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Search results for: PROTEINS, DATA-ASSISTED MODELING, CONFORMATIONAL ENSEMBLES, NUCLEAR MAGNETIC RESONANCE, SMALL-ANGLE X-RAY SCATTERING, CHEMICAL CROSS-LINKING COUPLED WITH MASS SPECTROSCOPY, MOLECULAR DYNAMICS, COARSE GRAINING
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Lattice dynamics of HgSe: Neutron scattering measurements andab initiostudies
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First detection of spectral resonance structures of the ionospheric Alfvén resonance in ULF/ELF magnetic field recorded at Suwałki, Poland
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Comprehensive two dimensional gas chromatography coupled with mass spectrometry as tool for characterization of the main pollutants present in atmospheric air in Gdansk
PublicationNowadays, the technique that is commonly used to identify and quantify the chemical compounds in gas sample is gas chromatography. The separation resolution in gas chromatography can be improved by applying the modulation technique. In this paper present is the most important information regarding the pollutants present in atmospheric air. The areas in which the tests were carried out are one of the largest industrial zones in...
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Modeling and experimental investigation of the small UPQC systems
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Modeling and experimental investigation of the small UPQC systems
PublicationIn this paper the basis of analytical modelling of the UPQC arrangements (Unified Power Quality Conditioner) in d-q rotating coordinates, as well as select results of investigations conducted on the simplified small power laboratory model were talked over. In short form power balance as well as fundamental dependences and analytic model with regard of decoupling circuits were investigated. Applied method for DC link capacity selection...
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Effect of Chitosan Deacetylation on Its Affinity to Type III Collagen: A Molecular Dynamics Study
PublicationThe ability to form strong intermolecular interactions by linear glucosamine polysaccharides with collagen is strictly related to their nonlinear dynamic behavior and hence bio-lubricating features. Type III collagen plays a crucial role in tissue regeneration, and its presence in the articular cartilage affects its bio-technical features. In this study, the molecular dynamics methodology was applied to evaluate the effect of...
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Data-Driven Surrogate-Assisted Optimization of Metamaterial-Based Filtenna Using Deep Learning
PublicationIn this work, a computationally efficient method based on data driven surrogate models is pro-posed for the design optimization procedure of a Frequency Selective Surface (FSS)-based filtering antenna (Filtenna). A Filtenna acts as a as module that simultaneously pre-filters unwanted sig-nals, and enhances the desired signals at the operating frequency. However, due to a typically large number of design variables of FSS unit elements,...
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X-ray diffractometry results of the Sr0.86Ti0.65Fe0.35O3 powder
Open Research DataThis dataset contains results of X-ray diffractometry mesurement (XRD) of the Sr0.86Ti0.65Fe0.35O3-d (STF35) powder. The phase composition of the investigated STF35 powder was analyzed by XRD at room temperature. It confirms the formation of the cubic perovskite oxide phase. Calculated average lattice constant is a 3.90882(1) Å, with Goodness of Fit...
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Positron collisions with molecular hydrogen: cross sections and annihilation parameters calculated using theR-matrix with pseudo-states method
PublicationThe molecular R-matrix with pseudo-states (MRMPS) method is employed to study positron collisions with H2. The calculations employ pseudo-continuum orbital sets containing up to h (l = 5) functions. Use of these high l functions is found to give converged eigenphase sums. Below the positronium formation threshold, the calculated cross sections agree with other high-accuracy theories and generally with the measurements. Calculation...
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Evaluation of structural change during fast transformation process of cross-linked NR into liquid NR by light pyrolysis
PublicationThe presence of cross-linked networks in rubber creates a tremendous problem for recycling and reusing of waste rubber. Fast transformation of cross-linked natural rubber (NR) into liquid natural rubber was carried out by light pyrolysis in temperature range from 240 to 300 °C in variable time (in range: 1–30 min). The transformation efficiency was evaluated by measuring the sol fraction and the cross-link density of the gel fraction....
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Generating molecular entities as structured data
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The molecular entities in linked data dataset
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Fast, sensitive and reliable multi-residue method for routine determination of 34 pesticides from various chemical groups in water samples by using dispersive liquid – liquid microextraction coupled with gas chromatography – mass spectrometry
PublicationA simple and efficient dispersive liquid-liquid microextraction technique (DLLME) was developed by using a mixture of two solvents: 40 μL of tetrachlorethylene (extraction solvent) and 1.0 mL of methanol (disperser solvent), which was rapidly injected with a syringe into 10mL ofwater sample. Some important parameters affecting the extraction efficiency, such as type and volume of solvents, water sample volume, extraction time,...
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Comparison of resonance optical scattering of plane waves by infinite gratings of silver cylinders and strips
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Carbon nanowalls: A new versatile graphene based interface for laser desorption/ionization-mass spectrometry detection of small compounds in real samples.
PublicationCarbon nanowalls, vertically aligned graphene nanosheets, attract attention owing to their tunable band-gap, high conductivity, high mechanical robustness, high optical absorbance and other remarkable properties. In this paper, we report for the first time, the use of hydrophobic boron-doped carbon nanowalls (CNWs) for laser desorption/ionization of small compounds and their subsequent detection by mass spectrometry (LDI-MS). The...
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Billiard in a rotating half-plane: modeling and dynamics
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Reliable data-driven modeling of high-frequency structures by means of nested kriging with enhanced design of experiments
PublicationData-driven (or approximation) surrogate models have been gaining popularity in many areas of engineering and science, including high-frequency electronics. They are attractive as a way of alleviating the difficulties pertinent to high computational cost of evaluating full-wave electromagnetic (EM) simulation models of microwave, antenna, and integrated photonic components and devices. Carrying out design tasks that involve massive...
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Cross sections for electron scattering from furan molecules; measurements and calculations
PublicationZmierzono i policzono przekroje czynne (TCS) na rozproszenie elektronów na drobinach furanu (C4H4O). Całkowite przekroje czynne zmierzono metodą transmisyjną w zakresie energii 0.6 - 400 eV. Sprężysty i jonizacyjny przekrój czyny obliczono dla energii zderzenia do 4 keV; powyżej 70 eV suma obu przekrojów pozostaje w dobrej zgodności z mierzonymi wartościami TCS.
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Electron-scattering total cross sections for triatomic molecules: NO2 and H2O
PublicationZmierzono całkowite przekroje czynne na rozpraszanie elektronów na drobinach NO2 i H2O, odpowiednio w zakresie energii od 3 do 370 eV oraz 0,5 do 370 eV. Dla średniej energii zderzenia obliczono ponadto przekroje na rozproszenie sprężyste i jonizację.
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Electron scattering from hexafluoroacetone molecules: cross section measurements and calculations
PublicationZmierzono absolutne całkowite przekroje czynne na zderzenie elektronów z drobinami hexafluoroacetonu (HFA). Pomiary przeprowadzono dla energii zderzenia od 1 do 400 eV. Zależność energetyczna przekroju czynnego wykazała obecność struktur związanych z procesami o charakterze rezonansowym. Wykonano obliczenia sprężystego i jonizacyjnego przekroju czynnego dla drobin HFA i acetonu. Suma obliczonych przekrojów wykazuje dużą zgodność...
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Isomer effects on the total cross section for electron scattering from C4F6molecules.
PublicationZmierzono całkowity przekrój czynny (TCS) na rozpraszanie elektronów na drobinach 1,3-C4F6. Pomiary przeprowadzono w zakresie energii elektronu od 0,6do 370 eV. Wyniki porównano z TCS otrzymanym poprzednio dla 2-C4F6. Stwierdzono wpływ różnic strukturalnych na otrzymane energetyczne zależności TCS (tzw. efekt izomeryczny).
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Cross section calculations for electron scattering from DNA and RNA bases.
PublicationPoliczono różniczkowy i scałkowany przekrój czynny na rozproszenie sprężyste elektronów (w przybliżeniu atomów niezależnych) na uracylu, cytozynie, guaninie, adeninie i tyminie w zakresie energii od 50-4000 eV. W przybliżeniu modelu BEB policzono również przekroje czynne na jonizację tych molekuł.
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Cross sections for electron scattering from selected components of DNA and RNA
PublicationWykorzystując metodę atomów niezależnych obliczono różniczkowe i całkowite przekroje czynne na sprężyste rozproszenie elektronów na wybranych drobinach, będących analogami składników DNA i RNA. Przekroje te obliczono w zakresie energii zderzenia od 50eV do 200 eV dla następujących drobin: C4H8O, C4H8O2, C5H10O2 oraz H3PO4. Przy użyciu metody BEB (binary-ecounter Bethe method) dla powyższych związków obliczono również przekroje...
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Data set generation at novel test-rig for validation of numerical models for modeling granular flows
PublicationSignificant effort has been exerted on developing fast and reliable numerical models for modeling particulate flow; this is challenging owing to the complexity of such flows. To achieve this, reliable and high-quality experimental data are required for model development and validation. This study presents the design of a novel test-rig that allows the visualization and measurement of particle flow patterns during the collision...
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Magnetic Resonance Imaging Clinics of North America
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Estimation of optical parameters of highly scattering materials by time-of-flight spectroscopy.
PublicationPrzedstawiono metody wyznaczania podstawowych parametrów materiałów silnie rozpraszających światło na podstawie pomierzonego rozkładu czasu przelotu krótkich impulsów laserowych. W algorytmie wykorzystano metodę Monte Carlo i metodę dyfuzji do opisu propagacji światła. Oszacowano dokładność oszacowywania tych parametrów.
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Influence of magnetic interaction on lattice dynamics of FeBO 3
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Chemical Engineering Science: X
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Chemical Physics Letters: X
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Carotenoid binding to proteins: Modeling pigment transport to lipid membranes
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Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment
PublicationCritical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...
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Dynamics of a linear pneumatic actuator with 80 mm piston diameter and 500 mm stroke subjected only to a mass load of 2570 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 63 mm piston diameter and 500 mm stroke subjected only to a mass load of 1640 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 63 mm piston diameter and 150 mm stroke subjected only to a mass load of 750 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 80 mm piston diameter and 150 mm stroke subjected only to a mass load of 1100 g
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 150 mm stroke subjected only to a mass load of 1530 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 80 mm piston diameter and 100 mm stroke subjected only to a mass load of 1650 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 63 mm piston diameter and 100 mm stroke subjected only to a mass load of 1640 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 80 mm piston diameter and 300 mm stroke subjected only to a mass load of 1650 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 100 mm stroke subjected only to a mass load of 930 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 300 mm stroke subjected only to a mass load of 930 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 80 mm piston diameter and 150 mm stroke subjected only to a mass load of 1650 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 100 mm stroke subjected only to a mass load of 450 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 500 mm stroke subjected only to a mass load of 1530 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 63 mm piston diameter and 300 mm stroke subjected only to a mass load of 1680 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 150 mm stroke subjected only to a mass load of 930 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 63 mm piston diameter and 100 mm stroke subjected only to a mass load of 560 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 63 mm piston diameter and 100 mm stroke subjected only to a mass load of 1040 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 100 mm stroke subjected only to a mass load of 640 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....
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Dynamics of a linear pneumatic actuator with 50 mm piston diameter and 300 mm stroke subjected only to a mass load of 1530 g
Open Research DataThe aim of the study was to determine the dynamics of a linear pneumatic cylinder subjected only to mass load. An actuator of one of the well known European manufacturers was tested.The experiment were to measure pressure changes in both chambers of the actuator and the position of the piston during stroke and retracting. The test was repeated 11 times....