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Search results for: free energy
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FeCl3-Modified Carbonaceous Catalysts from Orange Peel for Solvent-Free Alpha-Pinene Oxidation
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Microstructural and Mechanical Properties of Novel Co-Free Maraging Steel M789 Prepared by Additive Manufacturing
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The anion [Mg6Cl8Cp*5]-: a final intermediate on the way to the molecular donor-free Grignard compound MgClCp*?
PublicationOtrzymano i scharakteryzowano strukturalnie rzadki przypadek związku Grignarda pozbawionego donora. Struktura krystaliczna [Mg6Cl8Cp*5][AlCp*2] C6H6 zawiera zarówno metallocen (Cp*AlCp*) jak i odwrócony metallocen (MgCp*Mg).
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A comparison of three solvent-free techniques coupled with gas chromatography for determining trihalomethanes in urine samples
PublicationDążenie do oznaczania lotnych analitów organicznych w próbkach płynów biologicznych charakteryzujących się złożonym, a często zmiennym składem matrycy, stanowi siłę napędową do działań analityków w zakresie poszukiwania nowych rozwiązań metodycznych i aparaturowych. Publikacja ta przedstawia porównanie trzech technik zastosowanych do tych celów: technikę analizy fazy nadpowierzchniowej z generacją strumienia ciekłego sorbentu...
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PARTIAL WHEAT FLOUR REPLACEMENT WITH GLUTEN-FREE FLOURS IN BREAD - QUALITY, TEXTURE AND ANTIOXIDANT ACTIVITY
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Separation of surfactant functionalized single-walled carbon nanotubes via free solution electrophoresis method
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Waste-free synthesis of silica nanospheres and silica nanocoatings from recycled ethanol–ammonium solution
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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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Convenient and efficient N-methylation of secondary amines under solvent-free ball milling conditions
PublicationIn the present work, we report the development of a rapid, efcient, and solvent-free procedure for the N-methylation of secondary amines under mechanochemical conditions. After optimization of the milling parameters, a vibrational ball mill was used to synthesize 26 tertiary N-methylated amine derivatives in a short time of 20 min (30 Hz frequency) and high yields ranging from 78 to 95%. An exception was compounds having a hydroxyl...
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Hunting for the Magnesium(I) Species: Formation, Structure, andReactivity of some Donor-Free Grignard Compounds
PublicationMagnesium bromide radicals have to be prepared as high-temperature molecules and trapped as a metastable solution because a seemingly simple reduction of donor-free Grignard compounds failed. However, the essential role of magnesium(I) species during the formation of Grignard compounds could be demonstrated experimentally.
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Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublicationUnderstanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...
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What matters most to patients? On the Core Determinants of Patient Experience from Free Text Feedback
PublicationFree-text feedback from patients is increasingly used for improving the quality of healthcare services and systems. A major reason for the growing interest in harnessing free-text feedback is the belief that it provides richer information about what patients want and care about. The use of computational approaches such as structural topic modelling for analysing large unstructured textual data such as free-text feedback from patients...
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A general isogeometric finite element formulation for rotation‐free shells with in‐plane bending of embedded fibers
PublicationThis article presents a general, nonlinear isogeometric finite element formulation for rotation-free shells with embedded fibers that captures anisotropy in stretching, shearing, twisting, and bending - both in-plane and out-of-plane. These capabilities allow for the simulation of large sheets of heterogeneous and fibrous materials either with or without matrix, such as textiles, composites, and pantographic structures. The work...
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Implicit versus explicit finite volume schemes for extreme, free surface water flow modelling.
PublicationPrzedstawiono jeden jawny i trzy niejawne schematy metody objętości skończonych. Porównano własności tych schematów oraz oceniono możliwości ich stosowania do modelowania gwałtownych przepływów w kanałach otwartych. Zaproponowano modyfikację schematu niejawnego. Poprawiony schemat może być stosowany do obliczeń przepływu szybkozmiennego w kanałach otwartych i w sieciach kanalizacyjnych.
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Study on applicability of two modal identification techniques in irrelevant cases
PublicationStudy on applicability of two modal identification techniques in irrelevant cases is made in this paper. The following techniques are considered: Peak Picking based on correlation analysis (PP-CA), dedicated for ambient vibrations and Eigensystem Realization Algorithm (ERA), formulated for free decay vibrations investigation. Irrelevant cases are found when analyzed signals are different than recommended to a given technique. The...
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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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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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Metamorphosis-related changes in the free fatty acid profiles of Sarcophaga (Liopygia) argyrostoma (Robineau-Desvoidy, 1830)
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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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Inulin and fructooligosaccharide affect in vitro calcium uptake and absorption from calcium-enriched gluten-free bread
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Effect of Flaxseed Oil Cake Extract on the Microbial Quality, Texture and Shelf Life of Gluten-Free Bread
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Nutritional facts regarding commercially available gluten-free bread worldwide: Recent advances and future challenges
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High-Quality Gluten-Free Sponge Cakes without Sucrose: Inulin-Type Fructans as Sugar Alternatives
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Sulfuric acid modified clinoptilolite as a solid green catalyst for solvent-free α-pinene isomerization process
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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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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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FPGA-based LLRF control module for x-ray free electron laser and TESLA feedback system
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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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A comparative study of water distribution, free radical production and activation of antioxidative metabolism in germinating pea seeds
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Surfactant free fractions of metallic and semiconducting single-walled carbon nanotubes via optimised gel chromatography
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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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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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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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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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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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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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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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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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Plant-Based Antioxidants in Gluten-Free Bread Production: Sources, Technological and Sensory Aspects, Enhancing Strategies and Constraints
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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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