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Search results for: PROTEIN–STRUCTURE PREDICTION.
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Nutritional value, protein and peptide composition of edible cricket powders
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Quantitative determination of mechanical stability in the novel coronavirus spike protein
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Software tools for identification, visualization and analysis of protein tunnels and channels
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C-reactive Protein as a Diagnostic and Prognostic Factor of Endometrial Cancer
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C-reactive protein as a diagnostic and prognostic factor of endometrial cancer
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Structural Analysis of a Peptide Fragment of Transmembrane Transporter Protein Bilitranslocase
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Delay induced oscillations in gene expression of Hes1 protein model
PublicationW pracy został omówiony model produkcji białka Hes1. Stężenie Hes1 jest kontrolowane przez ujemne sprzężenie zwrotne wbudowane w białko i jego mRNA. Przeprowadzona analiza potwierdziła znane wyniki numeryczne, że oscylacje wywołane są przez opóźnienie. Pokazaliśmy również, że jeśli współczynnik Hilla jest większy niż 1, to istnieje krytyczna wartość opóźnienia, dla której ma miejsce bifurkacja Hopfa i pojawiają się rozwiązania...
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A structure and design of a novel compact UWB MIMO antenna
PublicationIn the paper, a concept and design procedure of a novel compact MIMO slot antenna is presented. In order to achieve a better filling of available space, individual antennas are constrained to a triangular shape and optimized for a reduced size. The MIMO structure is then assembled using the two of previously designed antennas in orthogonal arrangement. Surrogate-assisted numerical optimization involving variable-fidelity electromagnetic...
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Coupling coefficients for the space group of the hexagonal close-packed structure
PublicationWe have computed the Clebsch-Gordan coefficients of the representations for the space group of the hexagonal close-packed structure for the points:V, A, H, K, L, M. We enumerate all arms of the wave vector stars and all wave vector selection rules.
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Effect of Different Structure Type Traffic On Railway Line Capacity
PublicationThe article points to methods of analyzing railway traffic conditions based on two parameters: capacity and delay of trains. The impact of the differentiated railway type structure on the capacity of the railway line was presented. Particular attention has been paid to the assessment of commonly used simplifications in analyzes.
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Effects of V2O5 Additive on Structure and Dielectric Properties of BiNbO4 Ceramics
PublicationGoal of the present research was to investigate the influence of V2O5 additive on the structure and dielectric properties of BiNbO4 ceramics. To fabricate BiNbO4 ceramics with V2O5 added the solid state reaction route and pressureless sintering was utilized. Thus obtained ceramics was characterized in terms of its microstructure (SEM), chemical composition (EDS), phase composition and crystalline structure (X-ray phase and structural...
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Prediction of Bioactive Peptides From Chicken Feather and Pig Hair Keratins Using In Silico Analysis Based on Fragmentomic Approach
PublicationBackground: Keratin is among the most abundant structural proteins of animal origin, however it remains broadly underutilized. Objective: Bioinformatic investigation was performed to evaluate selected keratins originating from mass-produced waste products, i.e., chicken feathers and pig hair, as potential sources of bioactive peptides. Methods: Pepsin, trypsin, chymotrypsin, papain, and subtilisin were used for in silico keratinolysis...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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Strength analysis of the support structure of the offshore wind turbine
PublicationThe global power demand from renewable sources is growing. One of a very favorable solution which meets severe environmental protection requirements are the offshore wind turbines. The offshore wind energy sector has experienced very fast development over last decade. Offshore wind farms, in comparison with onshore applications, can provide increased efficiency with reduced noise, visual, transportation and installation con-flicts....
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Specification-Oriented Automatic Design of Topologically Agnostic Antenna Structure
PublicationDesign of antennas for modern applications is a challenging task that combines cognition-driven development of topology intertwined with tuning of its parameters using rigorous numerical optimization. However, the process can be streamlined by neglecting the engineering insight in favor of automatic de-termination of structure geometry. In this work, a specification-oriented design of topologically agnostic antenna is considered....
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Novel Structure and EM-Driven Design of Small UWB Monopole Antenna
PublicationA novel structure of a small UWB monopole antenna is presented. In our approach, a compact size is achieved by means of a meander line for current path enlargement as well as the two parameterized slits that introduce additional degrees of freedom helping to ensure good impedance matching. The antenna design is carried out using surrogate-based optimization involving variable-fidelity EM simulations. This allows us to simultaneously...
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Single and Series of Multi-valued Decision Diagrams in Representation of Structure Function
PublicationStructure function, which defines dependency of performance of the system on performance of its components, is a key part of system description in reliability analysis. In this paper, we compare two approaches for representation of the structure function. The first one is based on use of a single Multi-valued Decision Diagram (MDD) and the second on use of a series of MDDs. The obtained results indicate that the series of MDDs...
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The influence of small intestinal mucus structure on particle transport ex vivo
PublicationMucus provides a barrier to bacteria and toxins while allowing nutrient absorption and waste transport. Unlike colonic mucus, small intestinal mucus structure is poorly understood. This study aimed to provide evidence for a continuous, structured mucus layer and assess the diffusion of different sized particles through it. Mucus structure was assessed by histology and immunohistochemistry. Ultra-structure was assessed by scanning...
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Prediction of metal deformation due to line heating; an alternative method of mechanical bending, based on artificial neural network approach
PublicationLine heating is one of the alternative methods of forming metals and this kind of forming uses the heating torch as a source of heat input. During the process, many parameters are considered like the size of the substrate, thickness, cooling method, source power intensity, the travel speed of the power source, the sequence of heating, and so on. It is important to analyze the factors affecting the...
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Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in water at various temperatures
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Validation study on a new semi-empirical method for the prediction of added resistance in waves of arbitrary heading in analyzing ship speed trial results
PublicationThis paper describes an open and extensive validation study carried out by the Specialist Committee on Ships in Operation at Sea (SOS) of the International Towing Tank Conference (ITTC) on the newly developed SHOPERA-NTUA-NTU-MARIC (SNNM) wave-added resistance prediction method. The SNNM method aims at a simple, fast and transparent determination of the added resistance in regular waves of arbitrary encounter directions, even when...
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...
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Quality of Service in ASON/GMPLS Network with Hierarchical Control Plane Structure
PublicationThe paper presents the problem of quality of service for hierarchical control plane structure of Automatically Switched Optical Network (ASON) utilizing Generalized Multi-Protocol Label Switching (GMPLS). The approach is implemented to control the multidomain network with required quality of service, in a use case of incomplete domain network information. The authors examine different factors, including resource reservation algorithms...
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Physical properties and electronic structure of La3Co and La3Ni intermetallic superconductors
PublicationLa3Co and La3Ni are reported superconductors with transition temperatures of 4.5 and 6 K, respectively. Here, we reinvestigate the physical properties of these two intermetallic compounds with magnetic susceptibility χ, specific heat Cp and electrical resistivity ρ measurements down to 1.9 K. Although bulk superconductivity is confirmed in La3Co, as observed previously, only a trace of it is found in La3Ni, indicating that the...
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Superconductivity in a new intermetallic structure type based on endohedral Ta@Ir7Ge4 clusters
PublicationWe report the observation of superconductivity at a temperature near 3.5 K for the previously unreported compound TaIr2Ge2. In addition to being a superconductor, this material displays a new crystal structure type that contains endohedral clusters, as determined by single-crystal x-ray diffraction structure refinement; the structure is more complex than those of the commonly observed tetragonal 122 intermetallic phases. Despite...
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THE CONCEPT OF MODELING OF SNOW IMPACT ON THE STRUCTURE OF THE SUSPENDED TAURON ARENA ROOF IN CRACOW
PublicationThe article presents studies and numerical simulations on modeling snow influence on TAURON ARENA suspended roof structure in Cracow. The scope of work includes experimental tests, functions solutions taking into account various cases of snow impact according to PN and EC, as well as numerical simulations for the sport and entertainment arena in the Czyzyny district. The FEM roof structure model developed in the SOFISITK software...
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Microsphere structure application for supercapacitor in situ temperature monitoring
PublicationConstant, real-time temperature monitoring of the supercapacitors for efficient energy usage is in high demand and seems to be crucial for further development of those elements. A fiber-optic sensor can be an effective optoelectronic device dedicated for in-situ temperature monitoring of supercapacitors. In this work, the application of the fiber-optic microstrucutre with thin zinc oxide (ZnO) coating fabricated in the atomic layer...
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Chromogenic azomacrocycles with imidazole residue: Structure vs. properties
PublicationNew diazo macrocycles linked by hydrocarbon chain bearing imidazole or 4-methylimidazole residue have been synthetized with satisfactory yield (24–55%). The structure of macrocycles was confirmed by X-ray analysis and spectroscopic methods (1H NMR, MS, FTIR). Metal cation complexation studies were carried out in acetonitrile and acetonitrile-water system. It was found that azomacrocyles form triple-decker complexes with lead(II)....
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An Analysis of Elliptical-Rectangular Patch Structure on Multilayer Elliptic Cylinders
PublicationThe resonance frequency problem of an ellipticalrectangular patch mounted on multilayered dielectric coated elliptic conducting cylinder, is investigated in this paper. A fullwave analysis and a moment-method calculation are employed. The analysis is carried out considering the expansion of the field as a series of Mathieu functions. An additional theorem for Mathieu functions is utilized to investigate the non-confocal ellipse...
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Interrelations between Travel Patterns and Urban Spatial Structure of the Largest Russian Cities
PublicationThe study presented within this dissertation involves the analysis of the relationship between urban spatial structure and travel patterns in the largest Russian cities. It is an empirical investigation of how the spatial structure, formed during the Soviet and post-Soviet periods, affects the travel patterns in the largest cities of contemporary Russia. It aims to determine what measures, both urban structure and transportation...
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublicationThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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efficient fractional delay hilbert transform filter in the farrow structure
PublicationIn this paper the design and application of a Fractional Delay Hilbert Transform Filter (FDHTF) into an adaptive sub-sample delay estimation between two separated sinusoidal signals is considered. The FDHTF incorporates the functions of Hilbertian and variable fractional delay filtering of the incoming signal simultaneously, in one stage. In traditional approach each of these operations was performed separately. Obtained value...
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Prediction of cast-in-place concrete strength of the extradosed bridge deck based on temperature monitoring and numerical simulations
PublicationThe work is devoted to the implementation of a monitoring system for high performance concrete embedded in the span of an extradosed bridge deck using a modified maturity method augmented by numerical simulations conducted by the authors’ FEM code. The paper presents all research stages of bridge construction and considers the conclusions drawn from the results of laboratory tests, field measurements, and numerical calculations....
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Effect of Bi2O3 Excess on Morphology and Structure of BiNbO4 Ceramics
PublicationGoal of the present research was to fabricate BiNbO4 ceramics from the mixture of powders by the solid state reaction route and pressureless sintering at various temperatures (TS =8700C and TS =9100C) and study microstructure, phase composition and crystalline structure of BiNbO4 ceramics. Four batches were fabricated and examined, namely the one fabricated from the stoichiometric mixture of reagent – grade oxide powders, viz....
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Application of a hybrid mechanistic/machine learning model for prediction of nitrous oxide (N2O) production in a nitrifying sequencing batch reactor
PublicationNitrous oxide (N2O) is a key parameter for evaluating the greenhouse gas emissions from wastewater treatment plants. In this study, a new method for predicting liquid N2O production during nitrification was developed based on a mechanistic model and machine learning (ML) algorithm. The mechanistic model was first used for simulation of two 15-day experimental trials in a nitrifying sequencing batch reactor. Then, model predictions...
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Performance Modeling and Prediction of Real Application Workload in a Volunteer-based System
PublicationThe goal of this paper is to present a model that predicts the real workload placed on a volunteer based system by an application, with incorporation of not only performance but also availability of volunteers. The application consists of multiple data packets that need to be processed. Knowing the computational workload demand of a single data packet we show how to estimate the application workload in a volunteer based system. Furthermore,...
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Numerical weather prediction - data fusion to GIS systems and potential applications
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Prediction of CO2 emissions of a car using the discrete map of the operating conditions
PublicationW pracy przedstawiono propozycję opisu warunków eksploatacji pojazdów w wybranej aglomeracji miejskiej z użyciem dyskretnej mapy warunków eksploatacji. Mapa taka umożliwia prognozowanie wybranych parametrów eksploatacyjnych pojazdów dla przyjętych dróg przejazdu oraz różnych jednostek napędowych. Głównymi parametrami wyznaczanymi z użyciem dyskretnej mapy warunków eksploatacji są: całkowita energia przeznaczana do napędu wybranego...
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Development of a Formability Prediction Model for Aluminium Sandwich Panels with Polymer Core
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Theoretical prediction of enthalpies and temperatures of sublimation of organochlorine compounds including pesticides
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Prediction of the stability during optimal control of the 3-wheel mobile platform
PublicationW pracy przedstawiono metodę badania stabilności sterowania optymalnego 3-kołową platformą mobilną podczas realizacji zadanej trajektorii ruchu. Badany robot posiada więzy nieholonomiczne. Model matematyczny robota 3-kołowego opisano za pomocą skończonej liczby nieliniowych równań różniczkowych. Stąd, prognozowanie ruchu takiego obiektu wymaga zastosowania efektywnych algorytmów.
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Data Sampling-Based Feature Selection Framework for Software Defect Prediction
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Artificial Neural Networks for Prediction of Antibacterial Activity in Series of Imidazole Derivatives
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The prediction method of the shear angle in the cutting zone during wood sawing
PublicationW artykule opisano metodę przewidywania kąta ścinania w strefie skrawania dla przypadku przecinania drewna. Kąt ścinania był określany z wykorzystaniem współczesnej mechaniki pękania. Nieliniowe równanie opisujące tą wielkość było rozwiązywane numerycznie za pomocą metody iteracyjnej Newton-Raphson. Otrzymane wyniki obliczeń wykazują możliwość rozszerzenia obszaru modelowania efektów energetycznych procesu przecinania drewna nawet...
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A method for the accurate numerical prediction of the tip vortices shed from hydrofoils
PublicationPraca przedstawia wyniki obliczeń numerycznych rozkładu wirowości i pól prędkości w przekrojach wirów wierzchołkowych generowanych przez płaty nośne. Obliczenia przeprowadzono przy pomocy nowej, wyspecjalizowanej metody dyskretyzacji obszaru przepływu. Rezultaty obliczeń porównano z wynikami pomiarów anemometrem laserowym za modelami płatów w tunelu kawitacyjnym. Porównanie to potwierdziło skuteczność nowej metody dyskretyzacji...
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Odour concentrations prediction based on odorants concentrations from biosolid emissions
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Adaptive prediction of stock exchange indices by state space wavelet networks
PublicationThe paper considers the forecasting of the Warsaw Stock Exchange price index WIG20 by applying a state space wavelet network model of the index price. The approach can be applied to the development of tools for predicting changes of other economic indicators, especially stock exchange indices. The paper presents a general state space wavelet network model and the underlying principles. The model is applied to produce one session...
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Prediction of the Biogenic Amines Index of Poultry Meat Using an Electronic Nose
PublicationThe biogenic amines index of fresh chicken meat samples during refrigerated storage was predicted based on the headspace analysis using an electronic nose equipped with an array of electrochemical sensors. The reference biogenic amines index values were obtained using dispersive liquid–liquid microextraction–gas chromatography–mass spectrometry. A prototype electronic nose with modular construction and a dedicated sample chamber...
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Foil capacitors relability prediction based on fluctuation and non-linear phenomena
PublicationPrzeanalizowano właściwości nieliniowe i zjawiska fluktuacyjne kondensatorów w celu wytypowania kryterium selekcji kondensatorów przeciwzakłóceniowych na grupy o różnej trwałości i niezwodności. Może to poprawić proces oceny jakości kondensatorów o podwyższonej niezawodności. Przedstawiono wybrane wyniki eksperymentalne pomiaru kondensatorów wytwarzanych przez ZR MIFLEX w Kutnie. Opisano rozwiązanie implementacji technik pomiaru...
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Accidental wow evaluation based on sinusoidal modeling and neural nets prediction
PublicationReferat przedstawia opis algorytmu do określenia charakterystyki zniekształcenia kołysania dźwięku. Prezentowane podejście wykorzystuje sinusoidalną analizę dźwięku bazującą zarówno na amplitudowym jak i fazowym widmie sygnału fonicznego. Trajektorie poszczególnych składowych tonalnych, obrazujące zniekształcenie kołysania, określane są na podstawie analizy ich chwilowych amplitud, częstotliwości i faz. Dodatkowo referat przedstawia...