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Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublikacjaThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
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Cellulosic bionanocomposites based on acrylonitrile butadiene rubber and Cuscuta reflexa: adjusting structure-properties balance for higher performance
PublikacjaDesign and manufacture of cellulosic nanocomposites with acceptable performance is in the period of a transition from fantasy to reality. Typically, cellulosic nanofillers reveal poor compatibility with polymer matrices. Thus, adjusting the balance between structure and properties of cellulosic bionanocomposites by careful selection of parent ingredients is the first priority. Herein, we incorporated Cuscuta reflexa derived cellulose...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublikacjaThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Material Parameters Identification of Historic Lighthouse Based on Operational Modal Analysis
PublikacjaIn the present paper, the identification of the material parameters of a masonry lighthouse is discussed. A fully non-invasive method was selected, in which the material properties were determined via numerical model validation applied to the first pair of natural frequencies and their related mode shapes, determined experimentally. The exact structural model was built by means of the finite element method. To obtain experimental...
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Pre-Treatment of Furniture Waste for Smokeless Charcoal Production
PublikacjaThe aim of this study was to assess the possibility of using furniture waste for smokeless fuel production using the pyrolysis process. Four types of wood-based wastes were used in the pyrolysis process: pine sawdust (PS), chipboard (CB), medium-density fiberboard (MDF), and oriented strand board (OSB). Additionally, the slow and fast types of pyrolysis were compared, where the heating rates were 15 C/min and 100 C/min, respectively....
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The Analysis of Working Parameters Decrease in Photovoltaic Modules as a Result of Dust Deposition
PublikacjaThe aspect of dust accumulation on the surface of photovoltaic (PV) modules should be thoroughly understood in order to minimize possible obstacles affecting energy generation. Several elements affect the amount of pollutant gathered on the surface of a solar device, mainly its localization, which is irreversibly linked to factors such as annual rainfall, occasional snow coverage, or, in a dry climate, increased blow of dust during...
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3D Metamaterial Ultra-Wideband Absorber for curved surface
PublikacjaThis paper proposes a three-dimensional metamaterial absorber based on a resistive film patch array to develop a low-cost, lightweight absorber for curved surfaces. An excellent absorption over a large frequency band is achieved through two different yet controllable mechanisms; In the first mechanism, a considerable attenuation in the wave power is achieved via graphite resistive films. The absorption is then intensified through...
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Singlet oxygen-dominated peroxymonosulfate activation by layered crednerite for organic pollutants degradation in high salinity wastewater
PublikacjaAdvanced oxidation processes have been widely studied for organic pollutants treatment in water, but the degradation performance of radical-dominated pathway was severely inhibited by the side reactions between the anions and radicals, especially in high salinity conditions. Here, a singlet oxygen (1O2)-dominated non-radical process was developed for organic pollutants degradation in high salinity wastewater, with layered crednerite...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublikacjaDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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Light‐Driven Multi‐Charge Separation in a Push‐Pull Ruthenium‐Based Photosensitizer – Assessed by RASSCF and TDDFT Simulations
PublikacjaThe performance of photosensitizers in the field of, for example, solar energy conversion, relies on their light-harvesting efficiency in the visible region, population of long-lived charge separated intermediates, as well as their charge-accumulation capacity amongst other properties. In this computational study, we investigate the photophysical properties of a bis(bipyridyl)ruthenium(II)-based black dye (Ru) incorporating a chromophoric...
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Study on some of the strength properties of soft clay stabilized with plastic waste strips
PublikacjaIt is well known that if plastic wastes are not well managed, it has a negative impact on the environment as well as on human health. In this study, recycling plastic waste in form of strips for stabilizing weak subgrade soil is proposed. For this purpose, a weak clay soil sample was mixed with 0.2%, 0.3%, and 0.4% of plastic strips by weight of soil, and the experimental results were compared to the control soil sample with 0%...
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Effect of the Drying Method of Pine and Beech Wood on Fracture Toughness and Shear Yield Stress
PublikacjaThe modern wood converting processes consists of several stages and material drying belongs to the most influencing future performances of products. The procedure of drying wood is usually realized between subsequent sawing operations, affecting significantly cutting conditions and general properties of material. An alternative methodology for determination of mechanical properties (fracture toughness and shear yield stress) based...
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Biotrickling filtration of air polluted with hexane and cyclohexane: effects of trickling liquid modification with DES solutions
Dane BadawczeDataset presents selected parameters monitored during processes of biotrickling filtration of air polluted with hexane and cyclohexane.
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The low-frequency magnetic field emissions on-board of the vessel
Dane BadawczeThe data represents measurement results performed on board of the vessel. The acquired time-waveforms, corresponding to the instantaneous values of the magnetic field (MF) induction were acquired near the cable supplying the bow thruster motor. Data recording of the magnetic field density (MFD) emissions was carried out with a/d converters of the data...
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Nonlinear impedance of vanadate glass-ceramics containing BaTiO3
Dane BadawczeThe nonlinear impedance of vanadate glasses doped with BaTiO3 was measured. Samples of the composition of x[BaO,TiO2]–(80 − x)V2O5–20Bi2O3 where x = 5, 10 and 15 in mol% were prepared by a conventional melt quenching technique. The melting was performed in alumina crucibles at the temperature of 1273 K–1373 K. The melts were poured on a preheated (573...
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A DFT+U study of carbon nanotubes under influence of a gate voltage
PublikacjaA possibility of appearance of antiferromagnetic ordering in armchair carbon nanotubes and graphene is studied using density functional theory within a DFT+U approach. It is shown that the Coulomb repulsion between electrons in the -orbitals of graphene would need to reach a threshold value of ,...
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublikacjaIonic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublikacjaTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublikacjaFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Nitrogen-incorporated boron-doped diamond films for enhanced electrochemical supercapacitor performance
PublikacjaThe electrochemical (EC) supercapacitor, known for its rapid charging, reliability, and versatile applications, demands optimized electrode characteristics and an understanding of their electrochemical behaviour. Although boron-doped diamond (BDD) holds promise as a supercapacitor electrode, a crucial gap exists in comprehending its material behaviour under specific growth conditions. Here, nitrogen-incorporated BDD (N-BDD) films...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublikacjaThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Influence of Ultrasound on the Characteristics of CaP Coatings Generated Via the Micro-arc Oxidation Process in Relation to Biomedical Engineering
PublikacjaOver the past decade, bone tissue engineering has been at the core of attention because of an increasing number of implant surgeries. The purpose of this study was to obtain coatings on titanium (Ti) implants with improved properties in terms of biomedical applications and to investigate the effect of ultrasound (US) on these properties during the micro-arc oxidation (MAO) process. The influence of various process parameters, such...
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Preparation and properties of composite coatings, based on carbon nanotubes, for medical applications
PublikacjaThe coatings based on carbon nanotubes (CNTs) are increasingly developed for their applications, among others, in medicine, in particular for implants in implantology, cardiology, and neurology. The present review paper aims at a detailed demonstration of diferent preparation methods for such coatings, their performance, and relationships between deposition parameters and microstructure and material, mechanical, physical, chemical,...
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Thermal and physical properties of ZrO2–AlO(OH) nanopowders synthesised by microwave hydrothermal method
PublikacjaIndustrially relevant nanopowder was synthesised by microwave hydrothermal synthesis to obtain well-controlled composition (ZrO2–AlO(OH) system) which was found to determine a number of physical and thermal characteristics. This study reports variation of particle size, density, specific surface area (SSABET), as well as thermal behaviour of nanopowder mixtures of ZrO2–AlO(OH) in the whole range of compositions. It was found that...
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Use of optical skin phantoms for calibration of dermatological lasers
PublikacjaA wide range of dermatological diseases can be efficiently treated using laser heating. Nevertheless, before the new laser is introduced into clinical practice, its parameters and ability to interact with human skin have to be carefully examined. In order to do that optical skin phantoms can be used. Such phantoms closely imitate the scattering and absorption properties of real human skin tissue along with its thermal properties,...
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A LUMPED-CIRCUIT MODEL OF CIRCULAR PISTON TRANSDUCER FOR MODELING ITS PERFORMANCE IN DUAL FREQUENCY OPERATING MODES
PublikacjaThe paper presents novel network equivalent circuit of piezoceramic circular disc transducer that takes into account thickness and ra dial mode of vibrations. The starting point of the analysis is 4-port description of circular disc element representing the solution of wave equation set in radial and thickness directions. Th e approximate solution for harmonic case is represented in the form of 4x4 matrix, which is syn thesized...
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Novel nitrogen precursors for electrochemically driven doping of titania nanotubes exhibiting enhanced photoactivity
PublikacjaNitrogen doped titania nanotubes were successfully sensitized by electrochemical method, i.e. as-anodized titania was immersed in different amine (diethyleneamine-DETA, triethyleneamine-TEA, ethylenediamine-EDA) and urea (U) solution and a constant potential was applied. The highly ordered morphology of fabricated N-TiO2 was investigated by using scanning electron microscopy. Spectroscopic techniques, i.e. UV-Vis spectroscopy,...
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Effect of ground tire rubber on structural, mechanical and thermal properties of flexible polyurethane foams
PublikacjaFlexible polyurethane foams were modified with two kinds of ground tire rubber, untreated and thermo-mechanically reclaimed. A reclamation process was performed in auto-thermal conditions, which reduced the cost of the process and decreased the environmental impact of devulcanization (e.g., emission of gases). The reclamation process was carried out in a continuous manner using a co-rotating twin screw extruder. The foams were...
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Curing characteristics, mechanical properties and morphology of butyl rubber filled with ground tire rubber (GTR)
PublikacjaThe results on testing application of ground tire rubber (GTR), as potential filler for butyl rubber, are pre- sented. The GTR content variation, within the range of 10–90 phr, was studied with respect to the vulcanization process, static mechanical properties (tensile strength, elongation-at-break, hardness and resilience), dynamic mechanical properties and the morphology of the obtained vulcanizates. Butyl rubber was characterized...
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Co-simulation strategy of transient CFD and heat transfer in building thermal envelope based on calibrated heat transfer coefficients
PublikacjaThe paper presents a strategy to develop a fully transient numerical model of a heat transfer in building, using a transient CFD model of indoor air and a thermal envelope model, running in a co-simulation. The strategy relies on the utilization of RANS with a high-Re turbulence model and a wall function, which enables to use a coarse computational mesh limiting the computational time. Since wall functions give invalid heat transfer...
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Tailoring of SiOC composition as a way to better performing anodes for Li-ion batteries
PublikacjaPolymer derived silicon oxycarbide (SiOC) ceramics are investigated as potential anodes for lithiumion batteries. Different SiOC ceramics are prepared by pyrolysis (1000 °C and 1400 °C under controlled argon atmosphere) of polysiloxanes ceramic precursors. Preceramic polymers are synthesized using the sol–gel method. Phenyltriethoxysilane (PhTES) and methyltriethoxysilane (MTES) have been used as starting precursors and mixed with...
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Experimental studies on the impact of changing the pipe material on the propagation of the pressure wave during water hammer
PublikacjaAim of the paper is to present the results studying the water hammer phenomenon in pipes made of different materials, and to show the impact of changing the type of material of the pipe on the velocity of the pressure wave during the transient flow in the pipes. In terms of research material and methods, pipes made of galvanized steel and high-density polyethylene were tested. Measurements were made using strain gauges with a high...
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Effect of aeration of antibiotic-loaded bone cement on its properties and bactericidal effectiveness
PublikacjaBACKGROUND: Antibiotic-loaded bone cements are now widely used in medicine. They are able to locally deliver antibiotic particles and they allow treat or protect against infection. It is assumed that the bactericidal effectiveness of bioactive bone cements depend on the parameters of its production. Hence, the aim of this study was to check the effect of aeration of bone cement before mixing the components on its properties as...
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Cross-talk Between the Heart and Arteries in Older 65+ Adults
PublikacjaRegulatory synchronization between the heart and the arterial walls is essential for optimal blood delivery to tissues. We investigated functional coherence between heart rhythm and aortic wall compliance in 30 volunteers aged 65 – 74. ECG and carotid and iliac pulse-wave were recorded and digitized at 2 kHz. Carotid-femoral pulse-wave transit time (cfTT) which reflex aortic compliance was assessed using the intersecting tangent...
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Application of shifted Chebyshev polynomial-based Rayleigh–Ritz method and Navier’s technique for vibration analysis of a functionally graded porous beam embedded in Kerr foundation
PublikacjaPresent study is dealt with the applicability of shifted Chebyshev polynomial based Rayleigh-Ritz method and Navier’s technique on free vibration of Functionally Graded (FG) beam with uniformly distributed porosity along the thickness of the beam. The material properties such as Young’s modulus, mass density, and Poisson’s ratio are also considered to vary along the thickness of the FG beam as per the power-law exponent model....
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Cathodically activated Au/TiO2 nanocomposite synthesized by a new facile solvothermal method: An efficient electrocatalyst with Pt-like activity for hydrogen generation
PublikacjaWe report here a facile, template-free and one-step solvothermal approach for the synthesis of high-temperature stable gold/titania nanocomposite (NCs), providing a new, simple, quick and inexpensive wet-chemical route. Our approach is based on the assembly of gold salt and titanium butoxide in dimethyl sulfoxide (DMSO). Also, we present here, for the first time, a cathodically activated Au/TiO2 catalyst with Pt/C activity for...
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Mathematical Modeling of Ice Thrusting on the Shore of the Vistula Lagoon (Baltic Sea) and the Proposed Artificial Island
PublikacjaCoastal lagoons are inland and shallow water bodies, separated from the ocean by a barrier. In cold regions, ice phenomena in shallow water coastal lagoons occur every winter season. Ice is predominantly formed on the surface due to density stratification and surface cooling. The ice dynamics in such areas are dominantly affected by winds. Water dynamics also cause ice movement, but due to the large areal scale of lagoons, the...
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An Experimental Investigation of Pressure Wave Celerity During the Transient Slurry Flow
PublikacjaTransportation of slurries in pressure pipelines is an example of a complex flow due to specific parameters of transported medium. For practitioners, the economy of designing and maintenance is usually the most important factor. For this reason, most of hydrotransport installations are fairly simple; however, they become more vulnerable to negative effects of the transient flow which can occur in pressure pipelines. As the consequence,...
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Electrochemical and photoelectrochemical properties of the interface between titania nanotubes covered by conducting polymer in aqueous by conducting polymer in aqueous electrolytes – The effect of various geometry and electrolytes concentration
PublikacjaIn the present work we show the impact of nanotubes (NTs) geometry of titania utilized as a substrate in organic-inorganic systems acting as a p-n junction on efficient conversion of radiation energy into electrochemical energy. The electrolytic bath composition and electrolysis conditions were controlled in order to obtain TiO2NTs of various geometry as a result of electrochemical oxidation of titanium foil. The electrode material...
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Titania nanotubes modified by a pyrolyzed metal-organic framework with zero valent iron centers as a photoanode with enhanced photoelectrochemical, photocatalytical activity and high capacitance
PublikacjaThe paper discusses the synthesis, photoelectrochemical and electrochemical behaviour of titania nanotube arrays modified by a pyrolyzed metal-organic framework (MOF). A poly(3,4–ethylenedioxyphene) (PEDOT) matrix with an embedded inorganic network of iron hexacyanoferrate (BP) covering TiO2 nanotubes (TNT) is used as a MOF for the further sintering procedure, resulting in a novel, thin film of carbonaceous wrap supported Fe catalytic...
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Numerical analysis of vacuum drying of a porous body in the integrated domain
Publikacjan the present study, the vacuum drying process of an apple slice is numerically modeled based on a control volume method. Transient two-dimensional Navier– Stokes, energy, moisture, and Luikov equations are solved by numerical coding (Fortran) to simulate the simultaneous heat and mass transfer in the ambient and apple slice, respectively. The privilege of using Luikov's model is that the capillary forces are considered, and a...
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The Mechanism of a Retro-Diels–Alder Fragmentation of Luteolin: Theoretical Studies Supported by Electrospray Ionization Tandem Mass Spectrometry Results
PublikacjaThe mechanisms of retro-Diels–Alder fragmentation of luteolin are studied theoretically using the Density Functional Theory method (B3LYP hybrid functional) together with the 6-311++G(d,p) basis set and supported by electrospray ionization tandem mass spectrometry (ESI-MS) results. The reaction paths leading to the formation of 1,3A and 1,3B fragment ions observed as the main spectral features in the ESI-MS spectrum are described...
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Impedimetric sensing of α-amino acids driven by micro-patterned 1,8-Diazafluoren-9-one into titania- boron- doped maze-like nanocarbons
PublikacjaThe development of impedimetric, non-faradaic label-free sensors for the detection of α-amino acids constitutes a trailblazing technology for the fast and inexpensive quantification of such biomarkers. Since α-amino acids, such as glycine and sarcosine, are basic constituents in biological processes, a variation in their concentration may be an indicator of cardiovascular diseases and metabolic disorders or neurological conditions....
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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublikacjaThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Biocomposites from recycled resources as candidates for laboratory reference material to validate analytical tools used in organic compounds emissions investigation
PublikacjaA suitably chosen reference material should meet specific criteria like representing one of the compound classes most commonly occurring in indoor materials as well as having optimal long-term stability during storage and transport to its destination point and having a compact size. The described interdisciplinary pilot research was aimed to develop and characterize a polymer-based candidate for the laboratory reference material...
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Conductive printable electrodes tuned by boron-doped nanodiamond foil additives for nitroexplosive detection
PublikacjaAn efficient additive manufacturing-based composite material fabrication for electrochemical applications is reported. The composite is composed of commercially available graphene-doped polylactide acid (G-PLA) 3D printouts and surface- functionalized with nanocrystalline boron-doped diamond foil (NDF) additives. The NDFs were synthesized on a tantalum substrate and transferred to the 3D-printout surface at 200 °C. No other electrode...
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Experimental and Numerical Investigation of Tensile and Flexural Behavior of Nanoclay Wood-Plastic Composite
PublikacjaIn this study, the effect of wood powder and nanoclay particle content on composites’ mechanical behavior made with polyethylene matrix has been investigated. The wood flour as a reinforcer made of wood powder was at levels of 30, 40, and 50 wt.%, and additional reinforcement with nanoclay at 0, 1, 3, and 5 wt.%. Furthermore, to make a composite matrix, high-density polyethylene was used at levels of 70, 60, and 50% by weight....
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Hybrid metal and non-metal activation of Oxone by magnetite nanostructures co-immobilized with nano-carbon black to degrade tetracycline: Fenton and electrochemical enhancement with bio-assay
PublikacjaElectrochemically synthesized magnetite nanostructures (ESMNPs) as a metal activator and nano-carbon black (NCB) as a non-metal activator were co-immobilized by alginate natural polymer to activate Oxone for the degradation of tetracycline (TC) antibiotic. The formation of sulfate radical was indirectly confirmed during the Oxone/ESMNPs/NCB/alginate process via the addition of scavenging compounds. This study revealed the high...
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Efficacious Alkaline Copper Corrosion Inhibition by a Mixed Ligand Copper(II) Complex of 2,2′-Bipyridine and Glycine: Electrochemical and Theoretical Studies
PublikacjaA mixed ligand copper(II) complex, namely, [Cu(BPy)(Gly)Cl]⋅2H2O (CuC) (BPy=2,2′-bipyridine and Gly=glycine), was synthesized and characterized. The synthesized CuC complex was tested as inhibitor to effectively mitigate the corrosion of copper in alkaline solutions using the linear sweep voltammetry (LSV) and linear polarization resistance (LPR) techniques. For the sake of comparison, such two D.C. electrochemical techniques were...
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Multifaceted Analyses of Four Different Prototype Lightweight Photovoltaic Modules of Novel Structure
PublikacjaDynamic growth of photovoltaic capacity in Poland encourages many entities to invest in photovoltaic systems. However, in the case of buildings with low roof-bearing capacity it can be problematic or even impossible to mount conventional PV modules due to their relatively high weight. Hence, the use of lightweight PV modules is a potential solution. In this paper four different prototype silicon lightweight modules of novel structure...