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The bismuth vanadate thin layers modified by cobalt hexacyanocobaltate as visible-light active photoanodes for photoelectrochemical water oxidation
PublicationBismuth vanadate thin films deposited using the pulsed laser deposition technique were modified using cobalt hexacyanocobaltate (Cohcc). The 2-step method of Cohcc nanocubes preparation was applied: i) metallic cobalt deposition and ii) cobalt electrooxidation in Co(CN)63− containing electrolyte. The presence of CN stretching vibrations was confirmed by Raman spectroscopy. The energy band gap was equal to 2.5 eV and was estimated...
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Cienkie warstwy TiO2: metoda otrzymywania, charakterystyka oraz zastosowania
PublicationGłównym 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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Research and applications of active bearings: A state-of-the-art review
PublicationControllable/active bearings are mainly associated with active magnetic bearings (AMBs), whereas active bearing control is also found in many types of bearings, e.g. fluid, gas and hybrid bearings. The article presents a review of the literature describing the structure and results of studies of active bearings. Active control brings a number of benefits resulting in the fact that their use as a support for rotors becomes increasingly...
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Influence of alkali metal cations on the photoactivity of crystalline and exfoliated amorphous WO3 – photointercalation phenomenon
PublicationIn order to investigate the effect of photointercalation on photoelectrochemical properties, two types of WO3-based photoanodes, bulk and exfoliated have been prepared and investigated. An aqueous exfoliation method is introduced for the simple fabrication of amorphous and hydrated WO3 nanomaterial using commercial bulk WO3 precursor. The comparison of obtained material with bulk WO3 was performed using Raman, UV–vis, and XPS as...
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The Influence of the Co-Dopant Dexamethasone Phosphate on the Electrodeposition Process and Drug-Release Properties of Polypyrrole-Salicylate on Iron
PublicationIn this work, the influence of incorporation of two anti-inflammatory drugs dexamethasone phosphate and sodium salicylate on the electrodeposition process of polypyrrole (PPy) film on iron has been studied. The incorporation of the agents into PPy has been carried out in a one-step electropolymerization process on oxidizable iron. The role of each drug agent during the deposition process has been discussed. The morphological and...
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Synthesis and Structure of Novel Copper(II) Complexes with N,O- or N,N-Donors as Radical Scavengers and a Functional Model of the Active Sites in Metalloenzymes
PublicationToevaluatetheantioxidantactivityofpotentialsyntheticenzymemimetics,wepreparednewfivecopper(II)complexesviaaself‐assemblymethodandnamedthem[Cu(2‐(HOCH2)py)3](ClO4)2(1),[Cu(2‐(HOCH2)py)2(H2O)2]SiF6(2),[Cu2(2‐(HOCH2CH2)py)2(2‐(OCH2CH2)py)2](ClO4)2(3),[Cu(pyBIm)3](BF4)2∙1.5H2O(4)and[Cu(py2C(OH)2)2](ClO4)2(5).ThesyntheticprotocolinvolvedN,O‐ orN,N‐donors:2‐(hydroxymethyl)pyridine(2‐(HOCH2)py),2‐(hydroxyethyl)pyridine(2‐(HOCH2CH2)py),2‐(2‐pyridyl)benzimidazole(pyBIm),di(2‐pyridyl)ke‐tone(py2CO).TheobtainedCu(II)complexeswerefullycharacterisedbyelementalanalysis,FTIR,EPR,UV‐Vis,single‐crystalX‐raydiffractionandHirshfeldsurfaceanalysis.Crystallographicandspectroscopicanalysesconfirmedchromophoresofbothmonomeric({CuN3O3}(1),{CuN2O4}(2),{CuN6}(4),{CuN4O2}(5))anddimericcomplex({CuN2O3}(3)).Mostoftheobtainedspeciespos‐sessedadistortedoctahedralenvironment,exceptdimer3,whichconsistedoftwocoppercentreswithsquarepyramidalgeometries.Thewater‐solublecompounds(1,3and5)wereselectedforbiologicaltesting.Theresultsofthestudyrevealedthatcomplex1insolutionsdisplayedbetterradicalscavengingactivitythancomplexes3,5andfreeligands.Therefore,complex1hasbeenselectedforfurtherstudiestotestitsactivityasanenzymemimetic.Thechosencompoundwastestedontheerythrocytelysateoftwogroupsofpatientsafterundergoingchemotherapyandchemoradiotherapy.Theeffectofthetestedcompound(1)onenzymeactivitylevels(TAS,SODandCAT)suggeststhattheselectedcomplexcanbetreatedasafunctionalmimeticoftheenzymes.
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Scaling Up the Process of Titanium Dioxide Nanotube Synthesis and Its Effect on Photoelectrochemical Properties
PublicationIn this work, for the first time, the influence of scaling up the process of titanium dioxide nanotube (TiO2NT) synthesis on the photoelectrochemical properties of TiO2 nanotubes is presented. Titanium dioxide nanotubes were obtained on substrates of various sizes: 2 × 2, 4 × 4, 5 × 5, 6 × 6, and 8 × 8 cm2. The electrode material was characterized using scanning electron microscopy as well as Raman and UV–vis spectroscopy in order...
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Biobatteries and biofuel cells with biphenylated carbon nanotubes
PublicationSingle-walled carbon nanotubes covalently biphenylated are used for the construction of cathodes in a flow biobattery and in flow biofuel cell. Zinc covered with a hopeite layer is the anode in the biobattery and glassy carbon electrode covered with bioconjugates of single-walled carbon nanotubes with glucose oxidase and catalase is anode of the biofuel cell. The potentials of the electrodes are measured vs. the Ag/AgCl reference...
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New 3D printable filaments with nanodiamonds, physicochemical additives characteristics and electrochemical activity
Open Research DataThis dataset contains the physicochemical analyses (XRD, Raman spectroscopy, BET analyses) and electrochemical analyses (CV, EIS) for a new 3D-printable composite has been developed dedicated to electroanalytical applications. Two types of diamondised nanocarbons - detonation nanodiamonds (DNDs) and boron-doped carbon nanowalls (BCNWs) - were added...
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The BDD electrodes wettability modification by anodic polarization treatment
Open Research DataThe dataset contains the raw images, photographs obtained for the contact angle measurement at the surface of the boron-doped diamond (BDD) electrode. The measurements were carried out on after potentiodynamic polarization procedure, at various anodic polarization scan range (no polarization - HTBDD; 1.0 V; 1.4 V; 1.9 V; 2.5 V vs Ag|AgCl, scan rate...
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Electrical characteristics simulation of top-gated graphene field-effect transistor (GFET) with 10 μm x 10 μm graphene channel
Open Research DataThe presented data set is part of the research on graphene field-effect transistor (GFET) modelling. The calculations were performed with the use of GFET Tool program (https://nanohub.org/resources/gfettool DOI: 10.4231/D3QF8JK5T), which enabled simulation of the drain current (Id) vs. drain voltage (Vd) characteristics for different gate voltages (Vg)...
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Electrical characteristics simulation of top-gated graphene field-effect transistor (GFET) with 10 μm x 3 μm graphene channel
Open Research DataThe presented data set is part of the research on graphene field-effect transistor (GFET) modelling. The calculations were performed with the use of GFET Tool program (https://nanohub.org/resources/gfettool DOI: 10.4231/D3QF8JK5T), which enabled simulation of the drain current (Id) vs. drain voltage (Vd) characteristics for different gate voltages (Vg)...
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The Structure of Entrepreneurial Team Members’ Competencies: Between Effectuation and Causation
PublicationA conscious shaping of entrepreneurial competence is a relevant element of entrepreneurial education. In order to recognize which of the competencies regarded as entrepreneurial are characteristic of members of entrepreneurial teams, which is crucial for the work of those teams, it is necessary to identify the structure of those competencies. This quantitative study was conducted with the use of a survey method and involved 111...
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Giant Reed (Arundo donax L.) Fiber Extraction and Characterization for Its Use in Polymer Composites
PublicationThis work describes an extraction method for giant reed fibers from stems and leaves based on chemical soaking and crushing through a rolling mill. Obtained fibers, together with the shredded plant (stems + leaves), are characterized in terms of chemical composition, thermal stability, morphology, and crystallinity. Mechanical properties of fibers have also been assessed (single fiber tensile tests). The results show that the proposed...
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Degradation of cefadroxil drug by newly designed solar light responsive alcoholic template-based lanthanum ferrite nanoparticles
PublicationIn this work, lanthanum ferrite nanoparticles were synthesized via a simple co-precipitation method. Two different templates, namely sorbitol and mannitol, were used in this synthesis to tune the optical, structural, morphological, and photocatalytic properties of lanthanum ferrite. The synthesized lanthanum ferrite-sorbitol (LFOCo-So) and lanthanum ferrite-mannitol (LFOCo-Mo) were investigated through Ultraviolet–Visible (UV–Vis),...
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Heterojunction of (P, S) co-doped g-C3N4 and 2D TiO2 for improved carbamazepine and acetaminophen photocatalytic degradation
PublicationNovel photocatalysts of phosphorus and sulfur co-doped graphitic carbon nitride incorporated in 2D TiO2 structure were successfully fabricated and applied for solar-driven degradation of emerging pollutants from the group of pharmaceuticals not susceptible to biodegradation. The hybrid photocatalysts with different loadings of (P, S)-doped g-C3N4 were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR),...
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Glutathione conjugation of the antitumor-active 1-nitroacridine derivatives compounds C-857 and C-1748 – the major role of glutathione S-transferase M1-1
Open Research DataObjectives: C-857 and C-1748 are antitumor-active agents, monomers of unsymmetrical bisacridine derivatives. The aim of this study was to analyze their glutathione (GSH) conjugation in vitro in the presence of glutathione S-transferase (GST) M1-1.
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Hyperbolic position location estimation in the multipath propagation environment
PublicationThe efficiency analysis a hyperbolic position location estimation in the multipath propagation environment in the wideband code division multiple access (WCDMA) interface was presented. Four, the most popular methods: Chan's, Foy's, Fang's and Friedlander's were considered. These algorithms enable the calculation of the geographical position of a mobile station (MS) using the time differences of arrival (TDOA) between several base...
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Robust identification of glass breaks acoustic signals based on Wavelet transformation and Rock Solid Attributes.
PublicationStosowane w systemach alarmowych współczesne metody detekcji zbicia szyby, wykorzystują zwykle analizę sygnałów akustycznych towarzyszących temu procesowi. Podstawową metodą identyfikacji jest detekcja kilku charakterystycznych częstotliwości, niestety takie podejście wprowadza możliwość zafałszowania wyniku detekcji przez sygnały fałszywe, które mają zbliżaną charakterystykę widmową. Znacznie lepsze rezultaty osiągnąć można stosując...
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Wpływ obecności kwasów humusowych w oczyszczonych ściekach na jakość wód powierzchniowych
PublicationCelem pracy było porównanie jakości i ilości kwasów humusowych powstających podczas oczyszczania ścieków metodami konwencjonalnymi oraz naturalnymi. Badano jakość ścieków oczyszczanych w trzech oczyszczalniach wysokoefektywnych (Jamno k. Koszalina, Unieście oraz "Wschód" Gdańsk) oraz dwóch oczyszczalniach hydrofitowych (Darżlubie i Wiklino) i porównano z jakością kwasów humusowych z rzeki Wisły w ok. Gdańska.Osiągnięcie celu wymagało...
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Evaluation of Thermal Stresses in Asphalt Layers in Comparison with TSRST Test Results
PublicationThe paper presents the results of calculations and laboratory determination of thermal stresses at low temperatures. The modified Hills and Brien's method was used to calculate the thermal stresses in asphalt layers of pavements and the results were compared against the values obtained at a laboratory with the Thermal Stress Restrained Specimen Test (TSRST) method. The laboratory investigations were conducted using plain grade...
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Spontaneous generation of chirality and chiroptical spectra of N-nitroso-2,4-diaryl-3-azabicyclo[3.3.1]nonanes
PublicationBadane związki o szkielecie 2,4-diarylo-3-azabicyclo[3.3.1]nonanów krystalizują w chiralnej grupie przestrzennej jako konglomeraty, co oznacza że uzyskane, makroskopowej wielkości kryształy można rozdzielić manualnie na dwie grupy zgodnie z asymetrią ich powierzchni. Homochiralne kryształy wybranych enancjomerów zsyntetyzowanych związków poddano badaniom rentgenostrukturalnym oraz zarejestrowano ich widma CD i UV-vis. Konfigurację...
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Aggregation of imidazoacridinones - spectroscopic and microcalorimetric approach
PublicationImidazoacridinones (IA) belong to a group of polycyclic heteroaromatic antitumor compounds. IA create the aggregated form in water solution. Self-association of substances is a very important phenomenon in many fields of applied chemistry. It is also fundamental model reaction of many kinds of molecular interactions such as the micelle formation of amphiphilic substances and the binding of small organic molecules to macromolecules....
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Organic semiconductor rubrene thin films deposited by pulsed laser evaporation of solidified solutions
PublicationOrganic semiconductor rubrene (C42H28) belongs to most preferred spintronic materials because of the high charge carrier mobility up to 40 cm2(V·s)-1. However, the fabrication of a defect-free, polycrystalline rubrene for spintronic applications represents a difficult task. We report preparation and properties of rubrene thin films deposited by pulsed laser evaporation of solidified solutions. Samples of rubrene dissolved in aromatic...
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Ellipsometric investigation of nitrogen doped diamond thin films grown in microwave CH4/H2/N2 plasma enhanced chemical vapor deposition
PublicationThe influence of N2 concentration (1%–8%) in CH4/H2/N2 plasma on structure and optical properties of nitrogen doped diamond (NDD) films was investigated. Thickness, roughness, and optical properties of the NDD films in the VIS–NIR range were investigated on the silicon substrates using spectroscopic ellipsometry. The samples exhibited relatively high refractive index (2.6 6 0.25 at 550 nm) and extinction coefficient (0.05 6 0.02...
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The Effect of Calcination Temperature on Structure and Photocatalytic Properties of WO3/TiO2 Nanocomposites
PublicationSeries ofWO3/TiO2 nanocompositeswere obtained by hydrothermal method followed by calcination in the temperature range from 400∘C to 900∘C. The characteristics of photocatalysts by X-ray diffractometry (XRD), scanning electron microscope (SEM), and diffuse reflectance spectroscopy (DRS) showed that increasing the calcination temperature from 400 to 900∘C resulted in change of photocatalytic activity under UV-Vis light.Moreover,...
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Novel analytical approach for real-time monitoring of volatile Maillard reaction products emitted from the sugar-amino acid model system using proton transfer reaction mass spectrometry
PublicationIn the presented research, volatile Maillard reaction products formation in the two sugar-amino acid model systems, namely glucoselysine and ribose-lysine model systems were investigated using proton transfer reaction mass spectrometry. Obtained data were supported by the reference method, i.e., UV/Vis spectrometry. A number of volatile organic compounds were selected based on the correlation of the effect of Maillard reaction...
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An electrochemical biosensor for the determination of hormone Human Chorionic Gonadotropin (hCG) in human serum
PublicationThis work describes the modification of a gold electrode to create an electrochemical biosensor capable of detecting human chorionic gonadotropin (hCG). The biosensor was obtained by modifying the gold electrode with cysteamine and oligopeptide (PPLRINRHILTR). The modification steps of the gold electrode were confirmed by cyclic voltammetry (CV) and impedance electrochemical spectroscopy (EIS) measurements. The conducted EIS experiments...
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Neural Oscillation During Mental Imagery in Sport: An Olympic Sailor Case Study
PublicationThe purpose of the current study was to examine the cortical correlates of imagery depending on instructional modality (guided vs. self-produced) using various sports-related scripts. According to the expert-performance approach, we took an idiosyncratic perspective analyzing the mental imagery of an experienced two-time Olympic athlete to verify whether different instructional modalities of imagery (i.e., guided vs. self-produced)...
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Stateczność nasypów drogowych ze wzmocnieniem geosyntetycznym
PublicationW Polsce brak norm i aktualnych zaleceń dotyczących projektowania konstrukcji ziemnych z zastosowaniem geosyntetyków. W artykule przedstawiono zasady projektowania nasypów drogowych ze wzmocnień geosyntetycznych podstawy na słabym podłożu gruntowym – posadowionych bezpośrednio oraz na pionowych elementach nośnych, zgodnie z normą BS 8006:2010 i niemieckimi zaleceniami EBGEO 2010. Szczególną uwagę zwrócono na analizę stateczności...
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Lung perfusion parameters in the diagnosis of diabetic pulmonary microangiopathy
PublicationThis paper presents the role of perfusion computed tomography (pCT) in the diagnosis of diabetic pulmonary microangiopathy. Our previous works have shown that perfusion parameters are useful in the diagnosis of diabetic pulmonary microangiopathy. In this article we focus on conditions that are necessary for such the diagnosis and introduce method of classification no microangiopathy vs. microangiopathy based on logistic regression....
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CORFAT Cost effective corrosion and fatigue monitoring for transport products
ProjectsProject realized in Faculty of Ocean Engineering and Ship Technology according to SCP7-GA-2008-218637 agreement from 2008-12-17
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Remote Monitoring System for Impedance Spectroscopy using Wireless Sensor Network
PublicationThe architecture of a miniaturized impedanceanalyser with wireless communication module for remoteImpedance Spectroscopy (IS) of anticorrosion coatings ondifficult-to-reach objects (e.g. on the steel construction ofthe bridge) is described in this paper. Some practical aspectsof implementation of a Wireless Sensor Network (WSN) arealso discussed. A low scale, middle range, WSN networkcomposed of a Base Station (BS) with a Personal...
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Path Loss Modelling for Location Service Applications
PublicationThe aim of this paper is the path loss modeling for the radiolocation services in radiocommunication networks, particularly in cellular networks. The main results of the measurements obtained in the physical layer of the UMTS are introduced. A new method for the utilization of the multipath propagation phenomenon to improve the estimation of the distance between the mobile station (MS) and the base station (BS) is outlined. This...
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Comparative Analysis of Laboratory-Made and Industrial-Made Sewage Sludge Ash: Implications for Effective Management Strategy Development
Publicationfirst_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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Exploring avian exposure to parent polycyclic aromatic hydrocarbons (PAHs): Using the common eider Somateria mollissima in a global context
PublicationCompared to other organic contaminants, birds are rarely studied for their exposure to polycyclic aromatic hydrocarbons (PAHs), mainly due to their effective metabolization of parent PAHs. However, as some studies suggest, exposure to PAHs may result in adverse health effects including decreased survival, especially following oil spills. In the present study, we analyzed samples from a sea duck, the common eider Somateria mollissima...
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Insulin-like growth factor type 2 is better than insulin-like growth factor type 1 a survival marker in patients after acute decompensation of heart failure
PublicationIntroduction:A decreased IGF-1 has been found in heart failure (HF). There are no reports assessing IGF-2 in HF, although in vitro study has shown, that IGF-2 stimulates cardiomyocyte proliferation more than IGF-1. The study aim was to compare the IGF-1 and IGF-2 concentration depending on HF exacerbation and annual survival.Material and methods:Among 75 patients hospitalized...
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Lower rim substituted tert-butylcalix[4]arenes.Part 8: Calix[4]arenes with dialkoxyphosphoryl functions. Synthesis and complexing properties
PublicationW pracy przedstawiono syntezę i charakterystykę otrzymanych związków (1, 2), pochodnych alkoksyfosforylowych p-tert-butylokaliks[4]arenu: 5,11,17,23-tetra-tert-butylo-25,26,27,28-tetrakis(3-diizopropoksyfosforylopropoksy)kaliks[4]arenu (1) oraz 5,11,17,23-tetra-tert-butylo-25,26,27,28-tetrakis(3-methoksyetoksyfosforylopropoksy)kaliks[4]arenu (2). Zbadano właściwości jonoforowe związków 1 i 2 w membranie elektrod jonoselektywnych,...
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Bioactive and biodegradable cotton fabrics produced via synergic effect of plant extracts and essential oils in chitosan coating system
PublicationFunctional antibacterial textile materials are in great demand in the medical sector. In this paper, we propose a facile, eco-friendly approach to the design of antibacterial biodegradable cotton fabrics. Cotton fiber fabrics were enhanced with a chitosan coating loaded with plant extracts and essential oils. We employed Fourier-transform infrared (FTIR) and X-ray photoelectron spectroscopy (XPS), UV–Vis spectrophotometry, optical...
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An air-assisted dispersive liquid phase microextraction method based on a hydrophobic magnetic deep eutectic solvent for the extraction and preconcentration of melamine from milk and milk-based products
PublicationIn the current research, a fast and sustainable air-assisted hydrophobic magnetic deep eutectic solvent-based dispersive liquid phase microextraction followed by UV–Vis spectrophotometry measurements was optimized for the extraction and determination of melamine in milk and milk-based products. The central composite design was applied for the optimization of factors affecting the recovery of melamine. Quantitative extraction of...
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Comparison of calculated and measured thermal stresses in asphalt concrete
PublicationThe paper presents the comparison of calculated and measured thermal stresses induced in restrained asphalt concrete specimens by cooling. Thermal stresses were measured in the Thermal Stress Restrained Specimen Test. The calculations of thermal stresses were performed with the use of a theoretical formula based on the temperature dependent stiffness modulus. The novel approach applied in this paper was that the stiffness modulus...
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l-ascorbic acid modified poly(ester urethane)s as a suitable candidates for soft tissue engineering applications
PublicationIn this paper we created novel poly(ester urethane)s (PESUs) designed specifically for tissue engineering. The PESUs were derived from oligomeric α,ω-dihydroxy(ethylene-butylene adipate) (dHEBA), 1,4-butanediol (BDO) and aliphatic 1,6-hexamethylene diisocyanate (HDI) and modified with l-ascorbic acid to improve their biocompatibility. In addition, we determined their mechanical properties (such as tensile strength, elongation at...
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Characterization of TiO2 Modified with Bimetallic Ag/Au Nanoparticles Obtained in Microemulsion System
PublicationFotokatalizatory TiO2 modyfikowane nanocząstkami bimetalicznymi Ag/Au przygotowano metodą mikroemulsyjną w układzie woda/surfaktant/cykloheksan. Aktywność fotokatalityczna próbek Ag/Au-TiO2 oszacowano przez wyznaczenie stopnia degradacji fenolu pod wpływem światła VIS. Fenol został użyty jako model zanieczyszczeń, ponieważ jest substancją niebezpieczną dla środowiska. Najwyższą aktywność w zakresie światła widzialnego wykazała...
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Automatic Watercraft Recognition and Identification on Water Areas Covered by Video Monitoring as Extension for Sea and River Traffic Supervision Systems
PublicationThe article presents the watercraft recognition and identification system as an extension for the presently used visual water area monitoring systems, such as VTS (Vessel Traffic Service) or RIS (River Information Service). The watercraft identification systems (AIS - Automatic Identification Systems) which are presently used in both sea and inland navigation require purchase and installation of relatively expensive transceivers...
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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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Graphene Oxide as Mine of Knowledge: Using Graphene Oxide To Teach Undergraduate Students Core Chemistry and Nanotechnology Concepts
PublicationThe aim of this laboratory experiment is to utilize graphene oxide (GO) material to introduce under-graduate students to many well-known concepts of general chemistry. GO is a new nanomaterial that has generated worldwide interest and can be easily produced in every well-equipped undergraduate chemical laboratory. An in-depth examination of GO synthesis, as well as a study of its structure and properties, allows students to familiarize...
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An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor−Acceptor Dye Assisted by Resonance Raman Spectroscopy
PublicationThe excitation energies and gradients in the ground and the first excited state of a novel donor−(π- bridge)−acceptor 4-methoxy-1,3-thiazole-based chromophore were investigated by means of MS-RASPT2/RASSCF and TDDFT in solution. Within both methods, the excitation energies strongly depend on the employed equilibrium structures, whose differences can be rationalized in terms of bond length alternation indexes. It is shown that functionals with...
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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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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Novel Structures and Applications of Graphene-Based Semiconductor Photocatalysts: Faceted Particles, Photonic Crystals, Antimicrobial and Magnetic Properties
PublicationGraphene, graphene oxide, reduced graphene oxide and their composites with various compounds/materials have high potential for substantial impact as cheap photocatalysts, which is essential to meet the demands of global activity, offering the advantage of utilizing “green” solar energy. Accordingly, graphene-based materials might help to reduce reliance on fossil fuel supplies and facile remediation routes to achieve clean environment...