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Search results for: BONDING ANALYSIS
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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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Recent Advances in Polymer Nanocomposites: Unveiling the Frontier of Shape Memory and Self-Healing Properties—A Comprehensive Review
PublicationShape memory and self-healing polymer nanocomposites have attracted considerable attention due to their modifiable properties and promising applications. The incorporation of nanomaterials (polypyrrole, carboxyl methyl cellulose, carbon nanotubes, titania nanotubes, graphene, graphene oxide, mesoporous silica) into these polymers has significantly enhanced their performance, opening up new avenues for diverse applications. The...
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On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublicationThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
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Charge-assisted N(+)–H···(−)S hydrogen bonds in the crystal structure of selected diammonium thiophenolates.
PublicationNew salts of thiophenol with three flexible aliphatic diamines H2N(CH2)nNH2 (n = 2, 4 and 6) have been synthesized and characterized by elemental analyses, IR spectroscopy and X-ray crystallography in order to analyze their supramolecular architecture. Structural analyses indicate that in the crystals, proton transfer has occurred, with the –SH group giving (+)N–H···S(−) hydrogen bonding interaction. The structure of compound 1...
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Rheology of polymer blends
PublicationPolymer blends are physical mixtures of two or more homopolymers or copolymers. This type of materials have wide spectrum of technological applications, and their properties are influenced, e.g., by the properties of single components and morphology of final material. The rheology of polymer blends is connected with the processing of polymer blends and is influenced by thermodynamics, morphology, and their evolution during testing....
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Zastosowanie specjalnego uziemienia żył powrotnych w liniach kablowych SN
PublicationW artykule porównano metody uziemiania żył powrotnych kabli średniego napięcia. Głównym kryterium oceny poszczególnych rozwiązań było ograniczenie strat w przesyle energii elektrycznej oraz zapewnienie ochrony przeciwprzepięciowej osłon kabli. Na podstawie symulacji kabli zamodelowanych w programie CYMCAP i otrzymanych wyników obciążalności prądowej i strat w linii zaprezentowano metodę krzyżowania żył powrotnych (CB – cross-bonding...
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Accurate and continuous adhesive fracture energy determination using an instrumented wedge test
PublicationThe wedge test and the related double cantilever beam test are practical methods of assessing structural adhesive fracture energy. In the former, and to a lesser extent the latter, a recognised problem is the difficulty of following the length of the growing crack, required to calculate fracture energy with any accuracy. We present a novel method of measurement of crack length that has the advantages of being accurate and allowing...
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Enhancing the Seismic Resistance of Columns by GFRP Confinement Using Flexible Adhesive-Experimental Study
PublicationIn this paper, the results of two experiments, focused on testing the effectiveness of a method of enhancing the seismic (dynamic) resistance of masonry columns with the use of flexible polymer adhesive, are shown. The first experiment was devoted to investigate the damping properties of a polymer working between two stiff layers, whereas the aim of the second one was to verify if the identified damping properties of the polymer...
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A Quantitative Investigation of Dislocation Density in an Al Matrix Composite Produced by a Combination of Micro-/Macro-Rolling
PublicationAn aluminum matrix composite with dispersed carbon nanotubes (CNTs) was produced via flake powder metallurgy using a micro-rolling process and vacuum hot pressing (VHP), followed by conventional rolling using a macro-rolling process. The microstructure and mechanical properties of the produced composites were studied. In addition, a new quantitative model was introduced to study the dislocation density based on the microstructural...
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Dirac fermions and possible weak antilocalization in LaCuSb2
PublicationLayered heavy-metal square-lattice compounds have recently emerged as potential Dirac fermion materials due to bonding within those sublattices. We report quantum transport and spectroscopic data on the layered Sb square-lattice material LaCuSb2. Linearly dispersing band crossings, necessary to generate Dirac fermions, are experimentally observed in the electronic band structure observed using angle-resolved photoemission spectroscopy,...
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Propensity of salicylamide and ethenzamide cocrystallization with aromatic carboxylic acids
PublicationThe cocrystallization of salicylamide (2-hydroxybenzamide, SMD) and ethenzamide (2-ethoxybenzamide, EMD) with aromatic carboxylic acids was examined both experimentally and theoretically. The supramolecular synthesis taking advantage of the droplet evaporative crystallization (DEC) technique was combined with powder diffraction and vibrational spectroscopy as the analytical tools. This led to identification of eleven new cocrystals...
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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New Tetragonal ReGa5(M) (M = Sn, Pb, Bi) Single Crystals Grown from Delicate Electrons Changing
PublicationSingle crystals of the new Ga-rich phases ReGa~5(Sn), ReGa~5(Pb) and ReGa~5(Bi) were successfully obtained from the flux method. The new tetragonal phases crystallize in the space group P4/mnc (No. 128) with vertex-sharing capped Re2@Ga14 oblong chains. Vacancies were discovered on the Ga4 and Ga5 sites, which can be understood as the direct inclusion of elemental Sn, Pb and Bi into the structure. Heat capacity measurements were...
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Fracture in composite/aluminium joints of variable adhesive properties
PublicationA strain gauge technique recently developed with the wedge test, for estimating crack length and, thus, the fracture energy of structural adhesive bonding, has been employed on a system in which one adherend had two types of surface treatment. Simple polishing and polishing with subsequent sandblasting were the treatments used, with a distinct straight line, perpendicular to the sample edges, separating the two. Despite the clear-cut...
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Optimisation and field assessment of poroelastic wearing course bond quality
PublicationCompared to typical asphalt mixtures, poroelastic mixtures are characterised by high porosity and high flexibility, which are desirable for traffic noise reduction. However, the same properties increase the risk of debonding from the lower layer, which is a significant source of premature damage. The study investigates which of the factors – tack coat agent, type and texture of the lower layer – have the greatest impact on interlayer...
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In-Situ Processing of Biocomposites via Reactive Extrusion
PublicationLaw regulations, economic and environmental factors are the main causes for the rapidly growing interests in biocomposites’ research, conducted currently in a number of academic and industrial scientific centers. However, weak polymer matrix/filler interactions, common in biocomposites, result in unsatisfactory mechanical properties, which limit their practical applications. From many attempts performed to solve this problem, in-situ...
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A magnetic stir bar sorbent of metal organic frameworks, carbon foam decorated zinc oxide and cryogel to enrich and extract parabens and bisphenols from food samples
PublicationA porous composite magnetic stir bar adsorbent was fabricated for the extraction and enrichment of parabens and bisphenols from selected beverage samples. The adsorbent comprised a metal organic framework, carbon foam decorated zinc oxide and magnetic nanoparticles embedded in polyvinyl alcohol cryogel. The porous composite stir bar adsorbent could adsorb parabens and bisphenols via hydrogen bonding, π-π and hydrophobic interactions....
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COMPOSITE MATERIAL SELECTION FOR A PATIENT TRANSFER ASSIST DEVICE
PublicationLaminates - layered composites containing at least two elements (matrix and reinforcement) widely used in industry have also found their usage in medicine. Their main feature is the ability to modify the material in order to obtain the required properties. Depending on the needs, we can modify reinforcement, type of resin or the method of bonding substrates. Commonly used fibers are: carbon fiber, glass and aramid fibers; resins...
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New uranium(vi) and isothiouronium complexes: synthesis, crystal structure, spectroscopic characterization and a DFT study
PublicationThe crystal structures of S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) diacetate (1_ac), S,S′-2,5-dimethylbenzene-1,4-diylbis(methylisothiouronium) dichloride (1_Cl), 1_U complex, S,S′-naphthalene-1,4-diylbis(methylisothiouronium) dichloride (2_Cl), and 2_U complex were determined for the first time. The supramolecular structures of the compounds obtained are mainly based on hydrogen bonding and ionic interactions...
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Failure Monitoring and Condition Assessment of Steel-Concrete Adhesive Connection Using Ultrasonic Waves
PublicationAdhesive bonding is increasingly being incorporated into civil engineering applications. Recently, the use of structural adhesives in steel-concrete composite systems is of particular interest. The aim of the study is an experimental investigation of the damage assessment of the connection between steel and concrete during mechanical degradation. Nine specimens consisted of a concrete cube and two adhesively bonded steel plates...
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Why Are Left-Handed G-Quadruplexes Scarce?
PublicationG-quadruplexes (G4s) are nucleic acid structures crucial for the regulation of gene expression and genome maintenance. While they hold promise as nanodevice components, achieving desired G4 folds requires understanding the interplay between stability and structural properties, like helicity. Although right-handed G4 structures dominate the experimental data, the molecular basis for this preference over left-handed helicity is unclear....
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Guided wave propagation in debonding detection in CFRP-reinforced steel plate-like structures
PublicationThe present study investigates the guided wave propagation in multilayered steel specimens reinforced with carbon fiber reinforced polymer (CFRP) through theoretical, numerical, and experimental means. The effectiveness of externally bonded reinforcement (EBR) relies heavily on the bonding quality between the CFRP and the substrate. Premature debonding, a prevalent and hazardous defect, can arise from suboptimal manufacturing processes,...
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New matrix-free reference material for ethene in the form of optical fibres
PublicationReference materials are indispensable in the qualitycontrol and quality assurance of analytical measurements. Onenovel approach to the generation of standard gaseous mixturesof toxic, reactive, volatile, labile, and malodorous substancesinvolves thermal decomposition or rearrangement, under definedtemperature conditions, of compounds immobilized, bychemical bonding, on the surface of an appropriate carrier torelease specific amounts...
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Chemical surface etching methods for ground tire rubber as sustainable approach for environmentally-friendly composites development– a review
PublicationGround tire rubber (GTR) has been used as a sustainable low-cost modifier in various composites. However, due to the hydrophobic nature of GTR, it is in compatible with most matrices and results in deterioration in both mechanical and physical properties of composites. This necessitates pre-modification of the powdered rubber to improve the interfacial bonding at the rubber-matric interface. The most common GTR modification research...
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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
PublicationDensities 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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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublicationA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Experimental study on polymer mass used to repair damaged structures
PublicationA new method of repairing damaged structures by injecting the cracks with specially designed polymer mass (flexible two-component grout based on polyurethane resin) has been recently proposed. The technique is mainly dedicated to damaged masonries, especially historical structures where minimum intervention is permitted. The cracks are filled with the special injection, forming the flexible joints bonding the disrupted structural...
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Novel Functionalization of Boron-Doped Diamond by Microwave Pulsed-Plasma Polymerized Allylamine Film
PublicationWe report the novel modification of a hydrogen-terminated polycrystalline boron-doped electrode with a microwave pulsed-plasma polymerized allylamine. Boron-doped diamond (BDD) was coated with a very thin layer of adherent cross-linked, pinhole- and additive-free allylamine plasma polymer (PPAAm) resistant to hydrolysis and delamination and characterized by a high density of positively charged amino groups. The pulsed microwave...
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Reactive extrusion of bio-based polymer blends and composites – Current trends and future developments
PublicationReactive extrusion is a cost-effective and environmentally-friendly method to produce new materials with enhanced performance properties. At present, reactive extrusion allows in-situ polymerization, modification/functionalization of polymers or chemical bonding of two (or more) immiscible phases, which can be carried out on commonly used extrusion lines. Although reactive extrusion has been known for many years, its application...
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Unprecedented Adhesive Performance of Propylene-Based Hydroxyl Functionalized Terpolymers
PublicationThe synthesis of hydroxyl functionalized propylene-based terpolymers and their performance as hot melt adhesives were investigated. The products comprise uniformly distributed butyl and 4-hydroxyl-butyl branches along the polypropylene backbone. Despite the low hydroxyl-functionality level of ≤ 0.5 mol%, hydroxyl functionalized terpolymers show formidable adhesion to aluminum and steel providing an adhesive strength exceeding 16...
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Further development of the poroelastic road surface within the new Polish project SEPOR
PublicationRoad surfaces have a direct impact on noise generated by rolling tyres, the main and dominant source of noise of moving vehicles. Road surface texture, porosity and stiffness/elasticity govern the pavement contribution to tyre/road noise the most. An experimental PoroElastic Road Surface (PERS) is a wearing course with a high content of interconnected voids (pores) and with an elastic behavior due to the use of small particles...
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Guanosine Dianions Hydrated by One to Four Water Molecules
PublicationIntermolecular interactions such as those present in molecule···water complexes may profoundly influence the physicochemical properties of molecules. Here, we carried out an experimental–computational study on doubly deprotonated guanosine monophosphate···water clusters, [dGMP – 2H]2–·nH2O (n = 1–4), using a combination of negative anion photoelectron spectroscopy (NIPES) with molecular dynamics (MD) and quantum chemical (QM) calculations....
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Simultaneous removal of heavy metals and dyes in water using a MgO-coated Fe3O4 nanocomposite: Role of micro-mixing effect induced by bubble generation
PublicationThis study focused on the development of a nano-adsorbent for contaminant removal without the use of any external energy. An eco-friendly Fe3O4@MgO core-shell nanocomposite was synthesized and tested for the removal of a heavy metal, lead (Pb2+) and a dye, rhodamine B (RhB). The addition of H2O2 into the system enabled the self-mixing of the aqueous solution containing Fe3O4@MgO through the generation of bubbles. This system showed...
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Physical crosslinking of hyaluronic acid in the presence of phospholipids in an aqueous nano-environment
PublicationHyaluronic acid and phospholipids are two components in the synovial joint cavity that contribute to joint lubrication synergistically. Molecular dynamics simulations were performed and hydrogen bonds in hyaluronic acid were analyzed to identify specific sites that are responsible for its physical cross-linking. Two molecular masses of hyaluronic acid, 10 kDa and 160 kDa, were considered. We use molecular dynamics simulations and...
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Oxygen vacancy-enriched V2O5·nH2O nanofibers ink for universal substrates-tolerant and multi means-integratable NH3 sensing
PublicationUniversal substrates-tolerant and multi means-integratable ammonia (NH3) sensing is highly desired in future Internet of Things in environmental monitoring, food security and early diagnosis of human diseases, however, is still less than satisfactory. Here, an oxygen vacancy-governed NH3 sensing has been developed with V2O5·nH2O nanofibers (NFs) ink, via combined thermal decomposition of ammonium metavanadate and dilution. As-obtained...
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Properties of New Composite Materials Based on Hydroxyapatite Ceramic and Cross-Linked Gelatin for Biomedical Applications
PublicationThe main aim of the research was to develop a new biocompatible and injectable composite with the potential for application as a bone-to-implant bonding material or as a bone substitute. A composite based on hydroxyapatite, gelatin, and two various types of commercially available transglutaminase (TgBDF/TgSNF), as a cross-linking agent, was proposed. To evaluate the impacts of composite content and processing parameters on various...
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Low-strain sensor based on the flexible boron-doped diamond-polymer structures
PublicationA free-standing high boron-doped diamond nanosheet (BDDNS) has been fabricated for the development of a flexible BDDNS strain senor. High boron-doped diamond was initially grown on a tantalum substrate in a microwave plasma-assisted chemical vapor deposition method, and was then transferred to a Kapton polymer substrate to fabricate the flexible BDDNS/Kapton device. Before performing the transfer process, the thin BDDNS’s morphology...
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Direct amination of boron-doped diamond by plasma polymerized allylamine film
PublicationA novel microwave pulsed-plasma based method for the modification of the hydrogen-terminated polycrystalline boron-doped diamond (BDD) with a thin film of polymerized allylamine (PPAAm) is reported. A modified BDD surface is resistant to hydrolysis and delamination and is characterized by a high density of positively charged amino groups. Pulsed microwave plasma was applied to improve the degree of cross-linking and bonding of...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublicationTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Effective assessment of biopolymer-based multifunctional sorbents for the remediation of environmentally hazardous contaminants from aqueous solutions
PublicationPersistent contaminants in wastewater effluent pose a significant threat to aquatic life and are one of the most significant environmental concerns of our time. Although there are a variety of traditional methods available in wastewater treatment, including adsorption, coagulation, flocculation, ion exchange, membrane filtration, co-precipitation and solvent extraction, none of these have been found to be significantly cost-effective...
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Biomass-Derived Nitrogen Functionalized Carbon Nanodots and Their Anti-Biofouling Properties
PublicationThe prevalence of the antibiotic resistant bacteria remains a global issue. Cheap, sustainable and multifunctional antibacterial membranes are at the forefront of filtrating materials capable of treating multiple flow streams, such as water cleansing treatments. Carbon nanomaterials are particularly interesting objects shown to enhance antibacterial properties of composite materials. In this article, amino-functionalized, photoluminescent...
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Boron doped Nanocrystalline Diamond-Carbon Nanospike Hybrid Electron Emission Source
PublicationElectron emission signifies an important mechanism facilitating the enlargement of devices that have modernized large parts of science and technology. Today, the search for innovative electron emission devices for imaging, sensing, electronics, and high-energy physics continues. Integrating two materials with dissimilar electronic properties into a hybrid material is an extremely sought-after synergistic approach envisioning a...
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Effect of molar ratio [NCO]/[OH] groups during prepolymer chains extending step on the morphology and selected mechanical properties of final bio‐based thermoplastic poly(ether‐urethane) materials
PublicationThe main aim of this work was to investigate the effect of [NCO]/[OH] molar ratio used during the prepolymer chain extending step (with bio‐based diols) on the chemical structure, and thermomechanical and mechanical properties of thermoplastic poly(ether‐urethane)s. Thermoplastic poly(ether‐urethane)s were obtained from bio‐based polyol (polytrimethylene ether glycol), bio‐based glycol (1,4‐butanediol or 1,3‐propanediol), and 4,4'diphenylmethane...
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Texture or Linker? Competitive Patterning of Receptor Assembly toward Ultra-Sensitive Impedimetric Detection of Viral Species at Gold-Nanotextured Titanium Surfaces
PublicationIn this work, we study the electrodes with a periodic matrix of gold particles pattered by titanium dimples and modified by 3-mercaptopropionic acid (MPA) followed by CD147 receptor grafting for specific impedimetric detection of SARS-CoV-2 viral spike proteins. The synergistic DFT and MM/MD modeling revealed that MPA adsorption geometries on the Au–Ti surface have preferential and stronger binding patterns through the carboxyl...
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Scattering of electrons by a 1,2-butadiene (C4H6) molecule: measurements and calculations
PublicationWe present the results of experimental and theoretical study on electron collisions with a 1,2-butadiene (H2C=C=CHCH3) molecule. Absolute grand-total cross sections (TCSs) were measured using a linear electron-transmission method for collision energies in the 0.5–300 eV range. Two distinct features in the TCS energy curve were detected: a narrow peak located at 2.3 eV and a broad enhancement centered around 9 eV. We attributed...
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Formation of Highly Conductive Boron-Doped Diamond on TiO2 Nanotubes Composite for Supercapacitor or Energy Storage Devices
PublicationIn the present paper, we report the phenomena of the formation of the novel composite nanostructures based on TiO2 nanotubes (NTs) over-grown by thin boron-doped diamond (BDD) film produced in Microwave Plasma Enhanced Chemical Vapor Deposition (PE MWCVD). The TiO2 nanotube array overgrown by boron-doped diamond immersed in 0.1 M NaNO3 can deliver high specific capacitance of 7.46 mF cm−2. The composite electrodes were characterized...
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Fabrication and characterization of composite TiO2 nanotubes/ boron-doped diamond electrodes towards enhanced supercapacitors
PublicationThe composite TiO2 nanotubes / boron-doped diamond electrodes were deposited using Microwave Plasma Enhanced Chemical Vapor Deposition resulting in the improved electrochemical performance. This composite electrode can deliver high specific capacitance of 7.46 mF cm‐− 2 comparing to boron-doped diamond (BDD) deposited onto flat Ti plate (0.11 mF cm‐− 2).The morphology and composition of composite electrode were characterized...
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Crystallographic study of self-organization in the solid state including quasi-aromatic pseudo-ring stacking interactions in 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea and 1-benzoyl-3-(2-hydroxypropyl)thiourea
Publication1-Benzoylthioureas contain both carbonyl and thiocarbonyl functional groups and are of interest for their biological activity, metal coordination ability and involvement in hydrogen-bond formation. Two novel 1-benzoylthiourea derivatives, namely 1-benzoyl-3-(3,4-dimethoxyphenyl)thiourea, C₁₆H₁₆N₂O₃S, (I), and 1-benzoyl-3-(2-hydroxypropyl)thiourea, C₁₁H₁₄N₂O₂S, (II), have been synthesized and characterized. Compound (I) crystallizes...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublicationMy PhD dissertation focused on DNA-protein interactions and the recognition of specific DNA sequences and structures. I discovered that acidic amino acid residues (Asp/Glu) play a crucial role by exhibiting a preference for cytosine. Their contribution to binding affinity depends on nearby cytosines, balancing electrostatic repulsion with specific interactions. Acidic residues act as negative selectors, discouraging non-cytosine...
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A new type of (TiZrNbTaHf)N/MoN nanocomposite coating: Microstructure and properties depending on energy of incident ions
PublicationA novel (TiZrNbTaHf)N/MoN nanocomposite coatings, which consist of the nitride of the high-entropy alloy and the binary nitride, were synthesized by vacuum-arc deposition at various substrate biases. The elemental composition, chemical bonding state, phase structure, microstructure and mechanical properties of the coatings were studied by high-resolution experimental methods: SIMS, GDMS, XPS, XRD, HR-TEM and nano-indentation. It...