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Search results for: PROTEIN–STRUCTURE PREDICTION.
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FE simulations of a soil structure interface.
PublicationPrzedstawiono warunki brzegowe do opisu szorstkości ściany konstrukcji w kontakcie z gruntem. Wykonano doświadczenia i symulacje MES na bazie mikropolarnego prawa hipoplastycznego.
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublicationAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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Damaged plasticity model - seismic analysis of structure of the Petronas Twin Towers (Kuala Lumpur) in Malaysia
PublicationThe article presents numerical simulations for the modelling of seismic impact on the structure of Petronas Twin Towers (Kuala Lumpur) in Malaysia with application of two methods. The Response Spectrum method, in which a spectrum of the structure's responses to an earthquake's impact is generated and the Acceletogram (BETA) method, in which we generate dynamic load in the form of a diagram of the connection between acceleration...
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Effect of Individual Components of Lignocellulosic Biomass on Methane Production and Methanogen Community Structure
PublicationOne of the major factors that influences the economic feasibility of biogas production is the availability of digestible feedstocks. There is little research on the influence of the chemical composition of biomass on biogas synthesis, especially with regard to the content of lignocellulosic materials. Therefore, the aim of this study was to estimate how differences in the content of cellulose and lignin in lignocellulosic biomass...
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The Spatial Structure of Suburban Zones in Selected Entrepreneurship Nets of the Tricity Metropolitan Area
PublicationThe chapter describes spatial structures and forms of Polish suburban zones shown on the example of two selected towns in the Trojmiasto Metropolitan Area (TMA). The description of the spatial characteristics in the urban sprawl, with focus on the entrepreneurships nests is illustrated by the choice of typological features, such as: form, land use, density. Suburbanisation is described to be global, however one can observe individual...
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Seasonal variability and morphological structure of bacteria in the Admiralty Bay (King George Island, Antarctic).
PublicationIntroduction: The aim of investigations was to state whether melting glaciers cause mass mortality of the sea stenohalyne organisms, what in consequence can lead to an increase of accumulation and growth of psychrophilic bacteria. It may be also that fresh melting water is unfavourable to the sea bacteria and front glacier's regions are not the areas of their intensive development. Methods: Field investigations were done in Admiralty...
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The structure of lead-silicate glasses containing nanocrystallites of iron oxides
Open Research DataThe structure of iron-doped glasses and glass-ceramics were studied. Samples has the composition of (50 − 0.5x)SiO2–(50 − 0.5x)PbO–xFe2O3, where x = 2, 5, 10, 15, 20 and 25 (in mol%). All samples were prepared by the conventional melt quenching technique; the melting was conducted in air at 1623 K in alumina crucibles. The melts were poured on a brass...
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Improving Output Performance of the Ultrasonic Multicell Piezoelectric Motor by Development the Multi-Rotor Structure
PublicationIn recent years, many researches have been carried out on piezoelectric multi-rotor structures. This paper describes the analysis, development and experimental process of an ultrasonic multi-cell piezoelectric motor using a multi-rotor structure. In this design, three independent cells have been integrated into a mechatronic system. Analytical model and finite element method are used for modal and dynamic analysis of the proposed...
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Structure of the register of immovable monuments in terms of the number of monuments by voivodeship – comparison of 2003 and 2024
Open Research DataThe following dataset compares the structure of the register of immovable monuments in Poland regarding the number of monuments by voivodeship for 2003 and 2024. During these years, the number of monuments increased by more than 16,000.
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Market Price Prediction of Property Rights from Gas Fired Plants or Plants with Total Installed CHP Source Capacity Below 1 MW until 2025
PublicationThe resolution on the Polish Energy Policy until 2030 (PEP-30) was adopted by the Council of Ministers on 10 November 2009. The document specifies the combined electricity and heat generation as a direction of pursuing the goals of energy efficiency, fuel and energy supply security, competitive fuel and energy markets development, and reduction of the energy sector’s environmental impact. PEP-30 assumes that electricity generation...
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Analysis of pavement structure sensitivity to passage of oversized heavy duty vehicle in terms of bearing capacity
PublicationOversized heavy duty vehicles occur in traffic very rarely but they reach extremely high weights, even up to 800 tonne. The detrimental impact of these vehicles on pavement structure is much higher than in case of commercial vehicles that comprise typical traffic, thus it is necessary to assess the sensitivity of pavement structure to passage of oversized vehicles. The paper presents results of sample calculations of load equivalency factor...
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The structure of lead-borate glasses containing nanocrystallites of iron oxides
Open Research DataThe structure of iron-doped glasses and glass-ceramics were studied. Glass samples of composition of xFe2O3–(100 − x)(B2O3–2PbO) (2.5 b x b 37, in mol%) were prepared by the conventional melt quenching technique. The melting was conducted in alumina crucibles at the temperature of 1523 K. The melts were poured on a preheated (573 K) brass plate and...
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Is the Identification of SNP-miRNA Interactions Supporting the Prediction of Human Lymphocyte Transcriptional Radiation Responses?
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Prediction of Early Childhood Caries Based on Single Nucleotide Polymorphisms Using Neural Networks
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Prediction of the Segmental Pelvic Ring Fractures Under Impact Loadings During Car Crash
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Machine Learning Methods in Damage Prediction of Masonry Development Exposed to the Industrial Environment of Mines
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Prediction of Peptide Retention at Different HPLC Conditions from Multiple Linear Regression Models
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Artificial Neural Network (ANN)-Based Voltage Stability Prediction of Test Microgrid Grid
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Prediction of flow boiling heat transfer coefficient for carbon dioxide in minichannels and conventional channels
PublicationIn the paper presented are the results of calculations using authors own model to predict heat transfer coefficient during flow boiling of carbon dioxide. The experimental data from various resea rches were collected. Calculations were conducted for a full range of quality variation and a wide range of mass velocity. The aim of the study was to test the sensitivity of the in-house model. The results show the importance of taking into...
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Prediction of the Mechanical Properties of P91 Steel by Means of Magneto-acoustic Emission and Acoustic Birefringence
PublicationThe paper describes an application of nondestructive volumetric magnetic and ultrasonic techniques for evaluation of the selected mechanical parameter variations of P91 steel having direct influence on its suitability for further use in critical components used in power plants. Two different types of deformation processes were carried out. First, a series of the P91 steel specimens was subjected to creep and second, one to plastic...
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Prediction of Sorption Processes Using the Deep Learning Methods (Long Short-Term Memory)
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Prediction of cutting forces during micro end milling considering chip thickness accumulation
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Prediction of corrosion fatigue crack propagation life for welded joints under cathodic potentials
PublicationPrzy ochronie katodowej poniżej potencjału optymalnego obserwuje się przyspieszenie propagacji pęknięcia korozyjno-zmęczeniowego w porównaniu do konstrukcji nie chronionej. Zaproponowano własną formułę empiryczną na wpływ potencjału ochronnego na prędkość propagacji pęknięcia oraz własny wzór na [delta]K w złączu pachwinowym. Wyprowadzono wzór na krzywą ''S-Np'' (naprężenie - długość okresu propagacji pęknięcia). Zaprezentowana...
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A prediction of the fault-induced instability of circuit under test as a new approach in categorisation of faults.
PublicationW artykule przedstawiono nowy sposób kategoryzacji uszkodzeń w analogowych układach elektronicznych. Zaproponowano kryterium oparte na predykcji niestabilności indukowanej przez uszkodzenie w testowanym układzie. Przyjeto, że granicą pomiędzy uszkodzeniem miękkim i katastroficznym jest najmniejsza odchyłka parametru elementu, która sprowadza układ testowany do granicy stabilności. Wzrost wartości odchyłki poza wyznaczony margines...
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Prediction of the fatigue lifetime of PUR structural elements using a combined experimental-numerical approach
PublicationThis paper presents a method for estimating the fatigue life of polyurethane elastomeric components. A rubber replacement - polyurethane of hardness 80ShA commonly used in vibration damping systems, for example, in motor vehicle suspensions, was used for the study. A metal-rubber bushing component was selected for analysis, and numerical analysis was carried out along with a fatigue model proposal based on a modification of the...
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New, fast and cheap prediction tests for BRCA1 gene mutations identification in clinical samples.
PublicationDespite significant progress in cancer therapy, cancer is still the second cause of mortality in the world. The necessity to make quick therapeutic decisions forces the development of procedures allowing to obtain a reliable result in a quick and unambiguous manner. Currently, detecting predictive mutations, including BRCA1, is the basis for effectively treating advanced breast cancer. Here, we present new insight on gene mutation...
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Vessel Energy Requirement Prediction from Acceleration Stage Towing Tests on Scale Models
PublicationOne of the most crucial tasks for naval architects is computing the energy required to meet the ship’s operational needs. When predicting a ship’s energy requirements, a series of hull resistance tests on a scale model vessel is carried out in constant speed stages, while the acceleration stage measurements are ignored. Another important factor in seakeeping analysis is the ship’s hydrodynamic added mass. The second law of dynamics...
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Ship weather routing optimization with dynamic constraints based on reliable synchronous roll prediction
PublicationShip routing process taking into account weather conditions is a constrained multi-objective optimization problem and it should consider various optimization criteria and constraints. Formulation of a stability-related, dynamic route optimization constraint is presented in this paper. One of the key objectives of a cross ocean sailing is finding a compromise between ship safety and economics of operation. This compromise should...
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Wind resource assessment and energy yield prediction for the small wind turbine on the Szubieniczne Hill
PublicationThe goal of this study is to preliminary assess the wind resources on the Szubieniczne Hill in order to predict the annual energy production for planned small wind turbine. The analyzed site is located close to the Gdańsk University of Technology campus, in complex urban environment additionally surrendered by forested hills. The assessment is based on Computational Fluid Dynamics simulations which allow to evaluate the wind energy potential...
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Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment
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Atomic resolution crystal structure of HV-BBI protease inhibitor from amphibian skin in complex with bovine trypsin
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Synthesis, structure and properties of novel poly(hydroxyurethane)s obtained by non-isocyanate route
PublicationNon-isocyanate polyurethanes (NIPUs) can be synthesized by polyaddition of five-membered bis(cyclic carbonate)s and primary diamines. NIPUs are an alternative for the commonly used (in the form of foams, elastomers, coatings or fibers) in the industry polyurethanes obtained using toxic and moisture sensitive diisocyanates, polyols and low-molecular weight chain extenders. The main aim of this work was to synthesize non-isocyanate...
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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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The structure of the data flow in integrated urban traffic management systems – the case of TRISTAR system
PublicationThe purpose of the article is to offer some insight into the data flow architecture in the Tri-City’s integrated traffic management system called TRISTAR. To that end selected elements of TRISTAR are identified and described as well as the structure for collecting and exchanging data within different sub-systems. Finally, the article highlights how the TRISTAR system can be extended by adding new elements and modules.
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The Effect of Calcination Temperature on Structure and Photocatalytic Properties of WO3/TiO2 Nanocomposites
PublicationSeries ofWO3/TiO2 nanocompositeswere obtained by hydrothermal method followed by calcination in the temperature range from 400∘C to 900∘C. The characteristics of photocatalysts by X-ray diffractometry (XRD), scanning electron microscope (SEM), and diffuse reflectance spectroscopy (DRS) showed that increasing the calcination temperature from 400 to 900∘C resulted in change of photocatalytic activity under UV-Vis light.Moreover,...
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Reduction of vibrations of steel structure models with Polymeric Bearings - experimental study
PublicationEarthquake-induced ground motions are the most severe and unpredictable threats to the structures all around the world. Therefore, designing earthquake protective systems has become an extremely challenging problem in civil engineering. Base isolation is one of the most popular and widely adopted methods of protecting structures against earthquake forces. The present paper reports the results obtained from the shaking table experimental...
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Hydrazinolysis Products of Selected Sugar Lactones—Crystal Structure and Microbiological Activity
PublicationCommercially available lactones, as well as those synthesized by us, turned out to be good substrates for the synthesis of sugar hydrazides. The exception was L-ascorbic acid, whose hydrazinolysis led to the formation of a hydrazinium salt, not the hydrazide as expected. The structure of all compounds was confirmed by NMR and X-ray analyses. The lower durability of hydrazinium L-ascorbate was additionally confirmed by thermogravimetric...
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Fibrosarcoma, NOS - Male, 57 - Tissue image [420073001206531]
Open Research DataThis is the histopathological image of CONNECTIVE, SUBCUTANEOUS AND OTHER SOFT TISSUES tissue sample obtained in Medical University Gdańsk and deposited in ZMDL-GUMED. The sample image was taken using: Pannoramic 250 3DHistech slide scanner (20x magnification) and saved to DICOM format.
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Experimental Tests Of Sandwich Beams In The Design Process Of GFRP Shell Footbridge Structure
PublicationThe paper includes selected aspects of the study to elaborate architectural, material and construction design of pedestrian footbridge spans made of composite materials. The considered footbridge is a sandwich-type shell structure. The cooperation of PET foam core with outer lining surfaces is crucial for its load bearing capacity. The paper is aimed to experimental investigation of sandwich beams subjected to bending loading....
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Analysis of Validation and Simplification of Timber-Frame Structure Design Stage with PU-Foam Insulation
PublicationThe 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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Eco-Friendly Ether and Ester-Urethane Prepolymer: Structure, Processing and Properties
PublicationThis study concerns bio-based urethane prepolymers. The relationship between the chemical structure and the thermal and processing parameters of bio-based isocyanate-terminated ether and ester-urethane prepolymers was investigated. Bio-based prepolymers were obtained with the use of bio-monomers such as bio-based diisocyanate, bio-based polyether polyol or polyester polyols. In addition to their composition, the bio-based prepolymers...
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BIOCHIMICA ET BIOPHYSICA ACTA-GENE STRUCTURE AND EXPRESSION
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Temperature-controlled nanomosaics of AuCu bimetallic structure towards smart light management
PublicationGold–copper nanostructures are promising in solar-driven processes because of their optical, photocatalytic and photoelectrochemical properties, especially those which result from the synergy between the two metals. Increasing interest in their internal structure, such as the composition or distribution of the Au and Cu as well as the size and shape of the nanoparticles, have developed to define their physicochemical properties. In...
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Crystal structure and low-energy Einstein mode in ErV2Al20 intermetallic cage compound
PublicationSingle crystals of a new ternary aluminide ErV2Al20 were grown using a self-flux method. The crystal structure was determined by powder X-ray diffraction measurements and Rietveld refinement, and physical properties were studied by means of electrical resistivity, magnetic susceptibility and specific heat measurements. These measurements reveal that ErV2Al20 is a Curie-Weiss paramagnet down to 1.95 K with an effective magnetic...
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Urban Railway within the Linear Urban Structure: the Case Study of Perm, Russia
PublicationThe paper analyses the ten years’ experience of Perm to develop its system of the urban train trying to reveal the reasons for its modest performance and decline in the passenger traffic. The authors show how the Urban Train fits within the city urban structure and eval uate the potential of the Urban Train to become a feasible solution to the problem of connecting the periphery with the city centre. Furthermore,...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtain during sounding of the Gdansk Bay by means of the parametric sonar. The accuracy of the sea bottom structure investigation needs the correct configuration of research equipment and the proper calibration of peripheral devices (GPS, heading sensor, motion sensor MRU-Z and navigation units) which provide necessary data to bathymetrical measurement system enabling its work with whole...
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Processing data on sea bottom structure obtained by means of the parametric sounding
PublicationThe aim of the paper is to analyze data obtained during sounding the Gdansk Bay sea bed by means of the parametric echo-sounder. The accuracy of the sea bottom structure investigation needs correct configuration of research equipment and proper calibration of peripheral devices (GPS, heading sensor, MRU-Z motion sensor and navigation instruments which provide necessary data to bathymetrical measurement system, enabling its work...
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A Data Driven Model for Predicting RNA-Protein Interactions based on Gradient Boosting Machine
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Patients with obstructive sleep apnea present with chronic upregulation of serum HIF-1α protein
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