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Search results for: MELT-BLENDING
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Hybrid materials comprising trimethylglycinamide groups: immobilization consequences for anion binding affinities
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Assessment of Adjustment of GNSS Railway Measurements with Parameter-Binding Conditions in a Stationary Scenario
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NK1 receptor binding of a few low molecular weight 3,5-bistrifluoromethylbenzene derivatives
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Fentanyl Family at the Mu-Opioid Receptor: Uniform Assessment of Binding and Computational Analysis
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Single-stranded DNA-binding proteins (SSBs) - sources and applicationsin molecular biology
PublicationBiałka wiążące się do jednoniciowego DNA (SSB) odgrywają ważną rolę w replikacji, rekombinacji i naprawie DNA u bakterii, archea i eukariota. Ostatnio wzrosło zainteresowanie białkami SSB jako przydatnymi narzędziami w metodach badawczych biologii molekularnej, analitycznych i diagnostycznych. Większość znanych prokariotycznych białek SSB zbudowanych jest z czterech podjednostek (homotetramer) z jedną domeną wiążąca (OB) jednoniciowe...
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Analysis of coupled coplanar waveguide with ideal bonding wires between ground conductors
PublicationPrzedstawiono zmodyfikowaną analizę sprzężonych linii koplanarnych prowadzącą do uproszczenia procesu modelowania struktur wieloprzewodowych zawierających poprzecznie ułożone względem kierunku propagacji fali mostki dla wyrównania potencjałów na odseparowanych przestrzennie przewodach. Wyniki analizy teoretycznej zweryfikowano doświadczalnie uzyskując potwierdzenie poprawności zastosowanego podejścia.
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A tight-binding model of a carbon nanotube interacting with TiO2 rutile (110) surface
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Intermolecular Hydrogen Bonding Directed by Aryl–Perfluoroaryl π–π Stacking Interactions
PublicationThe crystal structures of five compounds capable of forming self-complementary hydrogen bonds but crystallizing as catemers or creating more complex crystal structures were compared with their complexes prepared by cocrystallization with perfluoroaryl compounds. The results of X-ray diffraction revealed that in all the cases the π–π stacking interactions caused reorganization of hydrogen bonds and induced creation of the expected...
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Leading with Understanding: Cultivating Positive Relationships between Neurotypical Leaders and Neurodivergent Employees
PublicationNeurodivergent employees have atypical needs that require distinctive leadership approaches. In this study, the specific nature of a relationship between neurodivergent employees and their neurotypical leaders is explored through the lens of the Leader-Member-Exchange (LMX) theory. This two-phased qualitative study builds on 12 semi-structured interviews with neurodivergent employees and an unstructured focus group with 15 individuals...
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Molecular insights into receptor binding energetics and neutralization of SARS-CoV-2 variants
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Accuracy Investigations of Turbine Blading Neural Models Applied to Thermal and Flow Diagnostics
PublicationPossibility of replacing computional fluid dynamics simulations by a neural model for fluid flow and thermal diagnostics of steam turbines is investigated. Results of calculations of velocity magnitude of steam for 3D model of the stator of steam turbine is presented.
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Enhancing diaphragmatic defect repair and regeneration: How biomaterials leading the way to progress?
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Anion binding by p-aminoazobenzene-derived aromatic amides: spectroscopic and electrochemical studies
PublicationThe synthesis and complexing properties of p-aminoazobenzene-derived mono-, bis-, and trisamides were described. Ligands 3 and 4 bind anions, including fluorides, chlorides, bromides, acetates, benzoates, dihydrogen phosphates, hydrogen sulfates, and p-toluenesulfonates, in chloroform forming 1 : 1 complexes. The highest value of stability constant was evaluated for the 4-F− complex (log K = 5.63 ± 0.21). On the basis of 1H NMR,...
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Geometry optimization of steroid sulfatase inhibitors - the influence on the free binding energy with STS
PublicationIn the paper we review the application of two techniques (molecular mechanics and quantum mechanics) to study the influence of geometry optimization of the steroid sulfatase inhibitors on the values of descriptors coded their chemical structure and their free binding energy with the STS protein. We selected 22 STS-inhibitors and compared their structures optimized with MM+, PM7 and DFT B3LYP/6–31++G* approaches considering separately...
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Efficient three-dimensional fluorescence measurements for characterization of binding properties in some plants
PublicationThe main aim of this research was to characterize some plants and to determine their similarities and differences, using spectroscopic methods. The interactions of soluble polyphenols of different plants with human serum albumin (HSA) were investigated by 3D-fluorescence. The obtained fluorescence results allow to classify the investigated plants according to their binding properties. The HSA-binding capacities of these plants...
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The Use of Direct Shear Test for Optimization of Interlayer Bonding Under a Poroelastic Layer
PublicationPoroelastic Road Surfaces (PERS) are characterised by porous structure with air void content of 20% or higher and stiffness almost 10 times lower than that of a standard asphalt course. Such properties enable noise reduction by up to 12 dB in comparison to SMA 11 mixture. However, the disadvantage of a poroelastic pavement is its low durability, which partially results from delamination from the lower layer. The paper aims to investigate...
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Assessment of Adjustment of GNSS Railway Measurements with Parameter-Binding Conditions in a Stationary Scenario
PublicationThe study aims to assess the applicability of the ordinary least squares method, robust estimation, and conditions-binded adjustment in processing the six synchronous coordinate pairs of global navigation satellite system (GNSS) receivers. The research is part of the research project InnoSatTrack, focused on the enhancement of the determination of geometrical parameters of railway tracks using GNSS, inertial, and other sensors....
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On the use of leading safety indicators in maritime and their feasibility for Maritime Autonomous Surface Ships
PublicationAlthough the safety of prospective Maritime Autonomous Surface Ships will largely depend on their ability to detect potential hazards and react to them, the contemporary scientific literature lacks the analysis of how to achieve this. This could be achieved through an application of leading safety indicators. The aim of the performed study was to identify the research directions of leading safety indicators in three safety-critical...
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Crystal structure, chemical bonding, and physical properties of layered AIrSn2 (A = Sr and Ba)
PublicationWe report the experimental and theoretical investigation of structure, chemical bonding interactions, and physical properties of new ternary stannides AIrSn2 (A = Sr and Ba). AIrSn2 (A = Sr and Ba) crystallizes in the orthorhombic Re3B-type structure with the space group Cmcm (No. 64). According to single-crystal X-ray diffraction results, the structure of AIrSn2 (A = Sr and Ba) can be considered as a Zintl-type compound with heterogeneous...
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A chemo-mechano-thermodynamical contact theory for adhesion, friction, and (de)bonding reactions
PublicationThis work presents a self-contained continuum formulation for coupled chemical, mechanical, and thermal contact interactions. The formulation is very general and, hence, admits arbitrary geometry, deformation, and material behavior. All model equations are derived rigorously from the balance laws of mass, momentum, energy, and entropy in the framework of irreversible thermodynamics, thus exposing all the coupling present in the...
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DNAffinity: a machine-learning approach to predict DNA binding affinities of transcription factors
PublicationWe present a physics-based machine learning approach to predict in vitro transcription factor binding affinities from structural and mechanical DNA properties directly derived from atomistic molecular dynamics simulations. The method is able to predict affinities obtained with techniques as different as uPBM, gcPBM and HT-SELEX with an excellent performance, much better than existing algorithms. Due to its nature, the method can...
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A Colorimetric Microplate Assay for DNA-Binding Activity of His-Tagged MutS Protein
PublicationA simple microplate method was designed for rapid testing DNA-binding activity of proteins. The principle of the assay involves binding of tested DNA by his-tagged protein immobilized on a nickel-coated ELISA plate, following colorimetric detection of biotinylated DNA with avidin conjugated to horseradish peroxidase. The method was used to compare DNA mismatch binding activities of MutS proteins from three bacterial species. The...
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Effect of multiaxial bending-torsion loading on fracture surface parameters in high-strength steels processed by conventional and additive manufacturing
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Effect of non-zero mean stress bending-torsion fatigue on fracture surface parameters of 34CrNiMo6 steel notched bars
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A fractographic study exploring the fracture surface topography of S355J2 steel after pseudo-random bending-torsion fatigue tests
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Prediction of metal deformation due to line heating; an alternative method of mechanical bending, based on artificial neural network approach
PublicationLine heating is one of the alternative methods of forming metals and this kind of forming uses the heating torch as a source of heat input. During the process, many parameters are considered like the size of the substrate, thickness, cooling method, source power intensity, the travel speed of the power source, the sequence of heating, and so on. It is important to analyze the factors affecting the...
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Fracture surface topography measurements analysis of low-alloyed corrosion resistant steel after bending-torsion fatigue tests
PublicationIn this paper, an assessment of a topography measurement method for fracture surfaces of 10HNAP steel after bending-torsion fatigue tests was performed. Surface roughness was measured by using a non-contact Focus Variation Microscopy (FVM) technique in which the non-measured points (NMPs) and outliers (spikes) were removed by the application of general methods. The results revealed, that the optical measurement method introduced...
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Local and global response of sandwich beams made of GFRP facings and PET foam core in three point bending test
PublicationIn the paper behaviour of laminated sandwich beams (FRP face sheet – PET foam core – FRP face sheet) subjected to three point bending is studied. The paper aim is to find practical descriptions enabling effective and accurate estimation of the elastic response, damage and failure of the beams, basing on experiments and static calculations. Therefore a number of tests are described, that were done on laminated coupons and foam specimens...
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EVALUATING THE INFLUENCE OF BENDING STRESS ON A 1H18N9 STEEL SHAFT WEAR PROCESS IN A WATER LUBRICATED SLIDING BEARING WITH A RUBBER BUSHING
PublicationThe issue of excessive wear of shaft journals co-working with a rubber bearing has been unexplained so far. Premature and sometimes very intensive wear of ship sliding bearings in water conditions is the reason for carry out very expensive and more frequent than expected repairs. The authors (E. Piątkowska, W. Litwin) made an attempt to find a case that influences the value of this wear described in the paper “Attempt at Evaluating...
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Bending analysis of functionally graded nanoplates based on a higher-order shear deformation theory using dynamic relaxation method
PublicationIn this paper, bending analysis of rectangular functionally graded (FG) nanoplates under a uniform transverse load has been considered based on the modified couple stress theory. Using Hamilton’s principle, governing equations are derived based on a higher-order shear deformation theory (HSDT). The set of coupled equations are solved using the dynamic relaxation (DR) method combined with finite difference (FD) discretization technique...
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Assessment of Thermal Stresses in Asphalt Mixtures at Low Temperatures Using the Tensile Creep Test and the Bending Beam Creep Test
PublicationThermal stresses are leading factors that influence low-temperature cracking behavior of asphalt pavements. During winter, when the temperature drops to significantly low values, tensile thermal stresses develop as a result of pavement contraction. Creep test methods can be suitable for the assessment of low-temperature properties of asphalt mixtures. To evaluate the influence of creep test methods on the obtained low-temperature...
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Notched concrete beams under bending - calculations of size effects within stochastic elasto-plasticity with non-local softening
PublicationW artykule przedstawiono wyniki numerycznej analizy efektów skali (efektu deterministycznego i stochastycznego) w belkach betonowych nacięciem poddanych zginaniu z uwzględnieniem lokalizacji odkształceń. Obliczenia wykonano przy zastosowaniu metody elementów skończonych i sprężysto-plastycznego modelu z nielokalnym osłabieniem. Pokazano wpływ wielkości belek na nośność z uwzględnieniem stochastycznego rozkładu wytrzymałości na...
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Mesoscopic simulations of a fracture process in reinforced concrete beam in bending using a 2D coupled DEM/micro-CT approach
PublicationW tej pracy zbadano numerycznie w warunkach 2D złożony proces pękania w krótkiej prostokątnej belce betonowej wzmocnionej jednym prętem podłużnym (bez zbrojenia pionowego) i poddanej quasi-statycznemu zginaniu w trzech punktach. Krytyczne pęknięcie poprzeczne w belce spowodowało jej uszkodzenie podczas doświadczenia. Symulacje numeryczne przeprowadzono klasyczną metodą elementów dyskretnych (DEM). Przyjęto trójfazowy opis betonu:...
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Acceptance of a potential major bleeding among patients with venous thromboembolism on long-term oral anticoagulation: the knowledge of the disease and therapy matters
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A Chemometric Approach to Oxidative Stability and Physicochemical Quality of Raw Ground Chicken Meat Affected by Black Seed and Other Spice Extracts
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Thermal utilization of meat-and-bone meal using the rotary kiln pyrolyzer and the fluidized bed boiler – The performance of pilot-scale installation
PublicationThermal utilization of meat-and-bone meal (MBM) is subject to stringent regulations that are meant to provide elimination of any potential pathogens. Incineration as well as other possible routes for thermal conversion of MBM are still at the research state. The universal technology was developed that allows to combust various types of waste organic materials, including animal waste, municipal solid waste and sludge, mixed at any...
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Activation of the C=P bond in phosphanylphosphaalkenes C=P–P bond system) in the reaction with nucleophilic reagents: MeLi, nBuLi and tBuLi
PublicationThree reactions of phosphanylphosphaalkene (1) with nucleophiles were performed to activate the diphosphorus monomer. We observed similar results in the reactions with MeLi and nBuLi, in which the P–P bond is cleavaged and triphosphorus systems [P(Me)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1a'') and [P(nBu)2–CH(biph)–CH(biph)–P–(PtBu 2)]- (1b''), respectively, are formed depending on the nucleophilic reagent (biph ¼ biphenyl). In the...
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Road mortality of pond-breeding amphibians during spring migrations in the Mazurian Lakeland, NE Poland
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Efficient algorithm for blinking LED detection dedicated to embedded systems equipped with high performance cameras
PublicationThis paper presents the concept and implementation of an efficient algorithm for detection of blinking LED or similar signal sources. Algorithm is designed for embedded devices equipped with high performance cameras being a part of an indoor positioning embedded system. An algorithm to be implemented in such a system should be efficient in terms of computational power what is hard to be achieved when large amount of data from camera...
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Personal Branding and Brand Loyalty, Social Network Users Brand Identification: Polish-French Model
PublicationSocial network brand sites are increasingly attracting the attention of scientists and managers intrigued by their potential application for brand value creation. The aim of this research, based on a multinational sample, is to fill the gap in understanding how users choose among social networking sites as an act of brand identification. The authors of the paper point to the fact that creating a personal brand is becoming more...
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Met and unmet care needs of older people with dementia living at home: Personal and informal carers’ perspectives
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Crack monitoring in concrete beams under bending using ultrasonic waves and coda wave interferometry: the effect of excitation frequency on coda
PublicationConcrete is one of the most widely used construction materials in the world. In recent years, various non-destructive testing (NDT) and structural health monitoring (SHM) techniques have been investigated to improve the safety and control of the current condition of concrete structures. This study focuses on micro-crack monitoring in concrete beams. The experimental analysis was carried out on concrete elements subjected to three-point...
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FE calculations of a deterministic and statistical size effect in concrete under bending within stochastic elasto-plasticity and non-local softening
PublicationW artykule przedstawiony wyniki obliczeń MES deterministycznego i statystycznego efektu skali w belkach betonowych podczas zginania. Zastosowano model w ramach stochastycznej sprężysto-plastyczności i nielokalnego osłabienia. Belki były geometrycznie podobne. Wyniki porównano z modelem efektu skali Bazanta.
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Adipocyte Fatty Acid‐Binding Protein as a Novel Marker of Psoriasis and Clinical Response to Acitretin
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The effect of topical treatment and psoriasis severity on serum retinol-binding protein-4 levels
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Inhibition Ability of Natural Compounds on Receptor-Binding Domain of SARS-CoV2: An In Silico Approach
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A Reaction of Thioamides with Zinc Ammoniates Leading to Simple Amidines. Discovery of a New Zwitterionic Monomethylamidine
PublicationThe reaction of thioamides with the R1R2N-ZnCl ammoniates leads to N-mono-, N,N'-di-, N,N-disubstituted, and unsubstituted amidines with high concns. of amines in abs. ethanol. The efficient direct formation of the N,N'-dimethylamidine can be explained by a greater reactivity of methylamine compared with dimethylamine. Discovery of a new zwitterion (induced by a carbonyl oxygen) suggests that the stabilization in the thymine...
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Studies on Aryl-Substituted Phenylalanines: Synthesis, Activity, and Different Binding Modes at AMPA Receptors
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Combining tight-binding and molecular dynamics methods to model the behaviour of metals in the plastic regime
PublicationOpisujemy zastosowanie metody dwuskalowej (kwantowo-klasycznej) w zastosowaniu do metali. Region energetycznie najważniejszy jest traktowany kwantowo, podczas gdy reszta układu jest traktowana klasycznie. Wprowadzamy własną implementację metody oraz przedstawiamy uzyskane wyniki dla metali.
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Novel Potential Binding Sites for Selective Inhibitor Design of Human Soluble Epoxide Hydrolase
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