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Wyniki wyszukiwania dla: PROTEIN-STRUCTURE MODELING, COARSE GRAINING, UNRES MODEL OF POLYPEPTIDE CHAINS, MOLECULAR DYNAMICS, DATA-ASSISTED SIMULATIONS
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Synthesis of Titanium Dioxide via Surfactant-Assisted Microwave Method for Photocatalytic and Dye-Sensitized Solar Cells Applications
PublikacjaIn this study, titania nanoparticles were obtained using the microwave-assisted technique. Moreover, different surfactants (PEG (Mn = 400), Pluronic P123 and Triton X−100) were used during the synthesis in order to determine their impact on the crystallinity and morphology of the final products. Subsequently, techniques such as XRD, SEM and TEM (performed in high contrast and high-resolution mode), diffuse reflectance spectroscopy...
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Design and modeling of the piezoelectric motor based on three resonance actuators
PublikacjaThis paper describes a piezoelectric motor which combines advantages from two existing piezoelectric motors topologies. The research work presents the design, simulations and measurements of the piezoelectric motor with three rotation-mode actuators. The aim of the project was to obtain the high speed piezoelectric motor. Other advantages of this conception are blocking torque, short response times, the ability to work in a hostile...
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Molecular Targets for Anticandidal Chemotherapy
PublikacjaA relatively small number of anticandidal chemotherapeutics used in clinical practice is at least in part consequence of a limited number of their molecular targets: ergosterol in the membrane, lanosterol demethylase, b(1!3) glucan synthase, and DNA/RNA biosynthesis. Much more potential novel targets have been revealed by the comparative genomic studies identifying essential genes unique for Candida albicans or resulted from recognition...
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Updating Finite Element Model of a Wind Turbine Blade Section Using Experimental Modal Analysis Results
PublikacjaThis paper presents selected results and aspects of themultidisciplinary and interdisciplinary research oriented for the experimental and numerical study of the structural dynamics of a bend-twist coupled full scale section of awind turbine blade structure.Themain goal of the conducted research is to validate finite elementmodel of themodified wind turbine blade section mounted in the flexible support structure accordingly to the...
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Urban Freight Transport Demand Modelling and Data Availability Constraints
PublikacjaThe paper provides a review of urban freight transport demand modelling approaches confronted with constrains regarding adequate data provision from a perspective of the local authorities. Demand estimation models has been selected as a reference because they are the most representative in terms of inclusion of urban freight indicators which can be transformed into a decision-support tool for evaluation of freight measures. The...
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One-Dimensional Modeling of Flows in Open Channels
PublikacjaIn this chapter, modeling of the unsteady open channel flow using one-dimensional approach is considered. As this question belongs to the well-known and standard problems of open channel hydraulic engineering, comprehensively presented and described in many books and publications, our attention is focused on some selected aspects only. As far as the numerical solution of the governing equations is considered, one can find out that...
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Biological Activity and Antibiofilm Molecular Profile of Citrus aurantium Essential Oil and Its Application in a Food Model
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The surface photoconductivity in molecular layers
PublikacjaW pracy przedstawiono rezultaty analizy fotoprądów powierzchniowych w cienkich warstwach tetracenu i pentacenu. W szczególności badano wpływ obecności defektów strukturalnych w warstwach na charakterystyki fotoprądów i transport nośników ładunku.
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Advanced Modeling of Management Processes in Information Technology
PublikacjaThis book deals with the issues of modeling management processes of information technology and IT projects while its core is the model of information technology management and its component models (contextual, local) describing initial processing and the maturity capsule as well as a decision-making system represented by a multi-level sequential model of IT technology selection, which acquires a fuzzy rule-based implementation...
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Simulation-Driven Antenna Modeling by Means of Response Features and Confined Domains of Reduced Dimensionality
PublikacjaIn recent years, the employment of full-wave electromagnetic (EM) simulation tools has become imperative in the antenna design mainly for reliability reasons. While the CPU cost of a single simulation is rarely an issue, the computational overhead associated with EM-driven tasks that require massive EM analyses may become a serious bottleneck. A widely used approach to lessen this cost is the employment of surrogate models, especially...
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Mesoscopic simulations of crack propagation in concrete using cohesive elements
PublikacjaThe paper presents results of two-and three-dimensional meso-scale simulations of fracture in notched concrete beams subjected to three-point bending test. Concrete was assumed as a 3-phase material composed of aggregate grains placed in the cement matrix with Interfacial Transitional Zones (ITZs) between then. In 2D simulations macro-voids were also taken into account. The particle distribution was taken from real concrete beams...
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Wideband Modeling of DC-DC Buck Converter with GaN Transistors
PublikacjaThe general wideband modeling method of the power converter is presented on the example of DC-DC buck converter with GaN High Electron Mobility Transistors (HEMT). The models of all basic and parasitic components are briefly described. The two methods of Printed Circuit Board (PCB) layout parameter extraction are presented. The results of simulation in Saber@Sketch simulation software and measurements are compared. Next, the model...
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Computational fluid dynamics - lustres and shadows.
PublikacjaThe paper is devoted to the different aspects of CFD. The advantages of this concept are evident and obvious; powerfuk and effective tools bring this technology closer to the quantifiable world. However, certain weaknesses in this structure are apparent. Sometimes, a simplistic tendency towards simplifications and facilitations may degenerate and lead to negative behaviours and signs. These have not been serious up to date, but...
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BIG PROBLEMS WITH BIG DATA
PublikacjaThe article presents an overview of the most important issues related to the phenomenon called big data. The characteristics of big data concerning the data itself and the data sources are presented. Then, the big data life cycle concept is formulated. The next sections focus on two big data technologies: MapReduce for big data processing and NoSQL databases for big data storage.
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Massive surveillance data processing with supercomputing cluster
PublikacjaIn recent years, increasingly complex algorithms for automated analysis of surveillance data are being developed. The rapid growth in the number of monitoring installations and higher expectations of the quality parameters of the captured data result in an enormous computational cost of analyzing the massive volume of data. In this paper a new model of online processing of surveillance data streams is proposed, which assumes the...
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Fast multi-objective optimization of antenna structures by means of data-driven surrogates and dimensionality reduction
PublikacjaDesign of contemporary antenna structures needs to account for several and often conflicting objectives. These are pertinent to both electrical and field properties of the antenna but also its geometry (e.g., footprint minimization). For practical reasons, especially to facilitate efficient optimization, single-objective formulations are most often employed, through either a priori preference articulation, objective aggregation,...
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Beyond the helium buffer: 12C−2 rotational cooling in cold traps with H2 as a partner gas: interaction forces and quantum dynamics
Publikacjaabstract = { The scattering cross-sections and corresponding rate coefficients for rotationally inelastic collisions of $^{12}$C$_2$^-$ ($^2 \Sigma_g^+$) with H$_2$ ($^1 \Sigma_g^+$) are presented over a broad range of cold-trap temperatures. They have been calculated using quantum scattering theory that employs a new ab initio potential energy surface. The rate coefficients for the inelastic processes in the anionic partner are...
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New patterns in the position of CEE countries in global value chains: functional specialisation approach
PublikacjaResearch background: High servitisation of manufacturing makes it impossible to separate services from manufactured goods properly, which implies difficulties in the assessment of the position of the country on the smile curve, i.e. in the proper assignment of products or services to one of the industrial process steps: pre-production, pure fabrication or post-production services. Therefore, we propose to use the business functions...
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Modeling of the Two-Dimensional Flow Caused by Sea Conditions and Wind Stresses on the Example of Dead Vistula
PublikacjaThe article presents the results of two-dimensional modeling of flows caused by the sea conditions and wind stresses on the example of Dead Vistula. Based on the available bathymetric data, a numerical model of the river section was created, which was supplemented with data on the position of the water table depending on hydrometeorological conditions. To describe the flow field in steady conditions, a simplified model of two-dimensional...
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Software Modeling from the Perspective of Intuitive Information Processing
PublikacjaThere is psychological evidence that humans process information not only consciously but also intuitively. Intuitive information processing is present also during the activities related to software modeling. The goal of this paper is to analyze software modeling from the perspective of theories which describe intuitive (nonconscious, implicit) information processing. The paper includes presentation of relevant psychological theories,...
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Some Optimization Methods for Simulations in Volunteer and Grid Systems
PublikacjaIn this chapter, some optimization methods have been presented for improving performance of simulations in the volunteer and grid computing system called Comcute. Some issues related to the cloud computing can be solved by presented approaches as well as the Comcute platform can be used to simulate execution of expensive and energy consuming long-term tasks in the cloud environment. In particular, evolutionary algorithms as well...
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Prediction of flow boiling heat transfer data for R134a, R600a and R290 in minichannels
PublikacjaIn the paper presented is the analysis of the results of calculations using a model to predict flow boiling of refrigerants such as R134a, R600a and R290. The latter two fluids were not used in development of model semiempirical correction. For that reason the model was verified with present experimental data. The experimental research was conducted for a full range of quality variation and a relatively wide range of mass velocity....
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Discrete-Element bonded particle Sea Ice model DESIgn, version 1.3 – model description and implementation
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Data on LEGO sets release dates and worldwide retail prices combined with aftermarket transaction prices in Poland between June 2018 and June 2023
PublikacjaThe dataset contains LEGO bricks sets item count and pricing history for AI-based set pricing prediction. The data spans the timeframe from June 2018 to June 2023. The data was obtained from three sources: Brickset.com (LEGO sets retail prices, release dates, and IDs), Lego.com official web page (ID number of each set that was released by Lego, its retail prices, the current status of the set) and promoklocki.pl web page (the retail...
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A hybrid model of flooding of the ro-ro ships in damaged conditions
PublikacjaThe paper presents some results on investigations concerning development of a hybrid model for assessment of performance of the ro‐ro ships in damaged conditions. The model is devoted towards assessing the performance of the damaged ro‐ro ships at the preliminary stage of design. The key problems associated with preparing of such the model are associated with working out a method of assessment of the damaged roro ships performance,...
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Molecular Strategy for Survival at a Critical High Temperature in Eschierichia coli
PublikacjaThe molecular mechanism supporting survival at a critical high temperature (CHT) in Escherichia coli was investigated. Genome-wide screening with a single-gene knockout library provided a list of genes indispensable for growth at 47°C, called thermotolerant genes. Genes for which expression was affected by exposure to CHT were identified by DNA chip analysis. Unexpectedly, the former contents did not overlap with the latter except...
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Induction machine behavioral modeling for prediction of EMI propagation.
PublikacjaThis paper presents the results of wideband behavioral modeling of an induction machine (IM). The proposed solution enables modeling the IM differential- and common-mode impedance for a frequency range from 1 kHz to 10 MHz. Methods of parameter extraction are derived from the measured IM impedances. The developed models of 1.5 kW and 7.5 kW induction machines are designed using the Saber Sketch scheme editor and simulated in the...
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Imidazolidine-4-one derivatives in the search for novel chemosensitizers of Staphylococcus aureus MRSA: Synthesis, biological evaluation and molecular modeling studies
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Screening of potential inhibitors for COVID-19 main protease from phytoconstituents of Tectona grandis Linn: application of molecular modeling studies
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Heavy Duty Vehicle Fuel Consumption Modelling Based on Exploitation Data by Using Artificial Neural Networks
PublikacjaOne of the ways to improve the fuel economy of heavy duty trucks is to operate the combustion engine in its most efficient operating points. To do that, a mathematical model of the engine is required, which shows the relations between engine speed, torque and fuel consumption in transient states. In this paper, easy accessible exploitation data collected via CAN bus of the heavy duty truck were used to obtain a model of a diesel...
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Data on the identification of microsatellite markers in Eisenia fetida and Eisenia andrei
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Modeling the global atmospheric transport and deposition of mercury to the Great Lakes
PublikacjaMercury contamination in the Great Lakes continues to have important public health and wildlife ecotoxicology impacts, and atmospheric deposition is a significant ongoing loading pathway. The objective of this study was to estimate the amount and source-attribution for atmospheric mercury deposition to each lake, information needed to prioritize amelioration efforts. A new global, Eulerian version of the HYSPLIT-Hg model was used...
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Regulation of the First Committed Step in Lipopolysaccharide Biosynthesis Catalyzed by LpxC Requires the Essential Protein LapC (YejM) and HslVU Protease
PublikacjaWe previously showed that lipopolysaccharide (LPS) assembly requires the essential LapB protein to regulate FtsH-mediated proteolysis of LpxC protein that catalyzes the first committed step in the LPS synthesis. To further understand the essential function of LapB and its role in LpxC turnover, multicopy suppressors of ΔlapB revealed that overproduction of HslV protease subunit prevents its lethality by proteolytic degradation...
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Analysis of Validation and Simplification of Timber-Frame Structure Design Stage with PU-Foam Insulation
PublikacjaThe transition from experimental studies to the realm of numerical simulations is often necessary for further studies, but very difficult at the same time. This is especially the case for extended seismic analysis and earthquake-resistant design. This paper describes an approach to moving from the experimental testing of an elementary part of a wood-frame building structure to a numerical model, with the use of a commercial engineering...
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Automated anonymization of sensitive data on production unit
PublikacjaThe article presents an approach to data anonymization with the use of generally available tools. The focus is put on the practical aspects of using open-source tools in conjunction with programming libraries provided by suppliers of industrial control systems. This universal approach shows the possibilities of using various operating systems as a platform for process data anonymization. An additional advantage of the described...
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Identification of ship’s hull mathematical model with numerical methods
PublikacjaThe modern maritime industry is moving toward the development of technology that will allow for full or partial autonomy of ship operation. This innovation places high demands on ship performance prediction techniques at the design stage. The researchwork presented in the article is related to the design stage of the ship and concerns methods for prognosis and evaluation of the specific operational condition of the ship, namely...
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Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains
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Wild oscillations in a nonlinear neuron model with resets: (II) Mixed-mode oscillations
PublikacjaThis work continues the analysis of complex dynamics in a class of bidimensional nonlinear hybrid dynamical systems with resets modeling neuronal voltage dynamics with adaptation and spike emission. We show that these models can generically display a form of mixed-mode oscillations (MMOs), which are trajectories featuring an alternation of small oscillations with spikes or bursts (multiple consecutive spikes). The mechanism by...
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Early Stages of RNA-Mediated Conversion of Human Prions
PublikacjaPrion diseases are characterized by the conversion of prion proteins from a PrPC fold into a disease-causing PrPSC form that is self-replicating. A possible agent to trigger this conversion is polyadenosine RNA, but both mechanism and pathways of the conversion are poorly understood. Using coarse-grained molecular dynamic simulations we study the time evolution of PrPC over 600 μs. We find that both the D178N mutation and interacting...
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The Use of Satellite Data to Determine the Changes of Hydrodynamic Parameters in the Gulf of Gdańsk via EcoFish Model
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New model simulations of the global atmospheric electric circuit driven by thunderstorms and electrified shower clouds: The roles of lightning and sprites
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Computational simulations of concrete behaviour under dynamic conditions using elasto-visco-plastic model with non-local softening
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Improved Efficacy Behavioral Modeling of Microwave Circuits through Dimensionality Reduction and Fast Global Sensitivity Analysis
PublikacjaBehavioral models have garnered significant interest in the realm of high-frequency electronics. Their primary function is to substitute costly computational tools, notably electromagnetic (EM) analysis, for repetitive evaluations of the structure under consideration. These evaluations are often necessary for tasks like parameter tuning, statistical analysis, or multi-criterial design. However, constructing reliable surrogate models...
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The hydration properties of protein stabilizer, trimethylamine-N-oxide in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 and 308.15 K
PublikacjaApparent molar volumes and apparent molar isentropic compressions of the protein stabilizer, trimethylamine-N-oxide (TMAO) were determined from the densities and speed of sound measured at T = (288.15, 298.15 and 308.15) K in aqueous solutions of N-methylacetamide (NMA) at four different concentrations (2, 4, 6 and 8 mol/kg). The concentration dependencies of the calculated quantities extrapolated to the infinite dilution lead...
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Circular saw vibrations or dynamics of the spindle
PublikacjaSawing of wood with circular saws is a typical example of cutting with multi-blade tools. In that kind of cutting, theposition accuracy of following tool blades is a crucial factor which affects the cutting process and machining final effects.Position tooth errors may cause deterioration in cutting conditions, changes in loads of individual teeth and the tool as a whole,and also a decrease in accuracy and surface quality after...
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Active management of equipment cooling in hoteling data centers
PublikacjaHoteling data centers are designated for housing computing and storage units of many, usually small customers, as opposed to traditional data centers supporting own computing and storage resources of a bigger company. One of the services to be provided to consumer’s equipment is cooling. Cooling in data centers is prevalently achieved by circulating air in computer room. Efficient cooling requires delivering cold air from central...
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The Protein Folding Problem
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A Numerical Model Study on Ice Boom in a Coastal Lake
PublikacjaA numerical study on the effectiveness of the proposed ice boom to be installed near the entrance of Lake Notoro, Hokkaido, Japan to prevent sea ice moving into the lake is presented. A two-dimensional hydro–ice dynamics model was modified to allow for the treatment of ice-boom interaction with the effect of tidal current. The numerical model is a coupled hydrodynamic and ice dynamic model. The ice dynamic component uses a Lagrangian...
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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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The impact of China’s One-Belt One-Road initiative on international trade and global value chains
PublikacjaThis study examines the potential effects of China’s ‘One-Belt One-Road’initiative (OBOR) on trade flows and global value chain (GVC) connections.The empirical analysis is based on the augmented trade gravity model, which comprises 186 economies and 199 of their partners from 2000 to 2018. We also estimate the gravity model for involvement in GVC (domestic value added in intermediate exports, foreign value added in exports, and...