Search results for: free energy
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Spin probe dynamics in relation to free volume in crystalline organics from ESR and PALS: N-tridecane
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Sulfuric acid modified clinoptilolite as a solid green catalyst for solvent-free α-pinene isomerization process
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Surfactant free fractions of metallic and semiconducting single-walled carbon nanotubes via optimised gel chromatography
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Preparation of matrix-free materials of volatile analytes based on the controlled decomposition of surface compounds: a new concept
PublicationW publikacji przedstawiono nową koncepcję wytwarzania bezmatrycowych materiałów odniesienia wykorzystującą związki powierzchniowe, które są chemicznie związane z powierzchnią nośnika (żelu krzemionkowego, szkła porowatego, pałeczek szklanych pokrytych żelem krzemionkowym, oraz włókna szklanego), które w określonych warunkach temperaturowych ulegają termicznemu rozkładowi lub przegrupowaniom chemicznym z uwolnieniem ściśle określonej...
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Gluten-Free Bread with Cricket Powder—Mechanical Properties and Molecular Water Dynamics in Dough and Ready Product
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Photophysical properties and photocytotoxicity of free and liposome-entrapped diazepinoporphyrazines on LNCaP cells under normoxic and hypoxic conditions
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Evaluation of brain volume alterations in HCV-infected patients after interferon-free therapy: A pilot study
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Base-Catalyzed, Solvent-Free Synthesis of Rigid V-Shaped Epoxydibenzo[b,f][1,5]diazocines
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FPGA-based LLRF control module for x-ray free electron laser and TESLA feedback system
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Powerful connection of laccase and carbon nanotubes: Material for mediator-free electron transport on the enzymatic cathode of the biobattery
PublicationOpisany został sposób wytwarzania koniugatów lakaza - jednościenne nanorurki węglowe i ich zastosowanie jako materiałów modyfikujacych katodę w hybrydowym bioogniwie paliwowym z cynkową anodą. Nanorurki węglowe z przyłączonymi grupami aminoetylowymi stanowiły materiał wyjściowy do chemicznego związania lakazy na ich powierzchni. Otrzymany materiał wykazywał wysoką aktywność bioelektrokatalityczną i jest obiecujacym materiałem do...
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Measurements and Visualization of Sound Intensity Around the Human Head in Free Field Using Acoustic Vector Sensor
PublicationThis paper presents measurements and visualization of sound intensity around the human head simulator in a free field. A Cartesian robot, applied for precise positioning of the acoustic vector sensor, was used to measure sound intensity. Measurements were performed in a free field using a head and torso simulator and the setup consisting of four different loudspeaker configurations. The acoustic vector sensor was positioned around...
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Multistage Coupling of Eight Mistuned Bladed Disk on a Solid Shaft, Part 1 Free Vibration Analysis
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Sensitivity analysis of free torsional vibration frequencies of thin-walled laminated beams under axial load
PublicationThe paper addresses sensitivity analysis of free torsional vibration frequencies of thin-walled beams of bisymmetric open cross-section made of unidirectional fibre-reinforced laminate. The warping effect and the axial end load are taken into account. The consideration is based upon the classical theory of thin-walled beams of non-deformable cross-section. The first-order sensitivity variation of the frequencies is derived with...
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A novel approach in wood waste utilization for manufacturing of catalyst-free polyurethane-wood composites (PU-WC)
PublicationIn recent decades, due to the increase in environmental awareness and noticeable environmental degradation, the area of wood waste management has attracted increasing attention. The purpose of this study is to develop a new type of highly filled polyurethane wood-composite (PU-WC) by the utilization of large amount of wood wastes without addition of a catalyst. Although wood-plastic composites (WPCs) are widely known, there is...
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Low-volume label-free SARS-CoV-2 detection with the microcavity-based optical fiber sensor
PublicationAccurate and fast detection of viruses is crucial for controlling outbreaks of many diseases; therefore, to date, numerous sensing systems for their detection have been studied. On top of the performance of these sensing systems, the availability of biorecognition elements specific to especially the new etiological agents is an additional fundamental challenge. Therefore, besides high sensitivity and selectivity, such advantages...
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Coupled DEM/CFD analysis of impact of free water on the static and dynamic response of concrete in tension regime
PublicationW tym artykule zbadano numerycznie quasi-statyczne i dynamiczne zachowanie częściowo nasyconego płynem betonu w warunkach dwuwymiarowego (2D) jednoosiowego rozciągania w mezoskali. Obliczono, jaki wpływ ma zawartość wolnego płynu porowego (gazu i wody) na proces pękania i wytrzymałość betonu w rozciąganiu. Do symulacji zachowania betonu całkowicie i częściowo nasyconego płynem w warunkach quasi-statycznych i dynamicznych wykorzystano...
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Specific Binding of Cholesterol to the Amyloid Precursor Protein: Structure of the Complex and Driving Forces Characterized in Molecular Detail
PublicationC99 is the C-terminal membrane-bound fragment of the amyloid precursor protein that is cleaved by γ-secretase to release Aβ peptides, the hallmark of Alzheimer’s disease (AD). Specific interactions of C99 with cholesterol have been proposed to underlie the recognized role of cholesterol in promoting amyloidogenesis. By using molecular dynamics simulations, we studied cholesterol binding to C99 in a lipid bilayer. We determined...
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Enhancement of self-trapped excitons and near-infrared emission in Bi3+/Er3+ co-doped Cs2Ag0.4Na0.6InCl6 double perovskite
Open Research DataErbium (Er) complexes are used as optical gain materials for signal generation in the telecom C-band at 1540 nm, but they need a sensitizer to enhance absorption. Na+ substitution for Ag+ and Bi3+ doping at the In3+ site is a possible strategy to enhance the broadband emission of Cs2AgInCl6, which could be used as a sensitizer for energy transfer to...
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PVA-Based Films with Strontium Titanate Nanoparticles Dedicated to Wound Dressing Application
PublicationBioactive materials may be applied in tissue regeneration, and an example of such materials are wound dressings, which are used to accelerate skin healing, especially after trauma. Here, we proposed a novel dressing enriched by a bioactive component. The aim of our study was to prepare and characterize poly(vinyl alcohol) films modified with strontium titanate nanoparticles. The physicochemical properties of films were studied,...
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Collagen type II–hyaluronan interactions – the effect of proline hydroxylation: a molecular dynamics study
PublicationHyaluronan–collagen composites have been employed in numerous biomedical applications. Understanding the interactions between hyaluronan and collagen is particularly important in the context of joint cartilage function and the treatment of joint diseases. Many factors affect the affinity of collagen for hyaluronan. One of the important factors is the ratio of 3- or 4-hydroxy proline to proline residues. This article presents...
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Role of the disulfide bond in stabilizing and folding of the fimbrial protein DraE from uropathogenic Escherichia coli
PublicationDr fimbriae are homopolymeric adhesive organelles of uropathogenic Escherichia coli composed of DraE subunits, responsible for the attachment to host cells. These structures are characterized by enormously high stability resulting from the structural properties of an Ig-like fold of DraE. One feature of DraE and other fimbrial subunits that makes them peculiar among Ig-like domain-containing proteins is a conserved disulfide bond...
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Fast Calibration-Free Single-Anchor Indoor Localization Based on Limited Number of ESPAR Antenna Radiation Patterns
Publication— In this article, we investigate how the calibrationfree single-anchor indoor localization algorithm developed for base stations equipped with electronically steerable parasitic array radiator (ESPAR) antennas can further be improved. By reducing the total number of ESPAR antenna radiation patterns used in localization process, one can significantly reduce the time needed for an object localization. Performed localization measurements...
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Co-free triple perovskite La1.5Ba1.5Cu3O7±δ as a promising air electrode material for solid oxide fuel cells
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Cu-Content La1−XSrxNi1−YCuyO3−Δ Perovskites As Cobalt-Free Cathode Materials for High-Performance It-SOFCs
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Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
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Photocatalytic hydrogen evolution by co-catalyst-free TiO2/C bulk heterostructures synthesized under mild conditions
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Label-free testing strategy to evaluate packed red blood cell quality before transfusion to leukemia patients
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Cadmium and lead content in gluten and gluten-free bread available on the Polish market – potential health risk to consumers
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New matrix-free reference materials of volatile compounds - application of glass fibres as support materials for surface compounds
PublicationTechnika termicznego rozkładu związków powierzchniowych, znana od ponad dziesięciu lat, ulega ciągłym udoskonaleniom w celu otrzymywania coraz szerszej gamy wzorców analitycznych występujących na coraz niższych poziomach stężeń. Początkowo w roli nośnika stosowano żel krzemionkowy, który w trakcie dalszych faz rozwoju tej techniki zastąpiono kolejno szkłem porowatym, a następnie włóknem szklanym. W ostatnim czasie uproszczono układ...
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LF NMR spectroscopy analysis of water dynamics and texture of Gluten-Free bread with cricket powder during storage
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Interferon‐free therapy as the cause of white matter tracts and cerebral perfusion recovery in patients with chronic hepatitis C
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Epoxydibenzo[b,f][1,5]diazocines: From a Hidden Structural Motif to an Efficient Solvent-Free Synthetic Protocol
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<title>Cavity control system advanced modeling and simulations for TESLA linear accelerator and free electron laser</title>
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Extraction of mass spectra free of background and neighboring component contributions from gas chromatography/mass spectrometry data
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Chromatographic analyses of Lavandula angustifolia and Rosmarinus officinalis extracts and their biological effects in mammalian cells and cell-free systems
PublicationKnowledge of biological properties of natural compounds allows to understand their therapeutic value, efficacy and security. We investigated: composition of Lavandula angustifolia (LA) and Rosmarinus officinalis (RO) extracts, their antioxidant capacity, cytotoxicity and genotoxicity, their DNA-protective potential against DNA damage induced in hamster V79 cells by several genotoxins or in plasmid DNA by Fe2+ ions and activity...
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Theoretical consideration of free convective heat transfer from a round isothermal plate slightly inclined from the vertical
PublicationA semi-analytical solution of simplified Navier-Stokes and Fourier-Kirchhoff equations describing free convective heat transfer from a round isothermal surface slightly inclined from the vertical is presented. The solution is based on the assumption, typical for natural convection, that the velocity component normal to the surface is negligibly small in comparison to the tangential one. Next we neglect the nonlinear inertia force...
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Inhibition effect of free ammonia on deammonification process under different intermittent aeration strategies in sequencing batch reactor
PublicationThe deammonification process involves two steps. The first step is the partial nitrification of ammonia (NH4-N) by ammonia oxidizing bacteria (AOB) to produce nitrite (NO2-N) and the second step is the anammox process to “anaerobically” oxidize ammonia to nitrogen gas with nitrite as an electron acceptor (Lackner et al., 2014). Free ammonia (FA) plays a significant role in the stable, long-term deammonification system operation....
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Free-standing TiO2 nanotubes decorated with spherical nickel nanoparticles as a cost-efficient electrocatalyst for oxygen evolution reaction
PublicationHere, we report significant activity towards the oxygen evolution reaction (OER) of spherical nickel nanoparticles (NPs) electrodeposited onto free-standing TiO2 nanotubes (TNT) via cyclic voltammetry. It has been shown that simple manipulation of processing parameters, including scan rate and number of cycles, allows for formation of the NPs in various diameters and amounts. The polarization data with respect to transmission electron...
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The use of thermal imaging camera to estimate velocity profiles based on temperature distribution in a free convection boundary layer
PublicationThis work describes an attempt to assess whether the temperature field from a thermal imaging camera can be converted into a velocity field with an accuracy sufficient for qualitative conducting or describing the phenomenon, i.e. when the Navier-Stokes, Fourier-Kirchhoff and continuity equations are mutually coupled. The consequence of this link between temperature fields and velocity is the possibility to formulate the hypothesis...
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OBSERVATION OF THE THERMOSIPHON EFFECT IN THE CIRCULATION OF ACETONE AS WORKING FLUID IN MODERN COOLING SYSTEM
Publicationplants or computer server rooms has led to the demand for new and reliable methods for electronic cooling. Because of bigger and bigger power levels and miniaturization of the electronic devices, lack of free space in such a high heat flux. The increasing integration of electronic logy that supposed to be designed for high thermal performance, low mass, and able to work in harsh environments. In this paper presented a prototype...
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The voltage on bus bars of the main switchboard of the ferry electrical power system during a layover at the port
Open Research DataThe dataset is part of the research results on the quality of supply voltage on bus bars of the main switchboard of the ship's electrical power system in different states of ship exploitation. The attached dataset contains the measurement results carried out onboard the ferry during a layover at the port.
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Fault-tolerant performance of the novel five-phase doubly-fed induction generator
PublicationThe article presents the concept of a new design of a multi-phase doubly-fed induction generator (DFIG). The innovative design approach uses a five-phase power supply from the rotor side of the generator with a three-phase classic stator power supply. Modern three-phase doubly-fed induction generators are the dominant choice for Wind Energy Conversion Systems (WECS). Solutions of this type are sensitive to the loss of at least...
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Formation of CN (B2∑+) radicals in the vacuum-ultraviolet photodissociation of pyridine and pyrimidine molecules
PublicationFormation of the excited CN(B2∑+) free radicals in the photodissociation of pyridine (C5H5N) and pyrimidine (C4H4N2) molecules was investigated over the energy ranges 16–27 and 14.7–25 eV, respectively. Photon-induced fluorescence spectroscopy was applied to detect the vibrationally and rotationally excited CN radicals by recording the B2∑+→X2∑+ emission bands (violet system). The measured dissociation yield curves demonstrate...
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Hydrogen migration in formation of NH(A3Π) radicals via superexcited states in photodissociation of isoxazole molecules
PublicationFormation of the excited NH(A 3Π) free radicals in the photodissociation of isoxazole (C3H3NO) molecules has been studied over the 14-22 eV energy range using photon-induced fluorescence spectroscopy. The NH(A 3Π) is produced through excitation of the isoxazole molecules into higher-lying superexcited states. Observation of the NH radical, which is not a structural unit of the isoxazole molecule, corroborates the hydrogen atom...
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Prioritising national healthcare service issues from free text feedback – A computational text analysis & predictive modelling approach
PublicationPatient experience surveys have become a key source of evidence for supporting decision-making and continuous quality improvement within healthcare services. To harness free-text feedback collected as part of these surveys for additional insights, text analytics methods are increasingly employed when the data collected is not amenable to traditional qualitative analysis due to volume. However, while text analytics techniques offer...
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Flexible Films as Anode Materials Based on rGO and TiO2/MnO2 in Li-Ion Batteries Free of Non-Active Agents
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Effects of Flywheel vs. Free-Weight Squats and Split Squats on Jumping Performance and Change of Direction Speed in Soccer Players
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The type of blood used to feed Aedes aegypti females affects their cuticular and internal free fatty acid (FFA) profiles
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Boosting Portland cement-free composite performance via alkali-activation and reinforcement with pre-treated functionalised wheat straw
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