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Search results for: free energy
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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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Analysis of free vibrations of cantilever bars with parabolically variable cross-sections using the Rayleigh’s method
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The Gluten-Free Diet and Glycaemic Index in the Management of Coeliac Disease Associated with Type 1 Diabetes
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Antioxidative and reducing capacity, macroelements content and sensorial properties of buckwheat‐enhanced gluten‐free bread
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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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A chromatography-free total synthesis of a ferrocene-containing dendrimer exhibiting the property of recognizing 9,10-diphenylanthracene
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Role of biochar-based free radicals in immobilization and speciation of metals in the contaminated soil-plant environment
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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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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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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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Simultaneous optical and electrochemical label-free biosensing with ITO-coated lossy-mode resonance sensor
PublicationIn this work we discuss a new label-free biosensing device based on indium tin oxide (ITO) overlaid section of a multimode optical fiber fused silica core. The sensor has been used to optical measurements also simultaneously interrogated electrochemically (EC). Due to optimized thickness and optical properties of ITO film, a lossy-mode resonance (LMR) could be observed in the optical domain, where electrical properties of the film...
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A Flexible Nafion Coated Enzyme‐free Glucose Sensor Based on Au‐dimpled Ti Structures
PublicationThe detection of glucose at low concentrations using electrochemical sensors is of great importance due to the possibility of using different human body fluids than blood, such as e.g. urine, saliva, sweat or tears. The interest behind those biofluids is related to their utility in non-invasive sugar determination. In this work, we present flexible, fully biocompatible electrode material based on Au nanoparticles immobilized onto...
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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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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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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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Reference-free determination of debonding length in reinforced concrete beams using guided wave propagation
PublicationThis paper presents theoretical and experimental investigations of guided wave propagation in reinforced concrete beams, with pre-existing debonding between steel rebars and concrete blocks, for the purpose of damage detection. The primary aim of these investigations was a detailed analysis of the possible applications of wave propagation in single and multiple debonding detection in reinforced concrete structures and reference-free...
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General, Mild, and Metal-Free Functionalization of Indole and Its Derivatives Through Direct C3-Selenylation
PublicationA very mild method for the introduction of functionalized alkylselenyl group at C-3 position of the indole ring was developed. The proposed procedure consists of an electrophilic substitution of indole and its derivatives with bis(O,O-diisopropoxyphosphorothioyl) diselenide and subsequent cleavage of the P–Se bond with tetrabutylammonium fluoride in the presence of various electrophilic reagents. This method can be successfully...
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Thermal Instability of Gold Thin Films
PublicationThe disintegration of a continuous metallic thin film leads to the formation of isolated islands, which can be used for the preparation of plasmonic structures. The transformation mechanism is driven by a thermally accelerated diffusion that leads to the minimalization of surface free energy in the system. In this paper, we report the results of our study on the disintegration of gold thin film and the formation of nanoislands...
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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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Vitamin B9 as a new eco-friendly corrosion inhibitor for copper in 3.5% NaCl solution
PublicationFolic acid salt (sodium folate) was studied as an eco-friendly and non-toxic copper corrosion inhibitor in 3.5% NaCl solution. Electrochemical impedance spectroscopy, polarization resistance and weight-loss measurements show that the inhibitor efficiency increases with concentration (the highest value- approx. 96% was reported for the solution containing 16 mM sodium folate after 24 h). EIS data and Tafel plots indicate that sodium...
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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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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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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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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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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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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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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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Sulfuric acid modified clinoptilolite as a solid green catalyst for solvent-free α-pinene isomerization process
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Microwave-Induced Processing of Free-Standing 3D Printouts: An Effortless Route to High-Redox Kinetics in Electroanalysis
Publication3D-printable composites have become an attractive option used for the design and manufacture of electrochemical sensors. However, to ensure proper charge-transfer kinetics at the electrode/electrolyte interface, activation is often required, with this step consisting of polymer removal to reveal the conductive nanofiller. In this work, we present a novel effective method for the activation of composites consisting of poly(lactic...
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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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Surfactant free fractions of metallic and semiconducting single-walled carbon nanotubes via optimised gel chromatography
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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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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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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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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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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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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...