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Search results for: ambiguous restraints, coarse-grained models, nmr-assisted protein-structure modeling, unres
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Chemical and biological characterization of Ocimum basilicum L. phenolic extract and essential oil derived through ultrasound and microwave-assisted extraction techniques
PublicationPlant-derived bioactive molecules are increasingly utilized in food processing as natural additives, driven by a growing interest in healthier lifestyles. This trend has spurred industries to reformulate products to meet the demands of health-conscious consumers. This study investigates the phenolic extract and essential oil of O. basilicum L. obtained via ultrasound-assisted extraction and microwave-assisted extraction, respectively. Characterization...
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Advanced Macromodel Matrix Structure Cloning for FDTD
PublicationWe propose an improved macromodel-based techniquefor efficient analysis of the structures based on PhotonicCrystals (PhC). The technique involves a new structure of thecoupling matrix and advanced cloning of not only the macromodel matrices, but also the coupling matrices SE and SH.The method allows one to shorten considerably the preprocessingtime, the RAM usage and also the iterating speed of performingFDTD. With this...
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Resonance in Rectangular Microstrip Structure Loaded with a Pseudochiral Medium Layer
PublicationA rectangular microstrip structure with multilayer substrate containing dielectric and pseudochiral medium layers is studied in this paper. The effect of Omega medium layer location in the substrate and its thickness on the complex resonant frequency of the rectangular microstrip structure is investigated.
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On Computationally-Efficient Reference Design Acquisition for Reduced-Cost Constrained Modeling and Re-Design of Compact Microwave Passives
PublicationFull-wave electromagnetic (EM) analysis has been playing a major role in the design of microwave components for the last few decades. In particular, EM tools allow for accurate evaluation of electrical performance of miniaturized structures where strong cross-coupling effects cannot be adequately quantified using equivalent network models. However, EM-based design procedures (parametric optimization, statistical analysis) generate...
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Structure redetermination, transport and thermal properties of the YNi3Al9 compound
PublicationSingle crystals of completely ordered variant of the YNi3Al9 compound were grown by self-flux method with excess of aluminum. The crystal structure of the title compound was redetermined from single crystal X-ray diffraction data. The structure adopts ErNi3Al9 type, space group R32, parameters of the unit cell a = 7.2838(2) Å, c = 27.4004(8) Å. The growth of relatively large single crystals of the YNi3Al9 compound, having completely...
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Adrian Bekasiewicz dr hab. inż.
PeopleAdrian Bekasiewicz received the MSc, PhD, and DSc degrees in electronic engineering from Gdansk University of Technology, Poland, in 2011, 2016, and 2020, respectively. In 2014, he joined Engineering Optimization & Modeling Center where he held a Research Associate and a Postdoctoral Fellow positions, respectively. Currently, he is an Associate Professor with Gdansk University of Technology, Poland. His research interests include...
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Procognitive activity of nitric oxide inhibitors and donors in animal models
PublicationNitric oxide is a small gaseous molecule that plays important roles in the majority of biological functions. Impairments of NO-related pathways contribute to the majority of neurological disorders, such as Alzheimer’s disease (AD), and mental disorders, such as schizophrenia. Cognitive decline is one of the most serious impairments accompanying both AD and schizophrenia. In the present study, the activities of NO donors, slow (spermine...
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Noise profiling for speech enhancement employing machine learning models
PublicationThis paper aims to propose a noise profiling method that can be performed in near real-time based on machine learning (ML). To address challenges related to noise profiling effectively, we start with a critical review of the literature background. Then, we outline the experiment performed consisting of two parts. The first part concerns the noise recognition model built upon several baseline classifiers and noise signal features...
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TiO2-based magnetic nanocomposites with core-shell structure
PublicationThe main aim of the doctoral dissertation was preparation and characterization of photocatalysts, with particular emphasis on modified titanium (IV) oxide photocatalysts, which can be applied for the degradation of organic pollutants not susceptible to biodegradation. A particularly important aspect of the work was the development of preparation method of nanocomposites with the magnetic core-shell and photocatalyst shell (TiO2)...
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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublicationDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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Prediction of Overall In Vitro Microsomal Stability of Drug Candidates Based on Molecular Modeling and Support Vector Machines. Case Study of Novel Arylpiperazines Derivatives
PublicationOther than efficacy of interaction with the molecular target, metabolic stability is the primary factor responsible for the failure or success of a compound in the drug development pipeline. The ideal drug candidate should be stable enough to reach its therapeutic site of action. Despite many recent excellent achievements in the field of computational methods supporting drug metabolism studies, a well-recognized procedure to model...
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An advanced tool integrating failure and sensitivity analysis into novel modeling of the stormwater flood volume
PublicationAn innovative tool for modeling the specific flood volume was presented that can be applied to assess the need for stormwater network modernization as well as for advanced flood risk assessment. Field measurements for a catchment area in Kielce, Poland, were used to apply the model and demonstrate its usefulness. This model extends the capability of recently developed statistical and machine learning hydrodynamic models developed...
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublicationOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Empirical Adjustment of the Selected Propagation Models for Application in the Peculiar Environment of the Container Terminal
PublicationIt is important to look for any propagation model that could be useful for designing mobile radio systems in container terminal environment. Selected propagation models have been investigated. The applied research methodology has been described too. Results of the statistical adjustment in terms of signal loss determination in such environment have been analysed. The analysis has proved effectiveness of adjustment by increasing...
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The congruence of mental models in entrepreneurial teams – implications for performance and satisfaction in teams operating in an emerging economy
PublicationPurpose – The paper aims to explore the relationship between the congruence of mental models held by the members of entrepreneurial teams operating in an emerging economy (Poland) and entrepreneurial outcomes (performance and satisfaction). Design/methodology/approach – The data obtained from 18 nascent and 20 established entrepreneurial teams was analysed to answer hypotheses. The research was quantitative and was conducted using...
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Elimination of clicks from archive speech signals using sparse autoregressive modeling
PublicationThis paper presents a new approach to elimination of impulsivedisturbances from archive speech signals. The proposedsparse autoregressive (SAR) signal representation is given ina factorized form - the model is a cascade of the so-called formantfilter and pitch filter. Such a technique has been widelyused in code-excited linear prediction (CELP) systems, as itguarantees model stability. After detection of noise pulses usinglinear...
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A bifunctional chimeric protein consisting of MutS and beta-galactosidase
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The protein folding problem: global optimization of force fields
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Lipid-protein interactions in membranes: a molecular modelling study
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Electrosynthesis of potato starch–whey protein isolate complexes
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A bifunctional chimeric protein consisting of MutS and beta-galactoside
PublicationPraca pokazuje konstrukcję DNA plazmidowego kodującego bifunkcjonalne białko chimeryczne złożone z MutS Thermus thermophilus i beta-galaktozydazy E.coli, optymalizację jego ekspresji i oczyszczania. Białko to testowano w metodzie wykrywania mutacji punktowych, wykorzystując kolorymetryczne mierzenie aktywności domeny reporterowej beta galaktozydazy.
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Effect of increased protein intake on the risk of female infertility
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The SERRATE protein is involved in alternative splicing in Arabidopsis thaliana
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The SERRATE protein is involved in alternative splicing in Arabidopsis thaliana
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Simulation of fluid structure interaction in a novel design of high pressure axial piston pump
PublicationA novel type of an axial, piston-driven high pressure hydraulic pump with variable capacity marks a significant improvement in the area of the hydraulic machinery design. Total discharge from hydrostatic forces eliminates a need for a servomechanism, thus simplifying operation, reducing weight and introducing the possibility of the pump displacement control by computer. PWK-type pumps, invented in the Gdansk University of Technology,...
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STRUCTURE
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Modeling the Effects of Slowly Biodegradable Substrate at Large WWTP in Northern Poland
PublicationThe essential study was divided into two parts: experimental investigation and mathematical modeling using special platform to computer simulations. In the first part of research an innovative measurement procedure for an indirect determination of the effect of biodegradable particulate and colloidal Xs substrate was developed and implemented. The results of laboratory tests were used futher to verify the mechanism of the hydrolysis...
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Overview of Fading Channel Modeling
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Shipyard Crane Modeling Methods
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Usability of UML modeling tools
PublicationNarzędzia wspomagające modelowanie w UML pełnią istotną rolę w procesie wytwarzania i utrzymania oprogramowania. Badanie użyteczności tych narzędzi ma na celu poprawę produktywności oraz satysfakcji z ich użytkowania. W referacie zaprezentowano badania użyteczności za pomocą trzech metod: eksperymentalnego testowania efektywności, zapytań o aspekty użyteczności testowanych narzędzi oraz analitycznej metody GOMS (ang. Goals, Operators,...
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Modeling of the denture’s elastic base
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Reliable Networks Design and Modeling
PublicationSłowo wstępne numeru specjalnego czasopisma Telecommunication Systems Journal
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Design and modeling of reliable networks
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Modeling Volunteer Based Systems
PublicationThere are two main approaches to processing tasks requiring high amounts of computational power. One approach is using clusters of mostly identical hardware, placed in dedicated locations [1, 2, 3]. The other approach is outsourcing computing resources from large numbers of volunteers connected to the Internet [7]. This chapter presents an application of a mathematical model of the volunteer computing presented in Volume 1 of this...
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Comparison of soil models in the thermodynamic analysis of a submarine pipeline buried in seabed sediments
PublicationThis paper deals with mathematical modelling of a seabed layer in the thermodynamic analysis of a submarine pipeline buried in seabed sediments. The existing seabed soil models: a “soil ring” and a semi-infinite soil layer are discussed in a comparative analysis of the shape factor of a surrounding soil layer. The meaning of differences in the heat transfer coefficient of a soil layer is illustrated based on a computational example...
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Parameters’ Identification of Perzyna and Chaboche Viscoplastic Models for Aluminum Alloy at Temperature of 120◦C
PublicationThe main purpose of this paper is the parameters identification of the Perzyna and the Chaboche models for the aluminum alloy at elevated temperature. The additional purpose is comparison of the results for these viscoplastic models. The results have been verified by the numerical simulation of the laboratory tests. The material parameters have been calculated on the basis of the uniaxial tension test. The determination of the...
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A survey of automatic speech recognition deep models performance for Polish medical terms
PublicationAmong the numerous applications of speech-to-text technology is the support of documentation created by medical personnel. There are many available speech recognition systems for doctors. Their effectiveness in languages such as Polish should be verified. In connection with our project in this field, we decided to check how well the popular speech recognition systems work, employing models trained for the general Polish language....
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Ultrasound-assisted deep eutectic solvent-based liquid–liquid microextraction for simultaneous determination of Ni (II) and Zn (II) in food samples
PublicationA new approach was developed for the simultaneous pre-concentration and determination of Ni (II) and Zn (II) in food samples. This method is based on ultrasound-assisted liquid–liquid micro extraction using hydrophobic deep eutectic solvent (DES) and 1,10-phenanthroline as chelating agent. The effect of several parameters, such as pH, selection and volume of DES, amount of chelating agent, time of sonication and centrifugation,...
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Category-Based Workload Modeling for Hardware Load Prediction in Heterogeneous IaaS Cloud
PublicationThe paper presents a method of hardware load prediction using workload models based on application categories and high-level characteristics. Application of the method to the problem of optimization of virtual machine scheduling in a heterogeneous Infrastructure as a Service (IaaS) computing cloud is described.
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Comparative Study on Assisted Solvent Extraction Techniques for the Extraction of Biologically Active Compounds from Sideritis raeseri and Sideritis scardica
PublicationThe plants in the Sideritis genus are postulated to exhibit several important medicinal properties due to their unique chemical composition. To isolate the targeted phytochemical compounds, the selection of a suitable extraction method is of primary importance. In this work, a comparative study on the phytochemical profiles of various Sideritis raeseri and Sideritis scardica extracts has been carried out. An untargeted metabolomics...
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Influence of Processing Conditions on Crystal Structure of Bi6Fe2Ti3O18 Ceramics
PublicationAim of the present research was to apply a solid state reaction route to fabricate Aurivillius-type ceramics described with the formula Bi6Fe2Ti3O18 (BFTO) and reveal the influence of processing conditions on its crystal structure. Pressureless sintering in ambient air was employed and the sintering temperatures were 850 and 1080 °C. It was found that the fabricated BFTO ceramics were multiphase ones. They consisted of two Bim+1Fem-3Ti3O3m+3...
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Gas hold up and time dependent slurry viscosity during the the precipitation of fine grained silicon dioxide particles.
PublicationBadano zmiany stopnia zatrzymania gazu i lepkości zawiesiny podczas precypitacji dwutlenku krzemu z krzemianu sodowego za pomocą dwutlenku w reaktorze airlift z wewnętrzną cyrkulacją. Badano wpływ parametrów procesowych na akumulację mikropęcherzy w zawiesinie.
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The evolving structure of Polish exports (1994-2010) - diversification of products and trade partners.
PublicationThis paper presents empirical evidence on the diversification process concerning Polish exports (1994–2010), compared to European and global samples of countries. It analyzes both the commodity structure of Polish trade and the geographical diversification of Poland’s trading partners. The analysis draws on highly disaggregated data on exports (HS 6 digit) and combines descriptive analysis with non-parametric, semi-parametric and...
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Nonlocal models Nonlocal Models of Plates and Shells with Applications in Micro- and Nanomechanics
ProjectsProject realized in Department of Mechanics of Materials and Structures according to 00000000000 agreement from 2019-10-01
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Morphology, surface properties and photocatalytic activity of the bismuth oxyhalides semiconductors prepared by ionic liquid assisted solvothermal method
PublicationThis is the first report of the effect of the ILs cation type (imidazolium, pyridinium and pyrrolidinium) on the morphology, surface properties and photoactivity of BiOX semiconductors type obtained by solvothermal method in glycerol. The various ionic liquids (IL) cation type as a halogen source and templating agent for the synthesis of the bismuth oxyhalides nanoparticles has been systematically investigated. The role of ILs...
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Simple SIR models with Markovian control
PublicationWe consider a random dynamical system, where the deterministic dynamics are driven by a finite-state space Markov chain. We provide a comprehensive introduction to the required mathematical apparatus and then turn to a special focus on the susceptible-infected-recovered epidemiological model with random steering. Through simulations we visualize the behaviour of the system and the effect of the high-frequency limit of the driving...
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Knowledge-based models of the organization transformation
PublicationW artykule omówiono zastosowanie modeli opartych na wiedzy do wspomagania transformacji organizacji. Organizacje wytwarzające systemy informatyczne mogą wykorzystywać modele oparte na wiedzy (do gromadzenia danych o procesach transformacji i wspomagać te procesy) w procesach zmian zgodnych ze standardami CMMI. W artykule omówiono metody modelowania i wytwarzania takich baz jak również wskazano na ich przydatność dla zróżnicowanych...
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Macroscopic models for quantum systems and computers
PublicationOpisano układy makroskopowe realizujące dwubitowe operacje kwantowe.
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Review of road safety theories and models
PublicationW artykule przedstawiono rozwój teorii i modeli stosowanych w badaniach bezpieczeństwa ruchu drogowego oraz wykorzystywanych w zarzadzaniu bezpieczeństwem ruchu drogowego. Wyrózniono cztery grupy najbardziej rozwiniętych teorii: teorie statystyczne, teorie przyczynowe, teorie systemowe i teorie behawioralne. Według tak podzielonych teorii sklasyfikowano modele stosowane w badaniach i analizach bezpieczeństwa ruchu drogowego.
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Fractional Order Models of Dynamic Systems
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