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Wyniki wyszukiwania dla: au-cu nanostructures
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Intermetallic disordered magnet Gd2Pt1.1Ge2.9 and its relation to other AlB2 -type compounds
PublikacjaThe intermetallic germanide Gd 2 Pt 1.1 Ge 2.9 was synthesized using an arc-melting method. The crystal structure was characterized using powder x-ray diffraction, revealing a disordered ternary AlB 2 -type structure (space group P 6 / m m m , No. 191) with lattice parameters a = 4.2092 ( 1 ) Å and c = 4.0546 ( 2 ) Å . Physical properties were investigated by magnetic susceptibility and heat capacity measurements, which...
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Visible light activity of pulsed layer deposited BiVO4/MnO2 films decorated with gold nanoparticles: The evidence for hydroxyl radicals formation
PublikacjaThin films containing BiVO4 and MnO2 deposited on FTO and modified by Au nanoparticles were studied towards their photoelectrochemical and photocatalytical activities in an aqueous electrolyte. Electrodes were prepared by the pulsed laser deposition (PLD) method. The surfactant-free ablation process was used for preparation of the gold nanoparticles (GNP) water suspension. Obtained layers of varied thicknesses (27–115 nm) were...
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Atomic-Scale Finite-Element Modeling of Elastic Mechanical Anisotropy in Finite-Sized Strained Phosphorene Nanoribbons
PublikacjaNanoribbons are crucial nanostructures due to their superior mechanical and electrical properties. This paper is devoted to hybrid studies of the elastic mechanical anisotropy of phosphorene nanoribbons whose edges connect the terminals of devices such as bridges. Fundamental mechanical properties, including Young’s modulus, Poisson’s ratio, and density, were estimated from first-principles calculations for 1-layer, 3-layer, and...
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Nonlocal elasticity analysis of moderately thick porous functionally graded plates in a hygro-thermal environment
PublikacjaThis work performs a novel quasi three-dimensional (3D) bending analysis for a moderately thick functionally graded material (FGM) made of nanoceramics and metal powders, in presence of porosities due to some incorrect manufacturing processes. Such porosities can appear within the plate in two forms, namely, even and uneven distributions. The modeled system assumes a polymer matrix where both shear and transverse factors coexist....
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Selectivity of Pb(II) transport across polymer inclusion membranes doped with imidazole azothiacrown ethers
PublikacjaMembrany wykonane z trioctanu celulozy zawierające jako jonofor 18 i 21-członowe azotiakorony z resztą imidazolu w makropierścieniu przebadano pod kątem transportu jonów Zn(II), Cd(II) i Pb(II) z wodnego roztworu soli (pH ~5.5, cMe = 0,001 M). W wyniku badań ustalono, że jon Pb(II) może być efektywnie wydzielony z roztworu mieszaniny jonów Pb(II), Zn(II), Co(II), Ni(II), Cu(II) i Cd(II).Sekwencja selektywności transportu dla 18-członowej...
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Metal complexes with mixed s-donor ligands - a route via silanethiolates
PublikacjaW ramach prezentowanej pracy przedstawiono pierwsze próby syntezy mieszanych układów zawierających jednocześnie przykoordynowane reszty ditiokarbaminianową oraz silanotiolanowych. W badaniach posłużono się - jako substratami tri-tert-butoksysilanotiolanami kompleksami Cd, Zn, Cu, Pb, Hg, Ag i Co, a także solami kwasów: dietyloditiokarbaminowego oraz pirolidynoditiokarbaminowego. W przypadku związku Ag nie udało się wyizolować stałych...
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Copper-based 2D-coordination polymer as catalyst for allylation of aldehydes
PublikacjaA copper-tartrate, [Cu2(Tart)2(H2O)2]·4H2O, was synthesized at room temperature in aqueous media using copper chloride and D-tartaric acid. The compound crystallizes in the monoclinic system P21 space group and was characterized by infrared spectroscopy, thermogravimetry, X-ray powder diffraction and the results are in good agreement with the single crystal...
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Burnout Investigation of Small Diameter Tubes Immersed in Nanofluids
PublikacjaThis paper deals with research into pool boiling critical heat flux (CHF) of water–Al2O3, water–TiO2 and water–Cu nanofluids on horizontal stainless steel tubes. The experiments were conducted under atmospheric pressure. Nanoparticles were tested at concentrations of 0.001%, 0.01%, 0.1% and 1% by weight. Ultrasonic vibration was used in order to stabilize the dispersion of the nanoparticles. Although dispersants were not used to...
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Structural and catalytic properties of ceria layers doped with transition metals for SOFCs fueled by biogas
PublikacjaThe aim of this paper was to investigate an influence of the nanocrystalline Ce0.8A0.2O2-δ (A = Mn, Fe, Co, Ni, Cu) materials on the direct internal reforming of biogas in SOFC. Structural analysis of fabricated compounds has been done. An in-situ analysis of a composition of outlet gases from operating SOFC was performed using FTIR spectroscopy with simultaneous electrical tests. It was found out, that type of dopant strongly...
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Sustainable energy system combined biogas-feedSolid Oxide Fuel Cell and Microalgae technology
PublikacjaIn the new frontier of energy and environmental safety, new efficient and clean safe energy conversion systems are required. In this sense, the present work is framed within the context of Circular Economy and proposes a multidisciplinary study for the development of more efficient, economically viable and non-polluting energy conversion systems, based on the synergetic combination of different technologies: fuel cells, biofuels,...
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Preparation and characterisation of iron substituted Mn1.7Cu1.3-xFexO4 spinel oxides (x = 0, 0.1, 0.3, 0.5)
PublikacjaSpinel oxides with the general formula Mn1.7Cu1.3-xFexO4 (x= 0, 0.1, 0.3, 0.5) were prepared and evaluated in this work for their properties at high temperatures. The effect of partially substituting Cu by Fe has not been studied so far for this group of materials and is thus evaluated in this work. Mn1.7Cu1.3-xFexO4 powders were synthesised by a soft chemistry process and studied in terms of crystallographic phase analysis, electrical...
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Exploring multi-step glucose oxidation kinetics at GOx-functionalized nanotextured gold surfaces with differential impedimetric technique
PublikacjaFor a few past years, we can observe the enormous growth of investigations related to ultrasensitive electrochemical sensors capable of reliable determination of important body parameters and analytes. Utilized procedures rely on standard electrochemical methods, demanding electrode polarization, and information about the initial characteristics of the working electrode. More and more complex electrode materials are characterized...
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Boron doped Nanocrystalline Diamond-Carbon Nanospike Hybrid Electron Emission Source
PublikacjaElectron 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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The supramolecular organization of self-assembling chlorosomal bacteriochlorophyll c, d, or e mimics
PublikacjaBacteriochlorophylls (BChls) c, d, and e are the main light-harvesting pigments of green photosynthetic bacteria that self-assemble into nanostructures within the chlorosomes forming the most efficient antennas of photosynthetic organisms. All previous models of the chlorosomal antennae, which are quite controversially discussed because no single crystals could be grown so far from these organelles, involve a strong hydrogen-bonding...
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Ekspertyza numer 75/01/II/2016 - Określenie stanu powierzchni wewnętrznej, rury wykonanej ze stopu CuNi10Fe1,6Mn ze względu na możliwość wystąpienia produktów korozji. Określenie statusu warstwy pasywnej
PublikacjaElementy systemów rurociągów okrętowych mających kontakt z wodą zaburtową, takich jak np. instalacja chłodzenia silnika głównego, czy instalacja przeciw pożarowa, wykonywane są często ze stopów miedzi z nikem zwanych Cuniferami (Cu Ni Fe R-reszta pierwiastków stopowych). Cunifery charakteryzują się bardzo wysoką odpornością na korozję, pod warunkiem że procesy spawania i późniejszej pasywacji rurociągu przebiega zgodnie z właściwymi...
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The quality of sewage sludge stabilized for a long time in reed basins
PublikacjaThe aim of the work was to determine changes of long-term sewage sludge quality stabilized in reed basins from 7-15 years. The following parameters were evaluated: dry matter and organic matter concentration, nitrogen, phosphorus, and selected heavy metal (Cd, Ni, Pb, Cr, Cu, Zn) fractions. The material for the investigations was collected from 4 reed basin systems (utilisated sewage sludge) located in conventional WWTPs in Denmark...
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Surface sediments pollution due to shipwreck s/s “Stuttgart”: a multidisciplinary approach
PublikacjaShipwrecks may pose a serious source of pollution for marine ecosystems. For this reason, it is of great importance to perform a marine ecosystem risk assessment due to plausible wreck presence. One of elements of such an assessment is determining the state of the environment in the vicinity of the wreck. In the work presented, the results of studies on surface sediments samples collected around the s/s Stuttgart ship sunk during...
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Zastosowanie technik chemometrycznych w analityce i monitoringu środowiskowym
PublikacjaW pracy przedstawiono wyniki monitoringu przybrzeżnej strefy Morza Bałtyckiego w rejonie Zatoki Gdańskiej. W projekcie oznaczano związki z grupy WWA, HC, OPNPS, OCP5, VOCl oraz wybrane metale ciężkie (Pb, Zn, Cd, Cu). Podjęto próbę wyjaśnienia występowania określonych grup zanieczyszczeń w próbkach wody morskiej poprzez charakteryzację źródeł zanieczyszczeń wód lądowych, a także dzięki wyjaśnieniu statystycznie istotnych korelacji...
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Determination of heavy metals in eyeshadows from China
PublikacjaPersonal care products and cosmetics are used daily by many people, causing local exposure to certain chemical substances through the application directly inside the oral cavity, on the skin, lips, eyes, and mucosa. Eyeshadows are among the most commonly used types of cosmetics. According to scientifc reports, they may contain heavy metals, especially in non-original products. The exposure to said heavy metals may cause local skin...
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Fast-SEC coupled to ICP-MS for selected metal determination and its stability over time in polish wine
PublikacjaMetal ions contribute to the wine browning (as reaction catalysts), turbidity (in complexes), and astringency (due to inter- action with tannins). Being aware that bioavailability and metabolism of metal ions in the human body are strictly related with their concentration and the form they occur it is important to monitor not only the total content of metals but also their speciation. Thus, we can obtain more information about...
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Cienkie warstwy TiO2: metoda otrzymywania, charakterystyka oraz zastosowania
PublikacjaGłównym celem naukowym badań było lepsze poznanie mechanizmu tworzenia cienkich warstw fotokatalitycznych w postaci nanorurek TiO2 oraz zrozumienie wpływu ich morfologii oraz struktury na aktywność oraz stabilność w procesie fotodegradacji zanieczyszczeń organicznych zarówno w fazie wodnej jak i gazowej. Szczególną uwagę poświęcono syntezie nowych typów fotokatalizatorów w oparciu o matryce nanorurek TiO2 (nanorurki modyfikowane...
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Defective TiO2 Core-Shell Magnetic Photocatalyst Modified with Plasmonic Nanoparticles for Visible Light-Induced Photocatalytic Activity
PublikacjaIn the presented work, for the first time, the metal-modified defective titanium(IV) oxide nanoparticles with well-defined titanium vacancies, was successfully obtained. Introducing platinum and copper nanoparticles (NPs) as surface modifiers of defective d-TiO2 significantly increased the photocatalytic activity in both UV-Vis and Vis light ranges. Moreover, metal NPs deposition on the magnetic core allowed for the effective separation...
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Laser induced formation of copper species over TiO2 nanotubes towards enhanced water splitting performance
PublikacjaWe proposed fast and scalable route where the ordered TiO2 nanotubes coated with thin copper layers were annealed by the laser beam of 355 nm wavelength at different fluencies in the range of 15–120 mJ/cm2. As a result, copper species are integrated with the titania substrate and the formed material exhibits unique optical absorption bands in the visible range. Moreover, X-ray photoelectron spectroscopy analysis reveals the formation...
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Chemometric Evaluation of WWTPs’ Wastewaters and Receiving Surface Waters in Bulgaria
PublikacjaWastewater treatment plant (WWTP) installations are designed and operated to reduce the quantity of pollutants emitted to surface waters receiving treated wastewaters. In this work, we used classical instrumental studies (to determine chemicals and parameters under obligations put with Directive 91/271/EEC), ecotoxicological tools (Sinapis alba root growth inhibition (SA-RG) and Heterocypris incongruens mortality (MORT) and growth...
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Two kinds of oxygen vacancies in lithium titaniate doped with copper as detected by EPR
PublikacjaLithium titanate (Li1+xTi2-xO4) doped with Cu2+ ions was synthesized by sol-gel processing method. The structure and morphology are characterized by X-ray Diffraction (XRD), X-ray Photoemission Spectroscopy (XPS), Scanning Electron Microscopy (SEM) and Electron Paramagnetic Resonance (EPR). Spin Hamiltonian parameters describing Zeeman and hyperfine interaction for 63Cu2+ ions were obtained from EPR spectra simulations. The spectra...
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Ultrasensitive electrochemical determination of the cancer biomarker protein sPD-L1 based on a BMS-8-modified gold electrode
PublikacjaThis work describes the modification of a gold electrode with the BMS-8 compound that interacts with the Programmed Death-Ligand 1 (PD-L1), an immune checkpoint protein. The results show that we can confirm the presence of the sPD-L1 in the concentration range of 10−18 to 10−8 M using electrochemical impedance spectroscopy (EIS) with a limit of detection (LOD) of 1.87 × 10−14 M for PD-L1 (S/N = 3.3) and at a concentration of 10−14...
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Simple synthesis route for fabrication of protective photo‐crosslinked poly(zwitterionic) membranes for application in non‐enzymatic glucose sensing
PublikacjaThis work focuses on the fabrication of non-enzymatic glucose sensing materials based on laser-formed Au nanoparticles embedded in Ti-textured substrates. Those materials possess good catalytic activity toward glucose oxidation in 0.1 × phosphate buffered saline as well as resistance to some interferants, such as ascorbic acid, urea, and glycine. The electrodes are further coated with three different polymers, that is, Nafion,...
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Rapid development of the photoresponse and oxygen evolution of TiO2 nanotubes sputtered with Cr thin films realized via laser annealing
PublikacjaRecently, earth abundant transition metal oxides have gained particular attention as potential catalyst candidates due to their availability and low-cost comparing to substrates containing precious Pt or Au species. Herein, we present characterization of morphology, structure and electrochemical properties of pulsed 532 nm laser treated TiO2 nanotubes (NT) sputtered by the thin film of chromium. Scanning electron microscopy enables...
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Toughness augmentation by fibrillation and yielding in nanostructured blends with recycled polyurethane as a modifier
PublikacjaIn the present paper, we have carefully investigated the morphology and fracture mechanism of the recycled polyurethane (RPU) /epoxy blend system. The second phase (RPU) added to the epoxy resin has a positive effect on the overall mechanical properties. Interestingly, the recycled polymer has a remarkable effect on the fracture toughness of epoxy resin. The mechanism behind the fracture toughness improvement up on the addition...
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Magnetization reversal process in flat and patterned exchange-biased CoO/[Co/Pd] thin films
PublikacjaNanostructured magnetic materials have gained great interest due to their possible technological applications in electronic and spintronic devices or in medicine as drug carriers. The key issue which decides on their potential industrial utilization is an exhibited type of a magnetization reversal process. Two main approaches used to describe the switching mechanism are the domain wall motion and coherent magnetization rotation,...
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Electrical properties and structure of lead-borate glass containing iron ions.
PublikacjaThe ac and dc conductivity in iron–lead-borate glass samples was investigated in the frequency range from 1 mHz to 1 MHz and in the temperature range from 153 K to 423 K. The structure was investigated by the means of atomic force microscopy (AFM) and the crystalline phases (if present) were identified by the means of X-ray diffractometry. Two types of ac electrical behaviour were observed. The first group of glass samples which...
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Formation of Highly Conductive Boron-Doped Diamond on TiO2 Nanotubes Composite for Supercapacitor or Energy Storage Devices
PublikacjaIn 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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Carbon nanoarchitectures as high-performance electrodes for the electrochemical oxidation of landfill leachate
PublikacjaNanomaterials and assemblies of the aforementioned into complex architectures constitute an opportunity to design efficient and selective solutions to wide spread and emerging environmental issues. The limited disposal of organic matter in modern landfills generates extremely concentrated leachates characterised by high concentrations of refractory compounds. Conventional biochemical treatment methods are unsuitable, while advanced...
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Preparation and Characterization of Defective TiO2. The Effect of the Reaction Environment on Titanium Vacancies Formation
PublikacjaAmong various methods of improving visible light activity of titanium(IV) oxide, the formation of defects and vacancies (both oxygen and titanium) in the crystal structure of TiO2 is an easy and relatively cheap alternative to improve the photocatalytic activity. In the presented work, visible light active defective TiO2 was obtained by the hydrothermal reaction in the presence of three different oxidizing agents: HIO3, H2O2, and...
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Thermoplastic starch nanocomposites using cellulose-rich Chrysopogon zizanioides nanofibers
PublikacjaGreen thermoplastic starch (TPS) nanocomposite films aided by cellulose nanofibers (CNFs) from Chrysopogon zizanioides roots were developed and characterized. When compared to other lignocellulosic fibers, Chrysopogon zizanioides roots revealed exceptionally high cellulose content (~48%). CNFs were separated using an environmentally friendly acid isolation technique that included three stages: (i) alkali treatment; (ii) bleaching;...
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Przykłady realizacji i interpretacji wyników sondażowych pomiarów terenowych w czynnych systemach wodociągowych
PublikacjaW pracy przedstawiono przebieg realizacji i rezultaty sondażowych pomiarów terenowych w trzech układach dystrybucji wody o zróżnicowanym przewymiarowaniu sieci wodociągowej. Pomiary przeprowadzono w dążeniu do identyfikacji właściwości (cech) strukturalnych i funkcjonalnych układów po wieloletniej ich eksploatacji. Ustalenia te determinują opracowanie programu realizacji pomiarów dla potrzeb tarowania komputerowego modelu przepływu...
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Assessment of metal removal in a surface flow constructed wetland treating landfill leachate
PublikacjaThe study concerns heavy metal retention and transformation processes in a free water surface constructed wetland treating landfill leachate in a temperate climate. The total effectiveness of heavy metals removal in the analyzed CW was evaluated basing on heavy metals inflow and outflow concentrations. The concentrations of eight heavy metals (Fe, Mn, Zn, Pb, Ni, Cu, Cr, Cd) in landfill leachate (LL) and sediments were measured....
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Distribution and removal efficiency of heavy metals in two constructed wetlands treating landfill leachate
PublikacjaThe results of heavy metals (Fe, Mn, Zn, Ni, Cu, Cr, Pb, Cd) removal and partitioning between aqueous and solid phases at two wetlands (TWs) treating municipal landfill leachates are presented. One of the TWs is a surface flow facility consisting of 10 ponds. The other TW is a newly constructed pilot-scale facility consisting of three beds with alternately vertical and horizontal sub-surface flow. The metals concentrations were...
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Influences of grain shape and size distribution on permeability
PublikacjaThe present study investigates the effects of shape and size distributions of grains on the coefficient of permeability (k). A series of constant head permeability tests were performed to characterize the coefficient of permeability. Three particle size ranges (4.75- 0.075, 1.18- 0.075 and 0.300-0.075 mm) of two different sands (Narli Sand, Crushed Stone Sand) having different shapes were tested in a constant head permeability...
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Ultrasound assisted synthesis of 3-alkynyl substituted 2-chloroquinoxaline derivatives: Their in silico assessment as potential ligands for N-protein of SARS-CoV-2
PublikacjaIn view of recent global pandemic the 3-alkynyl substituted 2-chloroquinoxaline framework has been explored as a potential template for the design of molecules targeting COVID-19. Initial in silico studies of representative compounds to assess their binding affinities via docking into the N-terminal RNA-binding domain (NTD) of N-protein of SARS-CoV-2 prompted further study of these molecules. Thus building of a small library of...
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Comparison of Cu1.3Mn1.7O4 spinels doped with Ni or Fe and synthesized via wet chemistry and solid-state reaction methods, designed as potential coating materials for metallic interconnects
PublikacjaThe influence of the method applied to synthesize Cu-Mn-O spinel was evaluated. The methods selected for the investigation were EDTA gel processes and solid-state reaction synthesis. From the obtained powders, sinters were prepared and assessed in terms of their properties as potential coating materials. Additionally, the influence of Ni and Fe dopants was evaluated. The results show that the EDTA gel processes method seems to...
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Comparative Analysis of Laboratory-Made and Industrial-Made Sewage Sludge Ash: Implications for Effective Management Strategy Development
Publikacjafirst_pageDownload PDFsettingsOrder Article Reprints Open AccessArticle Comparative Analysis of Laboratory-Made and Industrial-Made Sewage Sludge Ash: Implications for Effective Management Strategy Development by Bartłomiej Michał Cieślik 1,*ORCID,Oskar Ronda 1ORCID,Elżbieta Grządka 2ORCID,Jolanta Orzeł 2 andJustyna Płotka-Wasylka 1 1 Department of Analytical Chemistry, Faculty of Chemistry, Gdańsk University of Technology, Gabriela...
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Otrzymywanie nowych fotokatalizatorów o podwyższonej aktywności w świetle UV oraz VIS
PublikacjaGłównym celem naukowym pracy było opracowanie nowych metod otrzymywania fotokatalizatorów oraz lepszy zrozumienie mechanizmu ich działania poprzez korelację właściwości powierzchniowych z ich aktywnością fotokatalityczną. Prace badawcze obejmowały preparatykę TiO2 domieszkowanego borem, wolframem i modyfikowanego klastrami metali. Dla otrzymanych nanokompozytów B/TiO2, W/TiO2, Ag/TiO2, Au/TiO2, oraz Pt-TiO2, zbadano aktywność fotokatalityczną...
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Discriminating macromolecular interactions based on an impedimetric fingerprint supported by multivariate data analysis for rapid and label-free Escherichia coli recognition in human urine
PublikacjaThis manuscript presents a novel approach to address the challenges of electrode fouling and highly complex electrode nanoarchitecture, which are primary concerns for biosensors operating in real environments. The proposed approach utilizes multiparametric impedance discriminant analysis (MIDA) to obtain a fingerprint of the macromolecular interactions on flat glassy carbon surfaces, achieved through self-organized, drop-cast,...
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Potentiometric Solid-Contact Ion-Selective Electrode for Determination of Thiocyanate in Human Saliva
PublikacjaA new solid-contact potentiometric ion-selective electrode for the determination of SCN− (SCN-ISE) has been described. Synthesized phosphonium derivative of calix[4]arene was used as a charged ionophore. The research included selection of the ion-selective membrane composition, determination of the ISEs metrological parameters and SCN-ISE application for thiocyanate determination in human saliva. Preparation of the ISEs included...
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Wpływ błędów technologicznych na degradację korozyjną stopu miedzi z grupy cunifer – CuNi10Fe1,6Mn
PublikacjaStopy miedzi z niklem, zwane cuniferami (Cu, Ni, Fe oraz R – reszta pierwiastków stopowych), są szeroko stosowane do produkcji elementów rurociągów okrętowych mających kontakt z wodą zaburtową, takich jak instalacja chłodzenia silnika głównego. Stopy te charakteryzują się bardzo wysoką odpornością korozyjną dzięki odpowiednio wykonanej pasywacji. Jednakże gdy pasywację przeprowadzi się nieprawidłowo, materiał traci właściwości...
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Determination of metal content in sewage sludge and sewage sludge ash to find opportunities to use them in the construction industry
PublikacjaSewage sludge management is becoming an increasing problem in developed and developing countries. Due to their physicochemical properties (mainly high content of heavy metals) a safe method of utilization is sought. Considering environmental protection, energy recycling, reduction in use of the raw materials and the possibility of immobilization hazardous substances, the use of ashes in building materials becomes a very good way...
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Analiza elektronomikroskopowa próbek pyłów z Gdańska i Zabrza
PublikacjaCelem badań była analiza morfologiczna cząstek pyłów oraz analiza składu elementarnego próbek pyłów przy pomocy mikroanalizatora rentgenowskiego EDX (Energy Dispersive X-Ray Spectroscopy). Próbki pyłów do analizy pobierano na terenie Gdańska i Zabrza. Zidentyfikowane przy pomocy TEM i SEM cząstki występujące w pobranych próbkach podzielono na trzy grupy ze względu na ich kształt: cząstki zaokrąglone, cząstki o kształcie nieregularnym,...
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Hybrid quantum-classical approach for atomistic simulation of metallic systems
PublikacjaThe learn-on-the-fly (LOTF) method [G. Csanyi et al., Phys. Rev. Lett. 93, 175503 (2004)] serves to seamlessly embed quantum-mechanical computations within a molecular-dynamics framework by continual local retuning of the potential's parameters so that it reproduces the quantum-mechanical forces. In its current formulation, it is suitable for systems where the interaction is short-ranged, such as covalently bonded semiconductors....
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Modified Manganese Phosphate Conversion Coating on Low-Carbon Steel
PublikacjaConversion coatings are one of the primary types of galvanic coatings used to protect steel structures against corrosion. They are created through chemical reactions between the metal surface and the environment of the phosphating. This paper investigates the impact that the addition of new metal cations to the phosphating reaction environment has on the quality of the final coating. So far, standard phosphate coatings have contained...