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Search results for: PROTEIN–STRUCTURE PREDICTION.
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Formation of Protein Networks between Mucins: Molecular Dynamics Study Based on the Interaction Energy of the System
PublicationMolecular dynamics simulations have been performed for a model aqueous solution of mucin. As mucin is a central part of lubricin, a key component of synovial fluid, we investigate its ability to form cross-linked networks. Such network formation could be of major importance for the viscoelastic properties of the soft-matter system and crucial for understanding the lubrication mechanism in articular cartilage. Thus,the inter- and...
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Design of a Patch Power Divider with Simple Structure and Ultra-Broadband Harmonics Suppression
PublicationThis paper introduces a simple H-shaped patch Wilkinson power divider (WPD), which provides ultra wide harmonics suppression band. The presented WPD designed at 1.8 GHz, and exhibits good performance at the operating bandwidth. In the proposed divider structure, two simple patch low-pass filters (LPFs) are employed at each branch, and three open ended stubs are added at each port. The proposed divider, implemented using the aforementioned...
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Novel bio-based thermoplastic poly(ether-urethane)s. Correlations between the structure, processing and properties
PublicationThe main purpose of this work was to analyze the effect of the number of unreacted isocyanate groups and the [NCO]/[OH] molar ratio during the chain extension of a prepolymer during the polymerization process on the structure, processing and selected properties of thermoplastic poly(ether-urethane)s. Three series of novel thermoplastic polyurethanes were obtained via a prepolymer route. Three prepolymers were synthesized from diisocyanate...
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Structure-property relationships in peroxide-assisted blends of poly(ε-caprolactone) and poly(3-hydroxybutyrate)
PublicationPoly(ε-caprolactone) and poly(3-hydroxybutyrate) (PCL/PHB) blends in two weight ratios (75/25 and 50/50) were reactively compatibilized in the presence of di-(2-tert-butyl-peroxyisopropyl)-benzene and dicumyl peroxide as free radical initiators. Rheological, mechanical, thermal properties and morphological features, as well as the chemical structure of PCL/PHB blends were investigated. It was found that regardless of PCL/PHB blend...
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Improving Thermal Insulation Properties for Prefabricated Wall Components Made of Lightweight Aggregate Concrete with Open Structure
PublicationPorous concrete is commonly used in civil engineering due to its good thermal insulation properties in comparison with normal concrete and high compression strength in comparison with other building materials. An extremely porous concrete, called ‘lightweight aggregate concrete with open structure’ (LAC), is used in some German plants to produce prefabricated wall components. They are used mainly in hall buildings, e.g. supermarkets....
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Effect of Pendolino high-speed rail on the structure of buildings located the proximity of the railway tracks
PublicationThe following research focuses on the dynamic analysis of the impact of the high-speed train inducted vibrations on the structures located near railway tracks. The office complex chosen as the subject of calculations is located in the northern part of Poland, in Gdańsk, in the proximity of Pendolino, the high speed train route. The high speed trains are the response for the growing needs for more efficient railway system. However...
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Influence of controlled crystallization and SrF2 content on the structure and properties of Eu3+ doped phosphate glasses
PublicationNew phosphate glasses and glass-ceramics P2O5–Bi2O3–K2O–Nb2O5-SrF2 doped with Eu were synthesized and studied in this work. The influence of the SrF2 content (0–15 mol%) and the parameters of the heat treatment on their structural and optical properties were investigated. For the above purpose, the structural characterization by FTIR spectroscopy and XRD measurements was carried out, which showed a significant effect of SrF2 on...
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MARSTRUCT benchmark study on nonlinear FE simulation of an experiment of an indenter impact with a ship side-shell structure
PublicationThis paper presents a benchmark study on collision simulations that was initiated by the MARSTRUCT Virtual Institute. The objective was to compare assumptions, finite element models, modelling techniques and experiences between established researchers within the field. Fifteen research groups world-wide participated in the study. An experiment involving a rigid indenter penetrating a ship-like side structure was used as the case...
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Structure and optical parameters of Eu doped tellurium oxide thin films prepared by reactive magnetron sputtering method
PublicationIn this work the structural properties and photoluminescence of tellurium dioxide thin films doped by europium were described. Thin films were deposited by magnetron sputtering method and simultaneously heated at 200 °C. Presence of Eu ions and their valence states was confirmed by X-ray photoemission spectroscopy measurements. The structure of the films as well as the influence of europium dopant on crystalline structure of the...
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Multifaceted Analyses of Four Different Prototype Lightweight Photovoltaic Modules of Novel Structure
PublicationDynamic growth of photovoltaic capacity in Poland encourages many entities to invest in photovoltaic systems. However, in the case of buildings with low roof-bearing capacity it can be problematic or even impossible to mount conventional PV modules due to their relatively high weight. Hence, the use of lightweight PV modules is a potential solution. In this paper four different prototype silicon lightweight modules of novel structure...
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A model of stealth maritime object having some innovative solutions concerning the object form, structure and materials.
Open Research DataThe aim of the project is to work out a model of the stealth maritime object which will have innovative solutions concerning the object form, structure and materials. These solutions should enable a modification of combinations of the object features defining the object stealth characteristics (difficulty of the object detection in the water). It is...
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Numerical evaluation of dynamic response of an experimentally tested base-isolated and fixed-base steel structure model
PublicationSeismic isolation is recognized as one of the most popular and effective methods of protecting structures during earthquake. The present paper is focused on the comparison be-tween the dynamic responses of buildings with fixed and isolated bases exposed to seismic exci-tations. The aim of the study is to investigate the effectiveness of a simplified base isolation numerical modelling technique using the linear springs. One-storey...
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Mechanical Design, Construction and Control of a Lower Extremity Exoskeleton Robot Prototype with a new structure in the form of three-wheeled Mobile robot
PublicationIn this paper, mechanical design, dynamic modeling, construction and Fuzzy computed torque control of a lab prototype of lower extremity exoskeleton robot with a new structure in the form of three-wheeled Mobile robot is presented. One of the most important applications of next generation of lower extremity exoskeleton robot is usability as smart vehicle. In order to autonomously moving of this robot which is the foundation...
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Architecture of security and application layer structure of radio system for monitoring and acquisition of data from traffic enforcement cameras
PublicationThe study presents architecture of security and application layer structure of Radio System for Monitoring and Acquisition of Data from Traffic Enforcement Cameras. It also provides general assumptions concerning the range of the system as well as its modules and application components.
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High-conducting Bi4V2-xFexO11-δ ceramics containing Fe2O3 nanocrystals: Structure and properties
PublicationThe topography, structure, thermal, magnetic, and electrical properties of Bi4V2-xFexO11-δ ceramics substituted with x = 0.5 and 0.7 Fe were studied. The microscope analysis showed the presence of iron-rich nanocrystals formed on the Bi-Fe-V-O grains. The X-ray diffraction studies confirmed that grains are built mostly of tetragonal Bi4V1.5Fe0.5O10.5 phase. Thermal properties analysis showed an order-disorder type γ ↔ γʹ phase...
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Study on the Structure-Property Dependences of Rigid PUR-PIR Foams Obtained from Marine Biomass-Based Biopolyol
PublicationThe paper describes the preparation and characterization of rigid polyurethane-polyisocyanurate (PUR-PIR) foams obtained with biopolyol synthesized in the process of liquefaction of biomass from the Baltic Sea. The obtained foams differed in the content of biopolyol in polyol mixture (0–30 wt%) and the isocyanate index (IISO = 200, 250, and 300). The prepared foams were characterized in terms of processing parameters (processing...
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Structure of the register of immovable monuments in terms of the type of architectural 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 type of architectural monuments by voivodeship for 2003 and 2024. The dataset has been compiled based on the data in the Report analysing the state of immovable monuments (the report was prepared in 2004 based on data collected by provincial conservators...
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Effect of hydroxylated soybean oil and bio-based propanediol on the structure and thermal properties of synthesized bio-polyurethanes
PublicationThe aim of this work was to obtain bio-polyurethanes using synthetic compounds and bio-components, i.e. bio-glycols. Bio-polyurethanes were prepared by means of the prepolymer method. Prepolymers were synthesized from 4,4′-diphenylmethane diisocyanate (MDI) and a polyol mixture containing 75% by weight of commercial polyether and 25% by weight of hydroxylated soybean oils (H2 or H3), the latter being obtained in the reaction with...
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Structure of the register of immovable monuments by date of individual objects – comparison of 2017 and 2024
Open Research DataThe register of monuments is the primary form of monument protection. The register for monuments in the voivodeship is kept by the voivodeship conservator of monuments in the form of separate books for immovable (book A), movable (book B), and archaeological (book C) monuments. Entries in the register of monuments are made upon application by the owner...
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Green thermoplastic poly(ether-urethane)s – synthesis, chemical structure and selected properties investigation
PublicationThis work aimed to characterize the effect of the monomers chemical structure on the selected properties of the green thermoplastic poly(ether-urethane)s. During synthesis two types of polyether biopolyols, 4,4′-diphenylmethane diisocyanate and bio-based 1,3-propanediol were employed. Materials were synthesized with the use of two step method and two different prepolymers, which were mixed together in equimolar quantities. Obtained...
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Fe local structure in Pt-free nitrogen-modified carbon based electrocatalysts: XAFS study
PublicationThe paper presents a new results on the bonding environment (coordination number and geometry) and on oxidation states of Fe in nitrogen-modified Fe/C composites used as Pt-free catalysts for oxygen reduction in Direct Hydrogen Fuel Cells. Starting from glucose or fructose, two catalysts displaying different electrochemical performance were prepared and studied in the form of pristine powder and thin catalytic layer of electrode...
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Karaś P., Kochanowicz K., Pitek M., Domański P., Obuchowski I., Tomiczek B., Liberek K.: Evolution towards simplicity in bacterial small heat shock protein system// eLife -, (2023), s.1-21
PublicationEvolution can tinker with multi-protein machines and replace them with simpler single-protein systems performing equivalent functions in an equally efficient manner. It is unclear how, on a molecular level, such simplification can arise. With ancestral reconstruction and biochemical analysis, we have traced the evolution of bacterial small heat shock proteins (sHsp), which help to refold proteins from aggregates using either...
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Comparative Analysis of MicroRNA-Target Gene Interaction Prediction Algorithms Based on Integrated P-Value Calculation
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Solubility of sulfanilamide in binary solvents containing water: Measurements and prediction using Buchowski-Ksiazczak solubility model
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Comparative Analysis of microRNA-Target Gene Interaction Prediction Algorithms - The Attempt to Compare the Results of Three Algorithms
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Temperature-Based Prediction of Joint Hardness in TIG Welding of Inconel 600, 625 and 718 Nickel Superalloys
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Quantitative Soil Characterization for Biochar–Cd Adsorption: Machine Learning Prediction Models for Cd Transformation and Immobilization
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Short clinically-based prediction model to forecast transition to psychosis in individuals at clinical high risk state
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Impact of Feature Selection Methods on the Predictive Performance of Software Defect Prediction Models: An Extensive Empirical Study
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Principles for the Application of Vibration Intensity Scale for the Prediction and Assessment of Impact of Actions of Exploitation Mine on Buildings and People
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Experimental investigations and prediction of WEDMed surface of nitinol SMA using SinGAN and DenseNet deep learning model
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Plasma Amino Acids May Improve Prediction Accuracy of Cerebral Vasospasm after Aneurysmal Subarachnoid Haemorrhage
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Model Based Monitoring of Dynamic Loads and Remaining Useful Life Prediction in Rolling Mills and Heavy Machinery
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Prediction of Thymine Dimer Repair by Electron Transfer from Photoexcited 8-Aminoguanine or Its Deprotonated Anion
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Prediction of Wastewater Quality at a Wastewater Treatment Plant Inlet Using a System Based on Machine Learning Methods
PublicationOne of the important factors determining the biochemical processes in bioreactors is the quality of the wastewater inflow to the wastewater treatment plant (WWTP). Information on the quality of wastewater, sufficiently in advance, makes it possible to properly select bioreactor settings to obtain optimal process conditions. This paper presents the use of classification models to predict the variability of wastewater quality at...
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Compatibility of Crude Oil Blends─Processing Issues Related to Asphaltene Precipitation, Methods of Instability Prediction─A Review
PublicationProcessing crude oil of variable composition, especially due to the need to process crude oil blends obtained from various sources, presents a tremendous process challenge. This is mainly due to the destabilization of the colloidal system manifested mostly by the precipitation of the asphaltene fraction. The precipitation of asphaltenes from crude oil is a serious problem during extraction, transport, and processing. In the latter...
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Comparison of selected parametric methods for prediction of inland waterways ship hull resistance in towing tank test
PublicationIn the paper selected approximate methods for calculation of inland waterways ship resistance and their verification by towing tests, compared on the example of a small urban ferry, are presented. The test results are made for both the bare hull and the hull with appendages (skeg, azimuthal propeller). Significant differences between results of the theoretical methods and experimental ones, especially in the case of the model with...
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IFAC Conference on System Structure and Control
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From Structure to Luminescent Properties of B2O3-Bi2O3-SrF2 Glass and Glass-Ceramics Doped with Eu3+ Ions
PublicationGlass-ceramics with the composition B2O3 -Bi2O3 -SrF2 were synthesized by the conventional melt-quenching technique and subsequent crystallization of the parental glasses. The temperature at which the ceramization was carried out was selected based on differential scanning calorimetry (DSC) analysis. The structure of the studied materials and the formation of SrF2 nanocrystals were confirmed by the Fourier-transform infrared spectroscopy...
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Design of Structure of Tension Leg Platform for 6 MW Offshore Wind Turbine Based On Fem Analysis
PublicationThe article presents the calculation and design stages of the TLP platform serving as a supporting construction of a 6 MW offshore wind turbine. This platform is designed to anchor at sea at a depth of 60 m. The authors presented the method of parameterization and optimization of the hull geometry. For the two selected geometry variants, the load and motion calculations of the platform subjected to wind, wave and current under...
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Structure and hyperfine interactions in Bi1−xNdxFeO3 solid solutions prepared by solid-state sintering
PublicationThe series of polycrystalline ceramic powders, Bi1xNdxFeO3 (x = 0.11) was successfully synthesized by mixed oxide method followed by pressureless sintering. X-ray diffraction and Mössbauer spectroscopy were used as complementary methods to study structure and hyperfine interactions of the samples. It was found that with an increase of Nd content, within the range of x = 0.20.3 a structural phase transition from rhombohedral to...
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Straightening of ship hull structure made of 316L stainless steel - tensile test of water cooled materia
Open Research DataThe AISI 316L type steel belongs to the group of chromium-nickel stainless steels. They are determined according to European standards as X2CrNiMo17-12-2 and belong to the group of austenitic stainless steels. Steels of this group are used for elements working in seawater environments, for installations in the chemical, paper, and food, industries,...
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Straightening of ship hull structure made of 316L stainless steel - tensile test of naturally cooled material
Open Research DataThe AISI 316L type steel belongs to the group of chromium-nickel stainless steels. They are determined according to European standards as X2CrNiMo17-12-2 and belong to the group of austenitic stainless steels. Steels of this group are used for elements working in seawater environments, for installations in the chemical, paper, and food, industries,...
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A mobile loop order–disorder transition modulates the speed of chaperonin cycling
PublicationMolecular machines order and disorder polypeptides as they form and dissolve large intermolecular interfaces, but the biological significance of coupled ordering and binding has been established in few, if any, macromolecular systems. The ordering and binding of GroES co-chaperonin mobile loops accompany an ATP-dependent conformational change in the GroEL chaperonin that promotes client protein folding. Following ATP hydrolysis,...
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Short-range order structure and free volume distribution in liquid bismuth: X-ray diffraction and computer simulations studies
PublicationThe structure of liquid bismuth was studied by X-ray diffraction and computer simulation methods. The contraction of the atomic structure within the first coordination sphere in the temperature interval of 575- 1225 K is reported. The temperature dependencies of the coordination numbers and of the free volume are analysed. On the basis of the temperature dependencies of the free volume, the temperature dependencies of viscosity...
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Structure of the register of immovable monuments in terms of the number of large-scale 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 large-scale monuments by voivodeship for 2003 and 2024. In 2003, the large-scale monuments accounted for only 1.4% of all the immovable monuments. However, in 2024, their number has more than doubled, indicating significant growth.
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The analysis of the influence of the corrosion protection method of selected steel elements on the steel structure life cycle costs
PublicationSteel products are widely used in the construction for the performance of essential and additional elements of engineering structures. They are characterized by high tensile strength, compression and bending, the structure homogeneity, the possibility of assembly regardless of the season and climatic conditions, ease of processing and the possibility of almost any shape. The main disadvantage of steel structures is their high susceptibility...
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Effect of bio-polyol molecular weight on the structure and properties of polyurethane-polyisocyanurate (PUR-PIR) foams
PublicationThe increasing interest in polyurethane materials has raised the question of the environmental impact of these materials. For this reason, the scientists aim to find an extremely difficult balance between new material technologies and sustainable development. This work attempts to validate the possibility of replacing petrochemical polyols with previously synthesized bio-polyols and their impact on the structure and properties...
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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,...