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Search results for: mri spectroscopy
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Exploring the nanoscale: AFM-IR visualization of cysteine adsorption on gold nanoparticles
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Structural and optical study on antimony-silicate glasses doped with thulium ions
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1,4-Bis(2-methylstyryl)benzene doped PMMA fibre for blue range fluorescent applications
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Structural and optical properties of antimony-germanate-borate glass and glass fiber co-doped Eu3+ and Ag nanoparticles
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Analysis of thermal and structural properties of germanate glasses co-doped with Yb3+/Tb3+ ions
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Rare earth-doped barium gallo-germanate glasses and their near-infrared luminescence properties
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Investigation of the aluminum oxide content on structural and optical properties of germanium glasses doped with RE ions
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Authentication of whisky due to its botanical origin and way of production by instrumental analysis and multivariate classification methods
PublicationHeadspacemass-spectrometry (HS-MS), mid infrared (MIR) and UV–vis spectroscopywere used to authenticate whisky samples from different origins and ways of production ((Irish, Spanish, Bourbon, TennesseeWhisky and Scotch). The collected spectra were processed with partial least-squares discriminant analysis (PLS-DA) to build the classification models. In all cases the five groups ofwhiskieswere distinguished, but the best resultswere...
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Designing efficient A-D-A1-D-A type fullerene free acceptor molecules with enhanced power conversion efficiency for solar cell applications
PublicationThe achievement of highly efficient power conversion efficiency (PCE) is a big concern for non-fullerene organic solar cells (NF-OSCs) because PCE can depend on numerous variables. Here, new five novel acceptor molecules without fullerenes were developed and investigated using DFT (density functional theory) and TD-DFT (time dependent-density functional theory). Compared to the recently synthesized molecule (PZ-dIDTC6), the developed...
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Smartphone-based digital image colorimetry for the determination of total capsaicinoid content in chili pepper extracts
PublicationA simple smartphone-based digital image colorimetry was proposed for the determination of total capsaicinoid content and the assessment of chili pepper pungency. The biobased solvent D-limonene was used for the first time to isolate analytes. Capsaicinoids were efficiently separated from chili pepper by solid-liquid extraction with D-limonene followed by partitioning of the analytes into the ammonium hydroxide solution to eliminate...
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Interactions of fish gelatin and chitosan in uncrosslinked and crosslinked with EDC films: FT-IR study
PublicationFilms based on fish gelatin, chitosan and blend of fish gelatin and chitosan before and after cross-linking with EDC have been characterized by FT-IR spectroscopy. The FT-IR spectrum of fish gelatin film showed the characteristic amide I, amide II and amide III bands, and the FT-IR spectrum of chitosan film confirmed that the polymer was only a partially deacetylated product, and included CH3-C=O and NH2 groups, the latter both...
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Simple colorimetric copper(II) sensor – spectral characterization and possible applications
PublicationNew o-hydroxyazocompound L bearing pyrrole residue was obtained in the simple synthetic protocol. The structure of L was confirmed and analyzed by X-ray diffraction. It was found that new chemosensor can be successfully used as copper(II) selective spectrophotometric regent in solution and can be also applied for the preparation of sensing materials generating selective color signal upon interaction with copper(II). Selective colorimetric...
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Vapor correction of FTIR spectra – A simple automatic least squares approach
PublicationFTIR spectroscopy is one of the best techniques to study intermolecular interactions. However, such an application requires high quality spectra with as little noise as possible, which are often difficult to obtain. One of the main sources of unwanted interference is water vapor. Here a robust method is proposed for automatic, fast and reliable vapor correction of FTIR spectra. The presented least squares approach of vapor subtraction...
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublicationDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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Gold(III) complexes with chloride and cyanopyridines: Facilitated hydrolysis of nitrile ligand to amide and antibacterial activity
PublicationA range of novel simple gold(III) compounds has been synthesized in their monocrystalline form, including two previously unknown chloro-complexes of Au3+ with 2-cyanopyridine or 3-cyanopyridine, respectively. Our investigations have revealed the intricate nature of the reaction between 2-cyanopyridine and tetrachloroauric acid, yielding at least three distinct products. The main product, obtained in high yield, is a salt featuring...
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Angular cheilitis of COVID‐19 patients: A case‐series and literature review
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Experimental and Machine-Learning-Assisted Design of Pharmaceutically Acceptable Deep Eutectic Solvents for the Solubility Improvement of Non-Selective COX Inhibitors Ibuprofen and Ketoprofen
PublicationDeep eutectic solvents (DESs) are commonly used in pharmaceutical applications as excellent solubilizers of active substances. This study investigated the tuning of ibuprofen and ketoprofen solubility utilizing DESs containing choline chloride or betaine as hydrogen bond acceptors and various polyols (ethylene glycol, diethylene glycol, triethylene glycol, glycerol, 1,2-propanediol, 1,3-butanediol) as hydrogen bond donors. Experimental...
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Highly sensitive microwave sensors based on open complementary square split-ring resonator for sensing liquid materials
PublicationThis paper presents high-sensitivity sensors based on open complementary square split-ring resonator and modified open complementary split-ring resonator operating at 4.5 GHz and 3.4 GHz, respectively. The sensors are designed for the detection of multiple liquid materials, including distilled water, methanol, and ethanol. The liquid under test is filled in a glass container loaded using a pipette. Compared to the conventional...
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Intramolecular interactions in crystals of tris(2,6-diisopropylphenoxy)silanethiol and its sodium salts
PublicationHydrolytically stable tris(2,6-diisopropylphenoxy)silanethiol has been obtained and reacted with sodium. Solid state interactions within and between the molecules of tris(2,6-diisopropylphenoxy)silanethiol including S-H---π-interactions between the S-H unit and the π-system of the arene have been analyzed. The interactions are documented by X-ray diffraction and FT-IR spectroscopy.
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MultiRegional PCA for leakage detection and localisation in DWDS - Chojnice case study
PublicationThis chapter considers pipe leakage detection and localisation in Drinking Water Distribution Systems (DWDS) by using a novel approach the MultiRegional Principal Component Analysis (MR-PCA). The MR-PCA is an extension of well known PCA method. The main idea of MR-PCA consists in designing a number of regional PCA models and analysing their responses caused by the pipe faults. Moreover, DWDS is decomposed into suitable subnetworks...
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Seismic performance evaluation of steel buckling-restrained braced frames including SMA materials
PublicationThe permanent deformation of the building after seismic excitations can be determined by the Maximum Residual Interstory Drift Ratio (MR-IDR), which may be used for measuring the damage states. Low-post yield stiffness of the steel buckling-restrained braced frame (BRBF) makes this system vulnerable to large MR-IDR after a severe earthquake event. To overcome this issue, this paper investigates the seismic limit state performances...
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Module of priorities for public transport vehicles in the TRISTAR system
PublicationOne of the most important elements of the intelligent traffic control systems is the ability to control movement in such a way as to privilege the selected users movement, in particular public transport vehicles. Implemented at the Tri-City the TRISTAR system will also have a module for prioritizing public transport vehicles. The article presents a characteristics of the priority action system: the way of communication with the...
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Właściwości mechaniczne oraz przewodnictwo stałych elektrolitów poliuretanowych w zależności od metody ich otrzymywania i zawartości LiClO4 jako domieszki
PublicationElastomery poliuretanowe, stanowiące polimerowa matrycę badanych układówsyntetyzowano w dwu różnych wariantach z wykorzystaniem jako surowców 4,4'-diizocyjanianu difenylenometanu (MDI), oligo(oksytetrametyleno)diolu (PTMG) i 1,4-butanodiolu(BDO). Otrzymane stałe elektrolity poliuretanowe scharakteryzowano metodą spektroskopiiFTIR-ATR oraz zbadano ich stayczne i dynamiczne właściwości mechaniczne i gęstość. Przewodnictwo jonowe...
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Thermal properties of polyurethanes synthesized using waste polyurethane foam glycolysates
PublicationW pracy przedstawiono wyniki analizy termicznej (DMTA i TG-FTIR) glikolizatów i otrzymanych z nich poliuretanów. Glikolizaty uzyskiwano w reakcji odpadowej pianki poliuretanowej z 1,6 heksametylenodiolem (HDO) przy różnym stosunku masowym pianki do HDO (1:1 - 10:1). Poliuretany syntezowano metodą dwuetapową z prepolimeru (diizocyjanian MDI + glikolizat), który przedłużano handlowym małocząsteczkowym glikolem.
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Music information analysis and retrieval techniques
PublicationCelem artykułu jest przedstawienie kluczowych zagadnień gwałtownie rozwijającej się gałęzi multimediów, reprezentowanej przez systemy automatycznego wyszukiwania informacji muzycznej MIR - Music Information Retrieval, która urasta do samodzielnej dziedziny zastosowań w obrębie informatyki muzycznej. W artykule przedstawiono wybrane systemy wyszukiwania informacji muzycznej oraz przedstawiono przykład takiego systemu, zrealizowanego...
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Enhanced visible light photocatalytic activity of Pt/I-TiO2 in a slurry system and supported on glass packing
PublicationHighly photoactive I/TiO2, Pt/I-TiO2 nanocomposites were obtained using a hydrothermal and wet impregnation method. The incorporation of iodine and modification with 0.05 mol% of platinum leads to enhanced photocatalytic activity as compared to singly doped TiO2 due to the presence of impurity energy level in the structure of TiO2. X-ray diffraction, TEM microscopy, UV–Vis spectroscopy, X-ray photoelectron spectroscopy and BET...
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Enhanced photoelectrochemical performance of inorganic-organic hybrid consisting of BiVO4 and PEDOT:PSS
PublicationThe PEDOT:PSS (poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate)) was electrodeposited on a thin layer of bismuth vanadate (BiVO 4 ) prepared using the pulsed laser deposition technique onto FTO. The inorganic-organic junction was characterized by Raman spectroscopy, UV-Vis spectroscopy and sc anning electron microscopy. Chronoamperometry curves, recorded under simulated solar light illumination,...
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The Analysis of Vodka: A Review Paper
PublicationVodka is the most popular alcoholic beverage in Poland, Russia and other Eastern European countries, made from ethyl alcohol of agricultural origin that has been produced via fermentation of potatoes, grains or other agricultural products. Despite distillation and multiple filtering, it is not possible to produce 100 % ethanol. The solution with a minimum ethanol content of 96 %, which is used to produce vodkas, also contains trace amounts...
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Photochemical Rearrangement of a 19-Membered Azoxybenzocrown: Products and their Properties
PublicationThe preparation and characterization of products of the chemical and photochemical rearrangements of a 19-membered o,o'-azoxybenzocrown were presented. In photochemical rearrangement, besides expected product i.e. 19-membered o-hydroxy-o,o'-azobenzocrown (19-o-OH), obtained under defined conditions with 75% yield, also other macrocyclic products were isolated and identified, namely: 19-membered p-hydroxy-o,o'-azobenzocrown (19-p-OH),...
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The Effect of Sodium Tetrafluoroborate on the Properties of Conversion Coatings Formed on the AZ91D Magnesium Alloy by Plasma Electrolytic Oxidation
PublicationMagnesium and its alloys are widely used in many areas because of their light weight, excellent dimensional stability, and high strength-to-weight ratio. However, the material exhibits poor wear and corrosion resistance, which limits its use. Plasma electrolytic oxidation (PEO) is an effective surface modification method for producing ceramic oxide layers on Mg and their alloys. The influence of the additions of sodium tetrafluoroborate...
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Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ on structural, electrical, and electrochemical properties for potential oxygen electrode of intermediate temperature solid oxide cells
PublicationThis work presents the results of a comprehensive study on the impact of the A-site non-stoichiometry of SrxTi0.3Fe0.7O3-δ (x = 0.90, 0.95, 1.00, 1.05) ceramics on their physicochemical properties. The materials were fabricated by the conventional solid-state reaction method and their structure was determined by X-ray diffractometry, X-ray photoelectron spectroscopy and electron microscopy. Their sintering and thermal expansion...
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The Effect of Titanium Oxyfluoride Morphology on Photocatalytic Activity of Fluorine-Doped Titanium(IV) Oxide
PublicationTitanium oxyfluoride (TiOF2) is a metastable product that can be obtained in a fluorine-rich environment. This material can also be a valuable precursor in the synthesis of titanium(IV) oxide (TiO2). However, the effect of TiOF2 morphology on the physicochemical properties of TiO2 has not been studied so far. In this work, single-phase TiOF2 was prepared by a solvothermal method. The as-synthesized samples exhibited a variety of...
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Frequency Diagnostics of Transformer Insulating Parameters
PublicationIn the article is presented experimental analysis and diagnostics of insulating system oil-paper for power transformers, mainly by progressive frequency method – dielectric spectroscopy. In the 1-st part of the article is described base theory about measurement and diagnostics insulating part (oil and paper) of power transformers. In the 2-nd part of article is described measuring method of insulating frequency diagnostics - frequency...
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Changes on the Surface of the SiO2/C Composite, Leading to the Formation of Conductive Carbon Structures with Complex Nature of DC Conductivity
PublicationSol–gel layers have been the subject of many studies in recent decades. However, very little information exists about layers in which carbon structures are developed in situ. Using the spin-coating method, we obtained thin iron-doped SiO2/C composite films. The results of Raman spectroscopy showed that our samples consisted of graphitic forms and polymers. The latter’s contribution decreases with rising temperature. FTIR and EDS...
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Seismic damage diagnosis in adjacent steel and RC MRFs considering pounding effects through improved wavelet-based damage-sensitive feature
PublicationThis paper aims to propose complex Morlet (cmorfb-fc) wavelet-based refined damage-sensitive feature (rDSF) as a new and more precise damage indicator to diagnose seismic damages in adjacent steel and Reinforced Concrete (RC) Moment Resisting Frames (MRFs) assuming pounding conditions using acceleration responses. The considered structures include 6- and 9-story steel and 4- and 8-story RC benchmark MRFs that are assumed to have...
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Music information retrieval—The impact of technology, crowdsourcing, big data, and the cloud in art.
PublicationThe exponential growth of computer processing power, cloud data storage, and crowdsourcing model of gathering data bring new possibilities to music information retrieval (mir) field. Mir is no longer music content retrieval only; the area also comprises the discovery of expressing feelings and emotions contained in music, incorporating other than hearing modalities for helping this issue, users’ profiling, merging music with social...
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Sestaveni Smerne Krivky Modulu Tuhosti Pro Zkoumani Nizkotrplotnich Vlastnosti (Developing of Stiffness Master Curve for Analysis of Low Temperature Properties)
PublicationV prispevku je predstaven novy postup pro sestrojeni smernych tuhostnich krivek. Nizkoteplotni vlastnosti asfaltove smesi byly stanoveny za vyuziti zkousky dotvarovani pri tribodovem ohybu. Motivem tohoto vyzkumu je skutecnost, ze metody hodnoceni nizkoteplotniho chovani asfaltovych smesi, nove zavedenych v Polsku, nejsou dostatecne. V zaveru jsou prezentovany smerne krivky tuhosti beznych asfaltovych smesi vyuzivanych v Polsku.
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Novel decahedral TiO2 photocatalysts modified with Ru or Rh NPs: Insight into the mechanism
PublicationNovel decahedral TiO2 modified with Ru or Rh NPs were successfully synthesized by hydrothermal method. The effect of metal type as well as amount of noble metal precursor (0.05, 0.1, 0.2, 0.3 and 0.5 wt.%) on the photocatalytic activity were investigated. Decahedral TiO2 decorated by Ru and Rh nanoparticles was prepared by photodeposition method, whereas Rh doped TiO2 was obtained by onestep hydrothermal method with introduction...
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Synthesis, characterization and Luminescent Properties of New Coordination Polymers Based on p-tert Butylcalix[4]arene-tetracarboxylic acid and Lanthanine cations
PublicationA series of new coordination polymers based on p-tert-butylcalix[4]arene-tetracarboxylic acid with Eu3+, Tb3+wrer prepared by hydro and solvothermal methods. the obtained solid compounds were characterized by infrared and luminescence spectroscopy, powder X-ray diffraction, scianning electron microscopy and thermogravimetric anylisis. The infrared curves and the x-ray diffraction patterns indicate that the same crystalline structure...
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Badania termiczne elastomerów poliuretanowych wytworzonych z prepolimerów zsyntetyzowanych z udziałem glikolizatów
PublicationZaprezentowano sposób otrzymywania elastomerów poliuretanowych metodą dwuetapową z prepolimerów zsyntetyzowanych z handlowego diizocyjanianu (MDI) i glikolizatu wytworzonego z poprodukcyjnych odpadów poliuretanowych. W drugim etapie prepolimer poddawano reakcji z mieszaniną glikolu BDO i oligoestrolu (Poles 55/20).Uzyskano materiały o właściwościach elastoplastycznych. Odporność na temperaturę wyznaczono z termogramów TG/DTG,...
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Music query and annotation processes supported by gaze fixation tracking
PublicationCelem artykułu jest przegląd kluczowych zagadnień związanych z automatycznym wyszukiwaniem informacji muzycznej MIR - Music Information Retrieval. W pierwszej kolejności przedstawiono aktualne kierunki badań i rozwiązań systemowych związane z wyszukiwaniem i rekomendacją muzyki. Następnie zaprezentowano eksperymenty przeprowadzone na skonstruowanej bazie muzycznej. Pokazano również propozycję wspomagania procesu wyszukiwania i...
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Właściwości elastomerów poliuretanowych przewidzianych do zastosowania jako rdzeń polimerowy w elementach warstwowych typu SPS
PublicationPrzedstawiono wyniki badań właściwości wytrzymałościowych i termomechanicznych (DMTA)lanych elastomerów uretanowych przeznaczonych na rdzeń polimerowy w układach warstwowych stalowo-polimerowych znanych jako konstrukcje SPS (sandwich plate system). Poliuretany syntetyzowano metodą prepolimerową z diizocyjanianu MDI oraz oligoestroli o różnej budowie i ciężarze cząsteczkowym. Prepolimery przedłużano, za pomocą glikoli, amin lub...
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Doskonalenie funkcjonowania firm produkcyjnych z wykorzystaniem połączonego modelu planowania potrzeb materiałowych i heijunki
PublicationW niniejszej publikacji autorzy zaprezentowali koncepcję połączenia planowania potrzeb materiałowych z harmonogramem heijunka. Przybliżono kluczowe założenia MRP oraz zasady budowy planu produkcji z wykorzystaniem heijunka box. Zaprezentowana przez autorów koncepcja wiąże się z realizacją algorytmu postępowania obejmującego siedem podstawowych kroków. Tego typu połączenie pozwoli na wzrost efektywności realizowanych działań przez...
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Język opisu usług sieciowych WSDL.
PublicationNiniejszy rozdział opisuje WSDL - język opisu usług sieciowych. Rozdział zawiera wprowadzenie w tematykę usług sieciowych (Web Services), również w odniesieniu do innych technologii przetwarzania rozproszonego jak CORBA, RMI. W szczególności przedstawiono podobieństwa i różnice w opisie metod udostępnianych do wywołania klientowi w WSDL oraz IDL. Elementy standardu WSDL omówiono na przykładzie usługi sieciowej do zdalnego uruchomienia...
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Analysis of the Possibility of Using New Types of Protective Coatings and Abrasion-Resistant Linings under the Operating Conditions of the Spiral Classifier at KGHM Polska Miedź S.A. Ore Concentration Plant
PublicationA study was carried out to select the appropriate coatings for corrosion protection of the spiral classifier working at KGHM Polska Miedź S.A. Ore Concentration Plant. The abrasion resistance of selected protective coatings and wear-resistant linings was investigated using a DT-523 rotary abrasion tester with Taber CS-10 rubber abrasive discs. The average weight loss of the coatings after a cycle of 2000 revolutions was determined....
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Preparation and characterization of Pt–N/TiO2 photocatalysts and their efficiency in degradation of recalcitrant chemicals
PublicationSeries of Pt–N/TiO2 photocatalysts were synthesized using the sol–gel method. The photocatalysts’ characteristics by X-ray diffractometry (XRD), scanning transmission electron microscopy (STEM), diffuse reflectance spectroscopy (DRS), X-ray photoelectron spectroscopy (XPS) showed that sample with the molar ratio Ti:N equal 1:4 and platinum nanoparticles size of about 3 nm had anatase structure, about 94 m2/g specific surface area...
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Effect of nitrogen doping on TiOxNy thin film formation at reactive high-power pulsed magnetron sputtering
PublicationThe paper is focused on a study of formation of TiOxNy thin films prepared by pulsed magnetron sputtering of metallic Ti target. Oxygen and nitrogen were delivered into the discharge in the form of reactive gases O2 and N2. The films were deposited by high-power impulse magnetron sputtering working with discharge repetition frequency f = 250 Hz at low (p = 0.75 Pa) and high (p = 10 Pa) pressure. The substrates were on floating...
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Preparation and characterization of monometallic (Au) and bimetallic (Ag/Au) modified-titania photocatalysts activated by visible light
PublicationThe Au-TiO2 and Ag/Au-TiO2 nanoparticles have been prepared using a water-in-oil microemulsion system of water/AOT/cyclohexane and water/Triton X-100/cyclohexane. The obtained photocatalysts were subsequently characterized by a BET method, DRS spectroscopy, X-ray photoelectron emission spectroscopy (XPS), scanning transmission electron microscopy (STEM) and X-ray powder diffraction analysis (XRD). For gold-doped titanium (IV) oxide...
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Unsaturated, biobased polyesters and their cross-linking via radical copolymerization
PublicationBiobased, unsaturated polyesters derived from isosorbide, maleic anhydride and succinic acid were synthesized and characterized. The presence of maleic anhydride units in the structure of the polyesters allowed converting them into cured coatings by radical copolymerization with cross-linking agents such as 2-hydroxyethyl methacrylate, N-vinyl-2-pyrrolidinone, acrylic acid or methacrylamide. The investigated polyesters were obtained...