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Wyniki wyszukiwania dla: structural changes
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Molecular Insights into the Interactions Between Human Serum Albumin and Phospholipid Membranes
PublikacjaIn this study, molecular dynamics simulations were employed to analyze interactions between phospholipid membranes and human serum albumin (HSA) in the presence of mono- and divalent cations. Two types of membranes, composed of dipalmitoyl phosphatidylcholine (DPPC) and dipalmitoyl phosphatidylethanolamine (DPPE), were utilized. The results revealed that both systems exhibited high stability. The DPPE complexes displayed a greater...
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Stress–strain model of lower corroded steel plates of normal strength for fitness-for-purpose analyses
PublikacjaThis study investigates the mechanical properties of specimens made of normal strength steel subjected to lower marine immersed corrosion degradation levels (below 25 %). The specimens were corroded in laboratory conditions, and only natural factors were controlled to raise the corrosion rate (reaching the level of 1 mm/year). Three different thicknesses of plates made of normal strength of shipbuilding steel are investigated (between...
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Telomere uncapping by common oxidative guanine lesions: Insights from atomistic models
PublikacjaOxidative damage to DNA is widely known to contribute to aging and disease. This relationship has been extensively studied for telomeres – structures that cap chromosome ends – due to their role in cell proliferation and senescence, and exceptional susceptibility to oxidation. Indeed, the repetitive telomeric DNA sequence contains the 5′-GGG-3′ motif that has the lowest ionization potential of all trinucleotides. Accordingly, experiments...
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Quality assessment of low voltage surge arresters
PublikacjaUsers expect reliable operation of the surge arrester during overvoltages, which may originate from a switching process or a lightning discharge. The necessary conditions to guarantee these expectations are: appropriate construction of the surge arrester, its production being maintained in accordance with technical standards, and a positive results of the type test (as well routine and acceptance tests). The recipient, especially...
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Interaction of cisplatin and two potential antitumoral platinum(ii) complexes with a model lipid membrane: a combined NMR and MD study
PublikacjaIn this study, the interaction of cisplatin (1) and two potential antitumoral Pt(II) complexes (2 and 3) with a model DMPC bilayer was investigated by multinuclear NMR spectroscopy and MD simulations in order to understand its implication for the different antitumoral properties shown by the three complexes. In particular, 31P, 13C and 2H solid state NMR experiments were performed to obtain information on the phase structure, phase...
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Mapping the Structural and Dynamic Determinants of pH-Sensitive Heparin Binding to Granulocyte Macrophage Colony Stimulating Factor
PublikacjaGranulocyte macrophage colony stimulating factor (GMCSF) is an immunomodulatory cytokine that is harnessed as a therapeutic. GMCSF is known to interact with other clinically important molecules, such as heparin, suggesting that endogenous and administered GMCSF has the potential to modulate orthogonal treatment outcomes. Thus, molecular level characterization of GMCSF and its interactions with biologically active compounds is critical...
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Use of Daylight and Aesthetic Image of Glass Facades in Contemporary Buildings
PublikacjaThe paper deals with the architecture of contemporary buildings in respect to their aesthetic image created by the use of natural light. Sustainability is regarded as a principle of contemporary architecture, where daylighting is an important factor as it affects energy consumption and environmental quality of the space inside a building. Environmental awareness of architecture, however, involves a much wider and more holistic...
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Effect of composition on the thermal properties and structure of M-Al-Si-O-N glasses, M = Na, Mg, Ca
PublikacjaThe primary objective of this study is to explore the relationship between the composition, structure, and thermal characteristics of M-Al-Si-O-N glasses, with M representing sodium (Na), magnesium (Mg), or calcium (Ca). The glasses were prepared by melting in a quartz crucible at 1650 °C and AlN precursor (powder) was utilized as a nitrogen source. The measured thermal properties studied were glass transition temperature (Tg),...
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Experimental study of the impact of notches and holes made in the front edge of adherends on the properties of static and fatigue strength of adhesive joints
PublikacjaThe paper presents the results of experimental studies aimed at determining the effect of holes and notches at the front edge of adherends on the strength of adhesive joints. Single-lap joints made of S235JR steel sheets joined with Araldite 2014-2 epoxy adhesive were tested. Comparative tests of static strength in the shear test as well as high-cycle fatigue strength tests were carried out. Joints with three holes with a diameter...
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Biopolyols obtained via crude glycerol-based liquefaction of cellulose: their structural, rheological and thermal characterization
PublikacjaIn this work lignocellulose biomass liquefaction was used to produce biopolyols suitable for the manufacturing of rigid polyurethane foams. In order to better evaluate the mechanism of the process, pure cellulose was applied as a raw material. The effect of time and temperature on the effectiveness of liquefaction and the parameters of resulting biopolyols were characterized. The prepared materials were analyzed in terms of their...
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Numerical and experimental investigation of guided ultrasonic wave propagation in non-uniform plates with structural phase variations
PublikacjaThe article presents the results of numerical and experimental investigations of guided wave propagation in aluminum plates with variable thickness. The shapes of plate surfaces have been specially designed and manufactured using a CNC milling machine. The shapes of the plates were defined by sinusoidal functions varying in phase shift, which forced the changes in thickness variability alongside the propagation path. The main aim...
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Diagnosis of Damage in a Steel Tank with Self-Supported Roof through Numerical Analysis
PublikacjaThe safety of civil engineering structures is one of the most important issues of building industry. That is why the assessment of the damage-involved structural response has recently become of major concern to engineers. Among a number of different approaches to diagnosis of damage, the method of measuring the changes in natural frequencies is considered to be one of the most effective indicators of global damage. From the practical...
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Impact of Innovative Financial Products on Financial Systems: Exchange Traded Products and the Polish Financial System
PublikacjaExchange Traded Products (ETPs) are one of the most recent and most rapidly developing financial products. As their assets grow they have an increasing impact on financial systems in many countries, including USA, UK or Japan. Development of ETPs is linked with many opportunities and threats for the local financial systems. Their correct assessment is becoming more difficult due to the growing complexity of the available products,...
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A facile synthesis by spark plasma sintering of mobile lithium ions into oxynitride glass-ceramic matrix: Insight and perspective
PublikacjaThe quest for efficient energy storage solutions has led to the development of solid-state Li-on batteries (SSBs), which utilize solid-state electrolyte (SSE) materials instead of organic liquid electrolytes. This study investigates the effect of increasing Li content in a Ca11Al14Si16O49N10 glass-ceramic material on its structural, thermal, physical, and electrical properties. Spark Plasma Sintered (SPS) glass-ceramic samples...
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Generalization of Phylogenetic Matching Metrics with Experimental Tests of Practical Advantages
PublikacjaThe ability to quantify a dissimilarity of different phylogenetic trees is required in various types of phylogenetic studies, for example, such metrics are used to assess the quality of phylogeny construction methods and to define optimization criteria in supertree building algorithms. In this article, starting from the already described concept of matching metrics, we define three new metrics for rooted phylogenetic trees. One...
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Possible quadrupole-order-driven commensurate-incommensurate phase transition in B20 CoGe
PublikacjaThe B20-type cobalt germanide CoGe was investigated by measuring the specific heat, resistivity, and 59Co nuclear magnetic resonance (NMR).We observed a phase transition at TQ = 13.7 K, evidenced by a very narrow peak of the specific heat and sharp changes of the nuclear spin-spin (T −1 2 ) and spin-lattice (T −1 1 ) relaxation rates. The fact that the entropy release is extremely small and the Knight shift is almost independent...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublikacjaDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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Structural and physico-mechanical properties of natural rubber/GTR composites devulcanized by microwaves: Influence of GTR source and irradiation time
PublikacjaGround tire rubber from car and truck was modified using microwave irradiation at variable time. The irradiated ground tire rubber was used as filler in composites based on natural rubber. The composites, with high content of ground tire rubber, were prepared using an internal batch mixer and subsequently cross-linked at 160℃. The influence of the ground tire rubber source (car/truck) and irradiation time on structure, physico-mechanical...
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New coordination polymers based on a V-shaped ligand and lanthanides: Structural description and symmetry-luminescence correlation using europium as a probe
PublikacjaWe have synthesized new luminescent coordination polymers using 4,4'-sulfonyldibenzoic acid (H2SDA) and several lanthanide ions by open crystallization in DMF. Three different 1-D structures were obtained, as determined by single-crystal X-ray diffraction: [La(η2-NO3)(μ-SDA)(DMF)3]n (1), [Sm(η2-NO3)(μ-SDA)(DMF)2 2DMF]n (3), [Ln(η2-NO3)(μ-SDA)(DMF)2 DMF]n (Ln ¼ Eu (4), Dy (5), Ho (6), Er (7), Tm (8) and Lu(9)). A 2-D structure,...
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Qualitative analysis of phospholipids and their oxidised derivatives – used techniques and examples of their applications related to lipidomic research and food analysis
PublikacjaPhospholipids (PLs) are important biomolecules that not only constitute structural building blocks and scaffolds of cell and organelle membranes, but also play a vital role in cell biochemistry and physiology. Moreover, dietary exogenous PLs are characterized by high nutritional value and other beneficial health effects, which are confirmed by numerous epidemiological studies. For this reason, PLs are of high interest in lipidomics...
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Ni-WC/Al2O3 and Ni-WC/MgWO4/MgAl2O4 catalysts for resource recovery via pyrolysis combined with the dry reforming of plastics (PCDR)
PublikacjaPlastic waste (PW) is currently one of an environmental threat. Despite the increasing share of recycled plastics, their disposal remains high. Therefore, there is a high demand for new PW management systems. Among them, pyrolysis combined with dry reforming (PCDR) is an advantageous solution because it allows for resource recovery in the form of gas and liquid fuels, with simultaneous utilization of CO2. To date, catalysts based...
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Investigation of changes in the type B PLC effect of Al–Mg–Cu type alloy for various strain rates
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Investigation of changes in the type B PLC effect of Al-Mg-Cu type alloy for various strain rates
PublikacjaEfekt Portevina-LeChateliera ujawnia się w postaci skokowych zmian naprężenia w trakcie procesu odkształcenia próbek pewnych stopów. Zjawisko PLC występuje w kilku odmianach charakteryzujących się istotnymi różnicami zarówno w przestrzennym rozkładzie pasm odkształcenia jak też przebiegu krzywej naprężeniowej. Przebiegi odpowiadające różnym odmianom serration charakteryzują się odmiennymi właściwościami rozkładu energetycznego...
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Long range molecular dynamics study of regulation of eukaryotic glucosamine-6-phosphate synthase activity by UDP-GlcNAc
PublikacjaGlucosamine-6-phosphate (GlcN-6-P) synthase catalyses the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5' diphospho N-acetyl-D-glucosamine (UDPGlcNAc), is an essential substrate for assembly of bacterialand fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which makes it a potential target...
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Synthesis, crystal structure and spectroscopic characterization of new anionic iridium(III) complexes and their interaction with biological targets
PublikacjaThe synthesis and characterisation of new anionic iridium(II) complexes (NH4)2[IrCl4(κ2N,N’-H2biim)]2 · 5H2O (1) and ((CH3)2NH2)[IrCl4(κ2N,N’-PyBIm)] · H2O (2) are presented in this article. Spectroscopic methods (1H, 13C and 15N NMR, FTIR, UV-Vis) were used to characterize these new complexes. Solid-state structural analysis (SC-XRD) of complexes 1 and 2 shows a slightly distorted octahedral geometry of Ir(III) ions, which is...
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The impact of thermomechanical and chemical treatment of waste Brewers’ spent grain and soil biodegradation of sustainable Mater-Bi-Based biocomposites
PublikacjaDue to the massive plastic pollution, development of sustainable and biodegradable polymer materials is crucial to reduce environmental burdens and support climate neutrality. Application of lignocellulosic wastes as fillers for polymer composites was broadly reported, but analysis of biodegradation behavior of resulting biocomposites was rarely examined. Herein, sustainable Mater-Bi-based biocomposites filled with thermomechanically-...
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Molecular Recognition in Complexes of TRF Proteins with Telomeric DNA
PublikacjaTelomeres are specialized nucleoprotein assemblies that protect the ends of linear chromosomes. In humans and many other species, telomeres consist of tandem TTAGGG repeats bound by a protein complex known as shelterin that remodels telomeric DNA into a protective loop structure and regulates telomere homeostasis. Shelterin recognizes telomeric repeats through its two major components known as Telomere Repeat-Binding Factors, TRF1...
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FeS-based nanocomposites: A promising approach for sustainable environmental remediation – Focus on adsorption and photocatalysis – A review
PublikacjaPopulation expansion, industrialization, urban development, and climate changes increased the water crisis in terms of drinking water availability. Among the various nanomaterials for nanoremediation towards water treatment, FeS-based nanocomposites have emerged as promising candidates in the adsorptive and photocatalytic removal of contaminants. This paper, therefore, evaluates the potential of FeS-based nanocomposites for environmental...
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Tensile test of 1.4307 / X2CrNi18-9 / AISI 304L grade austenitic steel
Dane BadawczeShip structures and their components are build mainly of steel. Hull steel is used to build the hull structure. Some structural elements, such as RSW (Refrigerated See Water) tanks, or LNG (Liquid Natural Gas) tanks - gas transported at temperatures below -162° C, are build from austenitic steels. Austenitic steels have a different microstructure and...
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Tensile test of 1.4541 / X6CrNi18-10 / AISI 321 grade austenitic steel
Dane BadawczeShip structures and their components are build mainly of steel. Hull steel is used to build the hull structure. Some structural elements, such as RSW (Refrigerated See Water) tanks, or LNG (Liquid Natural Gas) tanks - gas transported at temperatures below -162° C, are build from austenitic steels. Austenitic steels have a different microstructure and...
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Tacit Knowledge Sharing and Personal Branding. How to Derive Innovation From Project Teams?
PublikacjaInnovation, relationships, cooperation, and knowledge are key factors which determine a competitive advantage in the networked economy. A network serves as a contemporary form of market process coordination. Network economy, according to the idea of prosumerism, is founded on collaboration of individual creators based on a network of values instead of hierarchical dependencies. Another feature of a network is that it imposes symmetry...
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Tensile test of 1.4571 / X6CrNiMoTi17-12-2 / AISI 316Ti grade austenitic steel
Dane BadawczeShip structures and their components are build mainly of steel. Hull steel is used to build the hull structure. Some structural elements, such as RSW (Refrigerated See Water) tanks, or LNG (Liquid Natural Gas) tanks - gas transported at temperatures below -162° C, are build from austenitic steels. Austenitic steels have a different microstructure and...
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Chemical and biological stability of polyene macrolides
PublikacjaThe polyene macrolide antibiotics have been used in an-tifungal therapy since first o f them were discovered in 1950's. Up to now, four polyene macrolides are being used in medical practice, namely amphotericin B, nystatin, candi-cidin and pimaricin.The antifungal activity and mode of ac-tion of polyene macrolides is determined by their structure, chemical and physical properties.The main fragment of polyene...
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L1 Cell Adhesion Molecule Overexpression Down Regulates Phosphacan and Up Regulates Structural Plasticity-Related Genes Rostral and Caudal to the Complete Spinal Cord Transection
PublikacjaL1 cell adhesion molecule (L1CAM) supports spinal cord cellular milieu after contusion and compression lesions, contributing to neuroprotection, promoting axonal outgrowth, and reducing outgrowth-inhibitory molecules in lesion proximity. We extended investigations into L1CAM molecular targets and explored long-distance effects of L1CAM rostral and caudal to complete spinal cord transection (SCT) in...
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RS-REMD Protein-GAG Interaction Dataset in CHARMM36m
Dane BadawczeThe dataset includes input files, simulation parameters, and analysis scripts used in Repulsive Scaling Replica Exchange Molecular Dynamics (RS-REMD) simulations to study protein–glycosaminoglycan (GAG) interactions. In this study, the RS-REMD method was applied for molecular docking of GAGs and carbohydrates to selected protein targets. Molecular Mechanics...
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Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ
Dane BadawczeThis dataset contains results of the research on the basis of which the Figures presented in the manuscript entitled "Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ on structural, electrical, and electrochemical properties for potential oxygen electrode of intermediate temperature Solid Oxide Cells" were prepared. A detailed description...
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Structural and luminescence properties of B2O3-Bi2O3+10AlF3 glasses doped with Eu3+/Dy3+ ions
Dane BadawczeThe attached data contains the results of measurements of B2O3-Bi2O3 and B2O3-Bi2O3+10AlF3 glasses doped with Eu3+ and Dy3+ ions in different molar ratios. Glasses were synthesized by the melt quenching technique. On their basis, the structural, optical, and luminescence properties of synthesized samples were characterized. The dataset includes XRD,...
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XRD for MoS2-Carbon Based Materials
Dane BadawczeThe presented data showcases the results of XRD analysis conducted on molybdenum sulfide modified with carbon. The MoS2-carbon base materials were prepared via a facile hydrothermal method. Structural characterization confirmed the successful incorporation of carbon into the MoS2 support. XRD was recorded using an X-ray diffractometer (Philips X”Pert...
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Guided wave propagation signals measured on corroded stiffened panels
Dane BadawczeThe fundamental antisymmetric Lamb mode was excited by piezoelectric transducers attached at the pre-selected points on stiffened panels, representing typical structural ship components. The specimens were exposed to accelerated marine corrosion degradation, so the signals were collected to analyze the influence of the degree of degradation on the wave...
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The luminescence study of Ga1.98–xAlxO3:0.02Cr3+ coumpounds.
Dane BadawczeA chemical and mechanical pressure-induced photoluminescence tuning method was developed through structural evolution and hydrostatic pressure involving phase transition. A series of Ga1.98−xAlxO3:0.02Cr3+ phosphors were synthesized by collaborators from National Taiwan University. Structural evolution reveals a crystal phase change with the incorporation...
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Molecularly targeted nanoparticles: an emerging tool for evaluation of expression of the receptor for advanced glycation end products in a murine model of peripheral artery disease
PublikacjaAbstract Background: Molecular imaging with molecularly targeted probes is a powerful tool for studying the spatio-temporal interactions between complex biological processes. The pivotal role of the receptor for advanced glycation end products (RAGE) in numerous pathological processes, aroused the demand for RAGE targeted imaging in various diseases. In the study, we evaluated the use of a diagnostic imaging agent for RAGE quantification...
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Coarse-grained simulation - an efficient approach for studying motions of large proteins
PublikacjaOne of the most important challenges in performing Molecular Dynamics (MD) simulations of large protein complexes is to accommodate the model accuracy and the simulation timescale. Hitherto, for the most relevant dynamics of protein aggregates in an explicit aqueous environment, the timescale reachable for the all-atoms simulations is of hundreds of nanoseconds. This range is four to six orders of magnitude smaller than processes...
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Mariusz Figurski prof. dr hab. inż.
OsobyDyrektor Centrum Modelowania Meteorologicznego Instytut Meteorologii i Gospodarki Wodnej - Państwowy Instytut Badawczy. Urodził się 27 kwietnia 1964 roku w Łasinie. Egzamin maturalny złożył w 1983 roku po ukończeniu II Liceum Ogólnokształcącego im. Jana III Sobieskiego w Grudziądzu, Studia wyższe w trybie indywidualnym ukończył w 1989 (10.07.1989) na Wydziałach Elektromechanicznym i Inżynierii Lądowej i Geodezji Wojskowej Akademii...
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SEM examination of surface layer of C45 steel after grinding on defferent depth
Dane BadawczeFerrite examination for the medium carbon structural steel with low content of Mn, Si, Cu, Cr and Ni after its grinding to a depth of 2 µm, 8 µm, 14 µm and 20 µm, at constant wheel circumferential speed of vs = 25 m/s and constant feed rate vft = 1 m/min. It was shown that the grinding of C45 steel causes strong work hardening of ferrite in surface...
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XRD for molybdenum sulfide modified with nickel or platinum nanoparticles
Dane BadawczeThe presented data showcases the results of XRD analysis conducted on molybdenum sulfide modified with nickel or platinum nanoparticles . The MoS2 was prepared on the TiO2 nanotube substrates via a facile hydrothermal method, followed by the deposition by magnetron sputtering of Ni or Pt nanoparticles on the MoS2 surface. Structural characterization...
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Luminescence of TeO2:Eu thin films
Dane BadawczeTellurium dioxide doped by europium thin films were deposited by magnetron sputtering method and simultaneously heated at 200 oC. Presence of Eu ions and their valence states was confirmed by X-ray photoemission spectroscopy measurements. The structure of the films as well as the influence of europium dopant on crystalline structure of the films was...
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Mathematical and numerical modelling,W,IDE-EMSS,IIst,sem.01,lato,2023/24 (PG_00057379)
Kursy OnlineModelling of controlled mechanical systems by the mixed method of rigid and flexible finite elements: The finite element volume problems. Dynamics of multibody systems. Modelling of stationary closed loop systems. Modelling of systems whose configuration changes with time. Modelling of nonlinear controlled systems. Optimal control at energy performance index: Control of continuous nonstationary systems in domain of generalised...
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Mathematical and Numerical Modelling, L, IDE IInd, sem.01, summer, 2022/23(00057379)
Kursy OnlineModelling of controlled mechanical systems by the mixed method of rigid and flexible finite elements: The finite element volume problems. Dynamics of multibody systems. Modelling of stationary closed loop systems. Modelling of systems whose configuration changes with time. Modelling of nonlinear controlled systems. Optimal control at energy performance index: Control of continuous nonstationary systems in domain of generalised...
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Chemical and structural studies of screen-printed carbon electrodes (SPCE) with boron-doped diamond foils
Dane BadawczeThis dataset contains chemical analyses and structural studies by XPS and Raman spectroscopy, carried out for SPCE containing boron-doped diamond BDD foils done with scanning electron microscope. Different points for XPS analysis mark different electrode spots: A) working electrode, B) reference electrode, C) counter electrode, D) pads.