. Model zrealizowano w środowisku programowym Matlab/Simulink.
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Systems modeling and simulation for environmental management.
PublikacjaW pracy omówiono podstawy systemowego modelowania i symulacji w szerokim zakresie zagadnień związanych z zarządzaniem przepływami informacji w środowisko naturalnym.
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On constitutive modeling for technical woven fabric
PublikacjaW pracy przestawiono kilka modeli konstytutywnych przyjmowanych do opisu zachowania się tkanin technicznych. Oprócz modeli zaczerpniętych z literatury autorzy prezentują własną koncepcje modelu stanowiąca rozszerzenie modelu sieci gęstej.This paper describes several types of the constitutive models used for the technical woven fabric description. Besides of the literatures examples of the constitutive models, the authors presented...
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A methodology of visual modeling language evaluation
PublikacjaMetody oceny jakości metod modelowania są istotnym elementem inżynierii języków modelowania wizualnego. W referacie zaproponowano metodę oceny języków modelowania wizualnego na podstawie wymiarów poznawczych. Zaprezentowano metodologiczną dyskusję zastosowania nauk psychologicznych do oceny metod modelowania, metodologię CD-VML, powiązaną z nią metodę CD-VML-UC do oceny przypadków użycia oraz weryfikację metodologii.
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Modeling of nonlinear generation in a bubble layer
PublikacjaPraca prezentuje numeryczne podejście do zagadnienia liniowego i nieliniowego rozpraszania w warstwie z pęcherzykami. Badania numeryczne niekoherentnego rozpraszania wykonano stosując metodę Monte Carlo. Propagację i wsteczne rozpraszanie sygnałów badano w oparciu o równanie Rayleigha-Plesseta.
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Numerical modeling of quantum dynamical processes
PublikacjaIn this dissertation I present a high-precision (15, 18 or 33 decimal places) C++ implementation of quantum dynamics time propagation algorithms for both time-independent and time-dependent Hamiltonian with an inhomogeneous source term. Moreover I present an extension of both algorithms for time propagation to handle arbitrary number of coupled electronic levels. I have performed a careful validation of these implementations comparing...
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The CFD modeling in bioreactor tracer studies
PublikacjaW artykule zaprezentowano badania traserowe w bioreaktorach z osadem czynnym. Przedstawiono efekty działania procesu dyspersji na podstawie obliczonych podłużnych profili koncentracji znacznika w komorach osadu czynnego zlokalizowanych na Oczyszczalni Ścieków "Wschód" w Gdańsku. W ramach badań wykonano symulację przepływu substancji nieaktywnej (bazując na pomierzonych profilach stężenia znacznika) stosując jednowymiarowe równanie...
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Iterative Global Sensitivity Analysis Algorithm with Neural Network Surrogate Modeling
PublikacjaGlobal sensitivity analysis (GSA) is a method to quantify the effect of the input parameters on outputs of physics-based systems. Performing GSA can be challenging due to the combined effect of the high computational cost of each individual physics-based model, a large number of input parameters, and the need to perform repetitive model evaluations. To reduce this cost, neural networks (NNs) are used to replace the expensive physics-based...
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Design-oriented modeling of antenna structures by means of two-level kriging with explicit dimensionality reduction
PublikacjaThe employment of full-wave electromagnetic (EM) analysis is a practical necessity in the design of contemporary antenna structures. This is because simpler models are generally not available or of limited accuracy. At the same time, EM-based design is computationally expensive. Consequently, the ways of accelerating tasks such as parametric optimization or uncertainty quantification have to be sought. A possible workaround that...
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Accelerated multi-objective design optimization of antennas by surrogate modeling and domain segmentation
PublikacjaMulti-objective optimization yields indispensable information about the best possible design trade-offs of an antenna structure, yet it is challenging if full-wave electromagnetic (EM) analysis is utilized for performance evaluation. The latter is a necessity for majority of contemporary antennas as it is the only way of achieving acceptable modeling accuracy. In this paper, a procedure for accelerated multi-objective design of...
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The studies of imidazoacridinone antitumor agent, C-1311, in the field of metabolic transformations with cytochrome P450 isoenzymes
PublikacjaPraca zawiera wyniki badań metabolicznej transformacji przeciwnowotworowej pochodnej imidazoakrydonu C-1311 wobec rekombinantowych ludzkich izoenzymów P450. Związek nie ulegał transformacji w badanych warunkach, natomiast wykazano, że ma zdolność hamowania aktywności izoezymów CYP1A2 i CYP3A4.
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From tryptophan to novel mitochondria-disruptive agent, synthesis and biological evaluation of 1,2,3,6-tetrasubstituted carbazoles
PublikacjaMitochondrial targeting plays an important role in anticancer therapy. The Mn(III)-promoted cyclization of 5- (1H-indol-3-yl)-3-oxopentanoic acid allow to obtain novel substituted carbazole derivatives that can act as mitochondria-disruptive agents. The starting materials used for the synthesis of these new aminocarbazoles are oxopentanoate derivatives of tryptophan. The scope and limitation of this method of synthesis are determined...
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Photosensitive and pH-dependent activity of pyrazine-functionalized carbazole derivative as promising antifungal and imaging agent
PublikacjaCarbazole skeleton plays a significant role as a structural scaffold of many pharmacologically active compounds. Pyrazine-functionalized carbazole derivative was constructed by coupling 2-amino-5-bromo-3-methylaminepyrazine (ABMAP) into 3 and 6 positions of the carbazole ring. Multi-experimental methods were used, e.g., potentiometric, spectroscopic (ATR, UV, XRD powder,1H and13C NMR), electrochemical (cyclic voltammetry), and...
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Nonlinear finite element modeling of vibration control of plane rod-type structural members with integrated piezoelectric patches
PublikacjaThis paper addresses modeling and finite element analysis of the transient large-amplitude vibration response of thin rod-type structures (e.g., plane curved beams, arches, ring shells) and its control by integrated piezoelectric layers. A geometrically nonlinear finite beam element for the analysis of piezolaminated structures is developed that is based on the Bernoulli hypothesis and the assumptions of small strains and finite...
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Intermolecular Interactions of Edaravone in Aqueous Solutions of Ethaline and Glyceline Inferred from Experiments and Quantum Chemistry Computations
PublikacjaEdaravone, acting as a cerebral protective agent, is administered to treat acute brain infarction. Its poor solubility is addressed here by means of optimizing the composition of the aqueous choline chloride (ChCl)-based eutectic solvents prepared with ethylene glycol (EG) or glycerol (GL) in the three different designed solvents compositions. The slurry method was used for spectroscopic solubility determination in temperatures...
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Explicit solvent repulsive scaling replica exchange molecular dynamics ( RS‐REMD ) in molecular modeling of protein‐glycosaminoglycan complexes
PublikacjaGlycosaminoglcyans (GAGs), linear anionic periodic polysaccharides, are crucial for many biologically relevant functions in the extracellular matrix. By interacting with proteins GAGs mediate processes such as cancer development, cell proliferation and the onset of neurodegenerative diseases. Despite this eminent importance of GAGs, they still represent a limited focus for the computational community in comparison to other classes...
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Parallelization of Compute Intensive Applications into Workflows based on Services in BeesyCluster
PublikacjaThe paper presents an approach for modeling, optimization and execution of workflow applications based on services that incorporates both service selection and partitioning of input data for parallel processing by parallel workflow paths. A compute-intensive workflow application for parallel integration is presented. An impact of the input data partitioning on the scalability is presented. The paper shows a comparison of the theoretical...
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Modeling and Strength Calculations of Parts Made Using 3D Printing Technology and Mounted in a Custom-Made Lower Limb Exoskeleton
PublikacjaThis study is focused on the application of 3D-printed elements and conventional elements to create a prototype of a custom-made exoskeleton for lower limb rehabilitation. The 3D-printed elements were produced by using Fused Deposition Modeling technology and acrylonitrile butadiene styrene (ABS) material. The scope of this work involved the design and construction of an exoskeleton, experimental testing of the ABS material and...
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Reliable data-driven modeling of high-frequency structures by means of nested kriging with enhanced design of experiments
PublikacjaData-driven (or approximation) surrogate models have been gaining popularity in many areas of engineering and science, including high-frequency electronics. They are attractive as a way of alleviating the difficulties pertinent to high computational cost of evaluating full-wave electromagnetic (EM) simulation models of microwave, antenna, and integrated photonic components and devices. Carrying out design tasks that involve massive...
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Prognozowanie właściwości złączy spawanych pod wodą metodą lokalnej komory suchej
PublikacjaNiniejsza praca jest poświęcona spawaniu pod wodą metodą lokalnej komory suchej (MLKS) i przedstawia metodologię oraz narzędzia umożliwiające prognozowanie właściwości złączy spawanych wykonanych przy zastosowaniu tej odmiany spawania. Monografia zawiera opis rozwoju spawania pod wodą oraz charakterystykę metod wykorzystywanych do realizacji prac spawalniczych. Zaproponowano nowy podział metod spawania pod wodą, uwzględniający...
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Layered background modeling for automatic detection of unattended objects in camera images
PublikacjaAn algorithm for automatic detection of unattended objects in video camera images is presented. First, background subtraction is performed, using an approach based on the codebook method. Results of the detection are then processed by assigning the background pixels to time slots, based on the codeword age. Using this data, moving objects detected during a chosen period may be extracted from the background model. The proposed approach...
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Modeling and simulation of blood flow under the influence of radioactive materials having slip with MHD and nonlinear mixed convection
PublikacjaRadioactive materials are widely in industry, nuclear plants and medical treatments. Scientists and workers in these fields are mostly exposed to such materials, and adverse effects on blood and temperature profiles are observed. In this regard, objective of the current study is to model and simulate blood based nanofluid with three very important radioactive materials, named as Uranium dioxide (UO2), Thorium dioxide (ThO2) and...
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Numerical modeling and experimental validation of full-scale segment to support design of novel GFRP footbridge
PublikacjaThe paper contains analysis of full-scaled three meters long segment of a novel composite footbridge. Both numerical modeling and experimental validation were performed. Analyzed object is a shell type sandwich channel-like structure made of composite sandwich with GFRP laminates as a skin and PET foam as a core. Several static load schemes were performed including vertical and horizontal forces. In FEM analysis multilayered laminate...
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A new open-source software developed for numerical simulations usingdiscrete modeling methods
PublikacjaThe purpose of this work is to present the development of an open-source software based on a discrete description of matter applied to study the behavior of geomaterials. This software uses Object Oriented Programming techniques, and its methodology design uses three different methods, which are the Discrete Element Method (DEM) [F. Donzé, S.A. Magnier, Formulation of a three-dimensional numerical model of brittle behavior, Geophys....
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Mainstream shortcut N removal modeling current status and perspectives
PublikacjaThis work gives an overview of the state-of-the-art in modelling of short-cut processes for nitrogen removal in mainstream wastewater treatment and presents future perspectives for directing research efforts in line with the needs of practice. The modelling status for deammonification (i.e., anammox-based) and nitrite-shunt processes is presented with its challenges and limitations. The importance of mathematical models for considering...
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Use of structural equation modeling in quantitative research in the field of management and economics: A bibliometric analysis in the systematic literature review
PublikacjaPURPOSE: This paper aims to provide a comprehensive review of scholarly research focusing on using quantitative methods and particularly structural equation modeling (SEM) in management and economics studies, as well as provide a bibliometric agenda including the time horizon of individual publications, the highest citation rate, geographic and industry areas, methodological context, and keywords. METHODOLOGY: A systematic literature...
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Thermal ablation modeling via the bioheat equation and its numerical treatment
PublikacjaThe phenomenon of thermal ablation is described by Pennes’ bioheat equation. This model is based on Newton’s law of cooling. Many approximate methods have been considered because of the importance of this issue. We propose an implicit numerical scheme which has better stability properties than other approaches.
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Periodic and chaotic dynamics in a map‐based neuron model
PublikacjaMap-based neuron models are an important tool in modeling neural dynamics and sometimes can be considered as an alternative to usually computationally costlier models based on continuous or hybrid dynamical systems. However, due to their discrete nature, rigorous mathematical analysis might be challenging. We study a discrete model of neuronal dynamics introduced by Chialvo in 1995. In particular, we show that its reduced one-dimensional...
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Mispronunciation Detection in Non-Native (L2) English with Uncertainty Modeling
PublikacjaA common approach to the automatic detection of mispronunciation in language learning is to recognize the phonemes produced by a student and compare it to the expected pronunciation of a native speaker. This approach makes two simplifying assumptions: a) phonemes can be recognized from speech with high accuracy, b) there is a single correct way for a sentence to be pronounced. These assumptions do not always hold, which can result...
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Surrogate Modeling and Optimization Using Shape-Preserving Response Prediction: A Review
PublikacjaComputer simulation models are ubiquitous in modern engineering design. In many cases, they are the only way to evaluate a given design with sufficient fidelity. Unfortunately, an added computa-tional expense is associated with higher fidelity models. Moreover, the systems being considered are often highly nonlinear and may feature a large number of designable parameters. Therefore, it may be impractical to solve the design problem...
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Innovations in Wastewater Treatment: Harnessing Mathematical Modeling and Computer Simulations with Cutting-Edge Technologies and Advanced Control Systems
PublikacjaThe wastewater treatment landscape in Central Europe, particularly in Poland, has undergone a profound transformation due to European Union (EU) integration. Fueled by EU funding and rapid technological advancements, wastewater treatment plants (WWTPs) have adopted cutting-edge control methods to adhere to EU Water Framework Directive mandates. WWTPs contend with complexities such as variable flow rates, temperature fluctuations,...
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Metabolic activity of tree saps of different origin towards cultured human cells in the light of grade correspondence analysis and multiple regression modeling
PublikacjaTree saps are nourishing biological media commonly used for beverage and syrup production. Although the nutritional aspect of tree saps is widely acknowledged, the exact relationship between the sap composition, origin, and effect on the metabolic rate of human cells is still elusive. Thus, we collected saps from seven different tree species and conducted composition-activity analysis. Saps from trees of Betulaceae, but not from...
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Formation of chlorinated breakdown products during degradation of sunscreen agent, 2-ethylhexyl-4-methoxycinnamate in the presence of sodium hypochlorite
PublikacjaIn this study, a new degradation path of sunscreen active ingredient, 2-ethylhexyl-4-methoxycinnamate (EHMC) and 4-methoxycinnamic acid (MCA) in the presence of sodium hypochlorite (NaOCl), was discussed. The reaction products were detected using gas chromatography–mass spectrometry (GC-MS). Since HOCl treatment leads to more polar products than EHMC, application of polar extracting agents, dichloromethane and ethyl acetate/n-hexane...
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Modeling of Ice Passage Through Reservoirs System on the Vistula River
PublikacjaNumerical model was used to assess ice passage through proposed reservoir on the lower Vistula River. Model results were compared with observation on the Vistula River, but because the dam is not constructed yet, the direct comparison was not possible. The study focused on ice movement and accumulation in the reservoir for variety of low flow condition with and without wind effect. Bridge’s piers in the upper part of the reservoir...