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Wyniki wyszukiwania dla: HOST-GUEST INTERACTION
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Uncertainty of antioxidant profiling in complex mixtures using liquid chromatography involving post-column derivatisation
PublikacjaThe main goal of this paper is to discuss the problems associated with antioxidant profiling in complex samples using a high-throughput HPLC system coupled with post-column derivatisation reactor. Based on the experimental data reported in the literature, we demonstrated that improper optimisation of temperature and/or pH assay conditions performed using an on-line derivatisation reactor may substantially change the antioxidant...
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Dynamic analysis of the railway bridge span under moving loads
PublikacjaThe first part of this paper provides a review of the state of knowledge of the dynamic behaviour of railway bridges under moving loads. Particular attention is paid to developments in modelling railway bridge loading and dynamic vehicle-span (structure) interaction. The most important aspects determining the advancements in this area of knowledge are identified. The contemporary techniques for defining bridge span finite element...
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Profiling and Qualitative Assessment of Enzymatically and Thermally Oxidized Egg Yolk Phospholipids using a Two‐Step High‐Performance Liquid Chromatography Protocol
PublikacjaA two‐step high‐performance liquid chromatography (HPLC) method for the profiling and qualitative assessment of oxidized phospholipids (oxPL) present in foods was developed. The applicability of the investigated two‐step HPLC protocol was verified for separation of enzymatically and thermally oxidized hen egg yolk phospholipids (PL) as a relevant food model. In the first step, seven individual PL classes were separated using hydrophilic...
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Structural properties of foil bearings: a closed-form solution validated with finite element analysis
PublikacjaFluid film thickness in a compliant foil bearing is greatly influenced by the deflection of the bearing structure. Therefore, in order to properly model performance of a foil bearing, it is mandatory that the deflection of the compliant bearing structure due to the generated hydrodynamic pressure is determined accurately. This article proposes an easy-to-use two-dimensional model, which takes into account detailed geometry of the...
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10-Methyl- and 9,10-dimethyl acridinium methyl sulfate
PublikacjaThe title compounds, C(14)H(12)N(+).CH(3)O(4)S(-), (I), and C(15)H(14)N(+).CH(3)O(4)S(-), (II), respectively, crystallize with the planar 10-methylacridinium or 9,10-dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 2(1) axis in (II). Adjacent cations in both compounds are packed in a 'head-to-tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II)....
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Chat GPT Wrote It: What HCI Educators Can Learn from their Students?
PublikacjaRecently students, teachers, and researchers equally have become impressed by Generative AI (GenAI) tools, with ChatGPT at the top. However, numerous concerns about the GenAI-related threats to academic integrity and the validity of learning outcomes are emerging. This problem is also vivid in Human-Computer Interaction (HCI) education since students can use GenAI tools to rapidly generate ideas, user interface templates, screen...
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublikacjaDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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COMPUTER-AIDED CONSTRUCTION AT DESIGNING REINFORCED CONCRETE COLUMNS AS PER EC
PublikacjaThe article presents the author’s computer program for designing and dimensioning columns in reinforced concrete structures taking into account phenomena affecting their behaviour and information referring to design as per EC. The computer program was developed with the use of C++ programming language. The program guides the user through particular dimensioning stages: from introducing basic data such as dimensions, concrete...
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Structure and paramagnetism in weakly correlated Y8Co5
PublikacjaWe report the basic physical properties of monoclinic Y8Co5 determined by means of magnetic susceptibility, electrical resistivity, and specific heat measurements. The crystal structure of Y8Co5 is monoclinic (P21/c) with lattice parameters a = 7.0582(6) Å, b = 7.2894(6) Å, c = 24.2234(19) Å, and β = 102.112(6)° as refined by using synchrotron powder x-ray diffraction data. The compound shows temperature independent paramagnetism...
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Physical properties and electronic structure of La3Co and La3Ni intermetallic superconductors
PublikacjaLa3Co and La3Ni are reported superconductors with transition temperatures of 4.5 and 6 K, respectively. Here, we reinvestigate the physical properties of these two intermetallic compounds with magnetic susceptibility χ, specific heat Cp and electrical resistivity ρ measurements down to 1.9 K. Although bulk superconductivity is confirmed in La3Co, as observed previously, only a trace of it is found in La3Ni, indicating that the...
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On local buckling of cold-formed channel members
PublikacjaThe paper deals with local buckling of the compressed flanges of cold-formed thin-walled channel beams subjected to pure bending or axially compressed columns. Arbitrarily shaped flanges of open cross-sections and the web-flange interactions are taken into account. Buckling deformation of a beam flange is described by displacement related to torsion of the flange about the line of its connection with the web. Total potential energy...
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Synergistic effects in micellization and surface tension reduction in nonionic gemini S-10 and cationic RTAB surfactants mixtures
PublikacjaMixtures of nonionic gemini surfactant S-10 (α,α′-[2,4,7,9-tetrametyl-5-decyne-4,7-diyl]bis[ω-hydroxy -polioxyetylene] with cationic alkyltrimethylammonium bromides of different alkyl chain length (RTAB) were investigated. Basing on surface tension measurements the cmc values and other adsorption parameters were found. The Clint, Rubing’s and Rosen theories were applied for evaluation of the synergistic effects in mixed films and...
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Acoustic heating produced in resonators filled by a newtonian fluid
PublikacjaAcoustic heating in resonators is studied. The governing equation of acoustic heating is derived by means of the special linear combination of conservation equations in differential form, allowing the reduction of all acoustic terms in the linear part of the final equation, but preserving terms belonging to the thermal mode responsible for heating. This equation is instantaneous and includes nonlinear acoustic terms that form a...
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Precipitation and Transformation of Vaterite Calcium Carbonate in the Presence of Some Organic Solvents
PublikacjaIn this paper, the production of CaCO3 particles via the carbonation route in the reaction of CaCl2 and CO2, using NH3 as a promoter of CO2 absorption, was studied. The solvents used as the reaction media for CaCO3 precipitation were aqueous solutions of methanol, isopropanol and dimethyl sulfoxide (DMSO), in a concentration range of 0–20% (v/v). It was found that the presence of an organic additive influenced the precipitation...
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Novel chalcone-derived pyrazoles as potential therapeutic agents for the treatment of non-small cell lung cancer
PublikacjaLung cancer is considered to account for approximately one-fifth of all malignant tumor-related deaths worldwide and is therefore one of the most lethal malignancies. Pyrazole scaffold possesses a wide range of biological and pharmacological activities, which play important roles in medicinal chemistry. The present study reports the synthesis and in vitro biological characterization of nine pyrazoles derived from chalcones as potential...
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Thermophysical study of the binary mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide – Experimental and theoretical approach
PublikacjaDensities at (293.15, 298.15, 303.15 and 308.15) K, and viscosities and ultrasonic velocities at 298.15 K of binary liquid mixtures of triethyl phosphate with N-methylformamide, N,N-dimethylformamide and N,N-dimethylacetamide have been measured over the entire range of composition at p = 0.1 MPa. From the experimental data, values of excess molar volume, excess isentropic compressibility, viscosity deviation and excess Gibbs energy...
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Enhancement of the Magnetic Coupling in Exfoliated CrCl 3 Crystals Observed by Low‐Temperature Magnetic Force Microscopy and X‐ray Magnetic Circular Dichroism
PublikacjaMagnetic crystals formed by 2D layers interacting by weak van der Waals forces are currently a hot research topic. When these crystals are thinned to nanometric size, they can manifest strikingly different magnetic behavior compared to the bulk form. This can be the result of, for example, quantum electronic confinement effects, the presence of defects, or pinning of the crystallographic structure in metastable phases induced by...
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Investigation of the Effects of Tool Positioning Factors on Peak Temperature in Dissimilar Friction Stir Welding of AA6061-T6 and AA7075-T6 Aluminum Alloys
PublikacjaAmong the emerging new welding techniques, friction stir welding (FSW) is used frequently for welding high-strength aluminum alloys that are difficult to weld by conventional fusion-welding techniques. This paper investigated the effects of tool-positioning factors on the maximum temperature generated in the dissimilar FSW joint of AA6061-T6 and AA7075-T6 aluminum alloys. Three factors of plunge depth, tool offset, and tilt angle...
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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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Low-Barrier Hydrogen Bond Determines Target-Binding Affinity and Specificity of the Antitubercular Drug Bedaquiline
PublikacjaThe role of short strong hydrogen bonds (SSHB) in ligand-target binding remains largely unexplored, thereby hin- dering a potentially important avenue in the rational drug de- sign. Here, we investigate the interaction between bedaquiline (Bq), a potent anti-tuberculosis drug, and the mycobacterial ATP synthase, to unravel the role of a specific hydrogen bond to a conserved acidic residue in the target affinity and specificity....
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Investigating Fuel Injection Strategies to Enhance Ship Energy Efficiency in Wave Conditions
PublikacjaThe prediction of fuel consumption and resulting transportation costs is a crucial stage in ship design, particularly for conditions involving motion in waves. This study investigates the real-time fuel consumption of a container ship when sailing in waves. The overall ship performance is evaluated using a novel non-linear coupled hull-engine-propeller interaction model. A series of towing tank experiments for hull resistance in...
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Interplay between Aryl···Perfluoroaryl and Hydrogen Bonding Interactions in Cocrystals of Pentafluorophenol with Molecules of Trigonal Symmetry
PublikacjaCocrystals of seven star-shaped triaryl compounds with pentafluorophenol (pfp) were prepared and structurally characterized by the single-crystal X-ray diffraction method. Cocrystallization of pfp with planar (or almost planar) compounds gave six 3:1 molecular complexes with well-defined layered structures. The layers are composed of alternating pfp3 trimers, linked by hydrogen bonding, and triaryl molecules held together in planes...
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Optimization of parallel implementation of UNRES package for coarse‐grained simulations to treat large proteins
PublikacjaWe report major algorithmic improvements of the UNRES package for physics-based coarse-grained simulations of proteins. These include (i) introduction of interaction lists to optimize computations, (ii) transforming the inertia matrix to a pentadiagonal form to reduce computing and memory requirements, (iii) removing explicit angles and dihedral angles from energy expressions and recoding the most time-consuming energy/force terms...
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Preparatory Railway Track Geometry Estimation Based on GNSS and IMU Systems
PublikacjaThe article discusses an important issue of railway line construction and maintenance, which fundamentally is the verification of geometric parameters of the railway track. For this purpose, mobile measurements have been performed using a measuring platform with two properly arranged GNSS receivers, which made it possible to determine the base vector of the platform. The measuring functionality of the system was extended by IMU....
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Advances in analysis, quantification and modelling of N2O emission in SBRs under various DO set points
PublikacjaNitrous oxide (N2O), considered a major greenhouse gas (GHG) in wastewater treatment plants (WWTPs), is produced during both nitrification and denitrification processes; hence, it needs to be controlled by internal and external strategies. Various factors, such as DO, temperature, and pH, could be incorporated into the mitigation of emissions in WWTPs. In this research, potential operational strategies were investigated in order...
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Evaluation of VSC Impact on Power System Using Adequate P-Q Capability Curve
PublikacjaRenewable energy sources, which are becoming increasingly popular, often use a voltage source converter (VSC) for connection to the power system. Assessing the effects of connecting such a source to the power system is essential to ensure the proper operation of the power system and the connected source. For this purpose, it is necessary to know the range of active and reactive power generation by the converter. The authors indicate...
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Mechanical Properties of Twisted Carbon Nanotube Bundles with Carbon Linkers from Molecular Dynamics Simulations
PublikacjaThe manufacturing of high-modulus, high-strength fibers is of paramount importance for real-world, high-end applications. In this respect, carbon nanotubes represent the ideal candidates for realizing such fibers. However, their remarkable mechanical performance is difficult to bring up to the macroscale, due to the low load transfer within the fiber. A strategy to increase such load transfer is the introduction of chemical linkers...
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The Method of Selecting the Interval of Functional Tests Taking into Account Economic Aspects and Legal Requirements
PublikacjaThe article discusses the problem of choosing the optimal frequency of functional tests, taking into account the reliability and law requirements, but also the impact of business aspects in the company. The subject of functional test interval is well described for purposes of the process industry. Unfortunately, this is not the case for the machinery safety functions with low demand mode. This is followed by a presentation of the...
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Software Factory project for enhancement of student experiential learning
PublikacjaProviding opportunities for students to work on real-world software development projects for real customers is critical to prepare students for the IT industry. Such projects help students to understand what they will face in the industry and experience real customer interaction and challenges in collaborative work. To provide this opportunity in an academic environment and enhance the learning and multicultural teamwork experience,...
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Galvanostatic impedance measurements for the efficient adsorption isotherm construction in corrosion inhibitor studies
PublikacjaWe present an approach towards an accurate and time-efficient adsorption isotherm determination to evaluate the corrosion inhibitor interaction in electrolytic environments. The approach is based on dynamic impedance spectroscopy measurements in galvanostatic mode (g-DEIS). The studied corrosion inhibitor is continuously injected between the secondary cell and the corrosion cell. The efficiency corresponding to instantaneous inhibitor...
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Deep eutectic solvents based highly efficient extractive desulfurization of fuels – Eco-friendly approach
PublikacjaThe developed process is based on alternative, green and cheap solvents for efficient desulfurization of fuels. Several deep eutectic solvents (DESs) were successfully synthesized and studied as extraction solvents for desulfurization of model fuel containing thiophene (T), benzothiophene (BT) and dibenzothiophene (DBT). The most important extraction parameters (i.e. kind of DES, DES: fuel volume ratio, hydrogen bond acceptor:...
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A method of Functional Test interval selection with regards to Machinery and Economical aspects
PublikacjaThis paper discusses the problem of choosing the optimal frequency of functional test, including the reliability calculations and production efficiency, but also the effect of company risk management. The proof test as a part of the functional test interval is well described for the process industry. Unfortunately, this situation is not the case for the machinery safety functions with low demand mode. Afterwards, it is presented...
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Utilization of the zero unitarization method for the building of a ranking for diagnostic marine engine parameters
PublikacjaChanging some of the parameters of the engine structure affects the emission of harmful components in the exhaust gases This primarily concerns damage in the cargo exchange system as well as in the fuel system and engine boost system. Changes in emissions of harmful compounds are often ambiguous, depending largely on the parameters that shape the combustion process. An additional problem is that often simple but undesired interactions...
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Novel complexes possessing Hg–(Cl, Br, I)⋯O=C halogen bonding and unusual Hg₂S₂(Br/I)₄ kernel. The usefulness of τ₄′ structural parameter
PublikacjaOne mononuclear and two binuclear Hg(II) complexes have been synthesized and characterized by X-ray diffraction, ATR IR and Hirshfeld surface analysis. Single-crystal X-ray diffraction showed that binuclear compounds are centrosymmetric and isostructural. All complexes form bifurcated intermolecular N–H···O hydrogen bonds that contribute to a formation of the centrosymmetric dimers. In binuclear complexes, sulfur atoms of thiourea...
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Cure Index demonstrates curing of epoxy composites containing silica nanoparticles of variable morphology and porosity
PublikacjaAn image was taken by Cure Index on curability of epoxy with silica nanoparticles having variable morphology and porosity. Three kinds of silica nanoparticles with non-porous curved-rod, non-porous spherical, and mesoporous spherical microstructures were synthesized and characterized by Fourier-transform infrared spectroscopy, scanning electron microscopy (SEM) and Brunauer–Emmett–Teller analyses. Epoxy nanocomposites containing...
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Highly Active TiO2 Microspheres Formation in the Presence of Ethylammonium Nitrate Ionic Liquid
PublikacjaSpherical microparticles of TiO2 were synthesized by the ionic liquid-assisted solvothermal method at different reaction times (3, 6, 12, and 24 h). The properties of the prepared photocatalysts were investigated by means of UV-VIS diffuse-reflectance spectroscopy (DRS), Brunauer–Emmett–Teller (BET) surface area measurements, scanning electron microscopy (SEM), X-ray diffraction analysis (XRD), and X-ray photoelectron spectroscopy...
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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublikacjaThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of...
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Theory versus experiment for vacuum Rabi oscillations in lossy cavities
PublikacjaThe 1996 experiment by Brune et al. [Phys. Rev. Lett. 76, 1800 (1996)] on vacuum Rabi oscillation is analyzed by means of alternative models of atom-reservoir interaction. Agreement with experimental Rabi oscillation data can be obtained if one defines jump operators in the dressed-state basis and takes into account thermal fluctuations between dressed states belonging to the same manifold. Such low-frequency transitions could...
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Interfacial adhesion evaluation in (low-density polyethylene)/elastomer blends
PublikacjaLow-density polyethylene (LDPE) with different elastomers at a ratio of 50/50 wt% blends was prepared by using a co-rotating twin-screw extruder. Three kinds of elastomers were used: ground tire rubber (GTR), partially crosslinked butyl rubber (KalarVR ), and styrenebutadiene- rubber block copolymer (SBS; KratonVR ). For better characterization of interaction between polyethylene and elastomer, influence of the type of elastomer on...
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Application of cyanated asphaltenes in gas-phase adsorption processes for removal of volatile organic compounds
PublikacjaThe paper presents an innovative, chemically modified (methylcyanated) asphaltene-based adsorbent that can be an inter-esting low-cost alternative for traditional adsorbents. Adsorption properties of adsorbents were examined by inverse gas chromatography technique, adsorption isotherms, and breakthrough curves. A significant increase in retention volume for pyridine, 2-pentanone, nitropropane, toluene, and 1-butanol was observed....
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Low-Dimensional Magnetic Semimetal Cr0.65Al1.35Se3
PublikacjaWhile exploring novel magnetic semiconductors, the new phase Cr0.65Al1.35Se3 was discovered and characterized by both structural and physical properties. Cr0.65Al1.35Se3 was found to crystallize into orthorhombic CrGeTe3-type structure with space group Pnma (no. 62). Vacancies and mixed occupancies were tested, and the results show that one of the 4c sites accommodates a mixture of Cr and Al atoms, while the other 4c site is fully...
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Pressure effects on the electronic structure and superconductivity of (TaNb)0.67(HfZrTi)0.33 high entropy alloy
PublikacjaEffects of pressure on the electronic structure, electron-phonon interaction, and superconductivity of the high entropy alloy ( TaNb ) 0.67 ( HfZrTi ) 0.33 are studied in the pressure range 0–100 GPa. The electronic structure is calculated using the Korringa-Kohn-Rostoker method with the coherent potential approximation. Effects of pressure on the lattice dynamics are simulated using the Debye-Grüneisen model and the Grüneisen...
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Phytochemical composition and biological activities of differently pigmented cabbage (Brassica oleracea var. capitata) and cauliflower (Brassica oleracea var. botrytis) varieties
PublikacjaBACKGROUND:Brassica plants contain awide spectrumofbioactive components that are responsible for their health-promoting potential such as vitamins, polyphenols and glucosinolates. This study attempted to relate the composition of bioactive phytochemicals and chosen biological activities (antioxidant, cytotoxic, anti-genotoxic, and influence on enzymatic activities) for extracts from differently pigmented cabbage (white and red)...
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Application of quartz crystal microbalance and dynamic impedance spectroscopy to the study of copper corrosion inhibitors
PublikacjaThe study investigates the application of Dynamic Electrochemical Impedance Spectroscopy (DEIS) and Electrochemical Quartz Crystal Microbalance (EQCM) techniques to examine the corrosion inhibition of copper by Benzotriazole and Sodium Folate in a 0.1 M NaCl solution. DEIS, an advanced version of Electrochemical Impedance Spectroscopy (EIS), allows for real-time monitoring of non-stationary electrochemical systems,...
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New ceramic materials derived from pyrolyzed poly(1,2-dimethylsilazane) and starch as a potential anode for Li-ion batteries
PublikacjaNewmaterialswere obtained by pyrolysis of starch (S) and poly(1,2-dimethylsilazane) (PSN) (weight ratio: PSN/S 30/70) at temperature a) 500 °C, b) 700 °C and c) 900 °C. Ceramic materials were characterized by infrared spectroscopy, TGA, Raman spectroscopy and SEM. New Si\O and shifted Si\C stretching vibration modes emerged confirming direct interaction between silicon originating fromsilazane and oxygen coming fromstarch. The...
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Copper(II) complexes with substituted imidazole and chlorido ligands: X-ray, UV-Vis, magnetic and EPR studies and chemotherapeutic potential
PublikacjaCrystal structures, UV-Vis and EPR spectra and magnetic properties of four copper(II) complexes with chloride anions and 4-methylimidazole, 2-ethylimidazole, 2-isopropylimidazole or 2-ethyl-4-methylimidazole are described. In the solid state three of the complexes are mononuclear and one complex with 2-ethylimidazole is binuclear with bridging chlorido ions. UV-Vis spectra of the methanolic solutions of the complexes show LMCT...
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Experimental and Quantum Chemical Evaluation of 8-Hydroxyquinoline as a Corrosion Inhibitor for Copper in 0.1 M HCl
PublikacjaThe corrosion inhibition properties of 8-hydroxyquinoline (8-HQ) in 0.1 M HCl for copper have been investigated by using experimental (electrochemical impedance spectroscopy (EIS), dynamic electrochemical impedance spectroscopy (DEIS), and potentiodynamic polarization) and theoretical methods complemented by surface morphological examination with the aid of scanning electron microscopy (SEM) and electron dispersive X-ray spectroscopy...
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Testing Situation Awareness Network for the Electrical Power Infrastructure
PublikacjaThe contemporary electrical power infrastructure is exposed to new types of threats. The cause of such threats is related to the large number of new vulnerabilities and architectural weaknesses introduced by the extensive use of Information and Communication Technologies (ICT) in such complex critical systems. The power grid interconnection with the Internet exposes the grid to new types of attacks, such as Advanced Persistent...
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A new approach to determination of the two-mass model parameters of railway current collector
PublikacjaThe paper presents two mathematical models of railway current collectors both with two degrees of freedom. The first one, hereinafter Pantograph Articulated Model (PAM), has one degree of freedom in rotational motion and the second degree of freedom in translational motion. The second model, called henceforth as Pantograph Reference Model (PRM), has both degrees of freedom in translational motion. Differential equations of the...
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A new approach to determination of the two-mass model parameters of railway current collector
PublikacjaThe paper presents two mathematical models of railway current collectors both with two degrees of freedom. The first one, hereinafter Pantograph Articulated Model (PAM), has one degree of freedom in rotational motion and the second degree of freedom in translational motion. The second model, called henceforth as Pantograph Reference Model (PRM), has both degrees of freedom in translational motion. Differential equations of the...