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Search results for: 13c nmr
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Properties of Thermally Dewetted Thin Au Films on ITO-Coated Glass for Biosensing Applications
PublicationNoble metal nanostructures are object of great interest due to their unique optical and electronic properties exploited in nanotechnology, medicine, biochemistry, and surface-enhanced spectroscopies. In this work, the Au nanoparticle (NP) structures for application in biosensing obtained by dewetting are investigated in dependence on their preparation conditions. Structures are produced from thin Au films (5–30 nm) sputtered onto...
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Study of ZrS3-based field-effect transistors toward the understanding of the mechanisms of light-enhanced gas sensing by transition metal trichalcogenides
PublicationExtending knowledge of the properties of low-dimensional van der Waals materials, including their reactivity to the ambiance, is important for developing innovative electronic and optoelectronic devices. Transition metal trichalcogenides with tunable optical band gaps and anisotropic conductivity are an emerging class among low- dimensional structures with the possibility of gate tunability and photoreactivity. These properties...
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Interferometric Sensor of Wavelength Detuning Using a Liquid Crystalline Polymer Waveplate
PublicationOperation of a polarization interferometer for measurement of the wavelength changes of a tunable semiconductor laser was investigated. A lambda/8 waveplate made from liquid crystalline polymer is placed in one of interferometers’ arms in order to generate two output signals in quadrature. Wavelength was measured with resolution of 2 pm in the wavelength range 628–635 nm. Drift of the interferometer, measured in the period of 500...
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The influence of small amount of substances present in tissue on the optical spectrum of immunosuppressive drug
PublicationIn this paper, we describe how commonly present in tissue substances - sodium chloride and glucose - affect the optical spectrum of an immunosuppressive drug (Cyclaid® by Apotex). Prepared samples were investigated using the spectrophotometer in the spectrum range from 250 nm to 1100 nm. The maximum wavelength shift calculated on the basis of measurement results is not bigger than the measurement wavelength step. So, it can be...
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Remarkable visible-light induced hydrogen generation with ZnIn2S4 microspheres/CuInS2 quantum dots photocatalytic system
PublicationA new and active material in the form of ZnIn2S4 microspheres decorated by CuInS2 quantum dots have been obtained by hydrothermal method for the first time. The optimum amount of CuInS2 quantum dots (1.13 wt.%) introduced into rection medium during ZnIn2S4 microspheres synthesis increased the photocatalytic H2 generation rate by 2.5 times than that of bare ZnIn2S4 photocatalysis under visible light irradiation. This sample exhibited...
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High-Resolution, Broad-Range Detection Setup for Polarimetric Optical Fiber Sensors
PublicationA common-path polarization interferometer using a Wollaston prism and an area detector for the measurement of retardation or optical path difference is presented. Employing a moderate-resolution 1280 by 1024 pixel monochrome camera, it offers a measurement range of approximately 780 radians at 830 nm and 1350 radians at 515 nm while maintaining a high measurement resolution. Retardation introduced by a zero-order waveplate or a...
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Stress Detection of Children With ASD Using Physiological Signals
PublicationThis paper proposes a physiological signal-based stress detection approach for children with autism spectrum disorder (ASD) to be used in social and assistive robot inter- vention. Electrodermal activity (EDA) and blood volume pulse (BVP) signals are collected with an E4 smart wristband from children with ASD in different countries. The peak count and signal amplitude features are derived from EDA signal and used in order to detect...
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Fundamenty budynku mieszkalno-usługowego ''Transatlantyk'' w Gdyni
PublicationBudynek ma 13 kondygnacji i kubaturę 57000 m3. Obudowę wykopu głębokości ponad 7 m pod częścią podziemną budynku ( o powierzchni 2500 m2) stanowiły ściany szczelinowe grubości 60 cm, rozparte rurami stalowymi śrdnicy 508 mm.
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IMPACT OF DIRECT CURRENT ON NITRIFYING BIOMASS
PublicationEffects of short term exposure of nitrifying biomass to direct current were studied. DC was applied to mixed liquor from municipal BNR plant using graphite electrodes in no substrate limiting conditions. Both, ammonia oxidizing bacteria (AOB) and nitrite oxidizing bacteria (NOB) populations were affected by the current, however in opposite ways. The AOB population activity was inhibited by applied voltage. Activity decrease was...
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Zwalczanie bakterii nitkowatych Nocardia w Kielnie
PublicationW pracy przedstawiono wyniki badań nad efektywnością zwalczania bakterii Nocardia za pomocą w gminnej oczyszczalni ścieków w Kielnie. W badaniach zastosowano dwa reagenty: blendę (zawierającą polichlorek glinu i polimer kationowy) w dawce 3 g Al3+/(kgs.m.d), oraz BC-100 PL (będący preparatem soli nieorganicznych i polimerów organicznych) w początkowej dawce 135 mg/dm3 ścieków a następnie 1 g/(kgs.m.d). Uzyskane wyniki wykazały,...
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Propagowanie elektrotechniki w latach 20 i 30 XX wieku na przykładzie samouczków technicznych Wydawnictwa Brunona Kotuli
PublicationW artykule przedstawiono serię Samouczków technicznych, wydawanych w latach 20 i 30 XX wieku w Cieszynie przez znanego księgarza i wydawcę Brunona Kotulę. Seria obejmuje ok. 135 pozycji, z czego znaczną część poświęcono różnorodnym tematom związanym z elektrotechniką. Opisano przykładowe rozwiązania propagowane w Samouczkach, takie jak budowę induktora Ruhmkorffa, pozwalającego uzyskać wysokie napięcie, budowę transformatora Tesli,...
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Wplyw natlenienia złóż hydrofitowych na efektywność usuwania zanieczyszczeń
PublicationBadania prowadzono w trzech hybrydowych systemach hydrofitowych (HSH): Wiklinie, Wieszynie i Wiedersbergu. Obiekty charakteryzowały się różnym ładunkiem doprowadzanej substancji organicznej. Określenie jakości substancji organicznej w ściekach polegało na przeprowadzeniu analizy specjacji substancji organicznej zgodnie z metodyką podaną w niemieckich wytycznych ATV-131 (1995). Na podstawie analizy frakcji ChZT wykazano, że szybkość...
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Analiza morfologiczna pyłów atmosferycznych województwa pomorskiego z wykorzystaniem mikroskopii elektronowej
PublicationW trakcie badań wykonano 133 zdjęć, 30 siatek mikroskopowych na mikroskopie Tesla BS500. Łącznie sklasyfikowano 2438 pyłów z 3 różnych źródeł. Obserwacje preparatów przeprowadzono przy następujących parametrach pracy TEM: napięcie przyśpieszające: 60 kV, czułość: 2, czas naświetlania: 1,25 s, powiększenie: 1000 ÷ 14000x. Obliczano następujące parametry morfologiczne pyłów: powierzchnia, długość, szerokość, średnica Fereta, obwód,...
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Magnetizability of the relativistic hydrogenlike atom in an arbitrary discrete energy eigenstate: Application of the Sturmian expansion of the generalized Dirac-Coulomb Green function
PublicationThe Sturmian expansion of the generalized Dirac--Coulomb Green function [R.\/~Szmytkowski, J.\ Phys.\ B 30 (1997) 825; erratum 30 (1997) 2747] is exploited to derive a closed-form expression for the magnetizability of an arbitrary discrete state of the relativistic one-electron atom with a point-like, spinless and motionless nucleus of charge $Ze$. The result has the form of a double finite sum involving the generalized hypergeometric...
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Nuclear magnetic shielding constants of Dirac one-electron atoms in some low-lying discrete energy eigenstates
PublicationWe present tabulated data for the nuclear magnetic shielding constants (σ) of the Dirac one-electron atoms with a pointlike, motionless and spinless nucleus of charge Ze. Utilizing the exact general analytical formula for σ derived by us (Stefańska, 2016) valid for an arbitrary discrete energy eigenstate, we have computed the numerical values of the magnetic shielding factors for the ground state and for the first and the second...
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Postrzegana użyteczność serwisu www, zaufanie i satysfakcja użytkowników a ich lojalność – model teoretyczny i wyniki badania
PublicationW pracy zaprezentowano wyniki badania, w którym weryfikowano oddziaływanie postrzeganej użyteczności serwisu www na lojalność użytkowników przez dwie zmienne pełniące funkcję mediatorów, to znaczy zaufanie i satysfakcję użytkowników. Badanie przeprowadzono wśród 136 studentów w odniesieniu do serwisu www określonego wydziału jednej z krajowych uczelni za pomocą ankiety internetowej. Wyniki badania wskazują, że postrzegana użyteczność...
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Ti-Fe2O3/In2O3 as photoactive material: The role of the substrate in photoelectrochemical water oxidation
PublicationThe layers of Ti-Fe2O3/In2O3 were prepared on the different substrates using hydrothermal method: Ti/TiO2 nanotubes, Ti foil, FTO and FTO/TiO2. Materials were characterized using scanning electron microscopy, XRD, Raman, UV-Vis, and X-ray photoelectron spectroscopy and tested as photoanodes for water oxidation under illumination. The formation of heterojunction on the TiO2 nanotubes increases photocurrent of water oxidation at...
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The efficiency of biological nutrients removal in WWTP`s "Wschód" in Gdańsk (Poland)
PublicationRozbudowana w latach 1997-99 oczyszczalnia ścieków Wschód w Gdańsku zapewnia wysokoefektywne oczyszczanie ścieków odprowadzanych do wód Zatoki Gdańskiej Morza Bałtyckiego. Zrealizowany układ technologiczny biologicznego oczyszczania ścieków o przepustowości 180 tys. m3 na dobę jest złożony z sześciu reaktorów MUCT, z których każdy współpracuje z dwoma osadnikami wtórnymi. W artykule podsumowano okres pierwszych trzech lat eksploatacji...
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Protective properties of Al2O3 + TiO2 coating produced by the electrostatic spray deposition method
PublicationMechanical resistance of Al2O3 + TiO2 nanocomposite ceramic coating deposited by electrostatic spray deposition method onto X10CrAlSi18 steel to thermal and slurry tests was investigated. The coating was produced from colloidal suspension of TiO2 nanoparticles dispersed in 3 wt% solution of Al2(NO3)3, as Al2O3 precursor, in ethanol. TiO2 nanoparticles of two sizes, 15 nm and 32 nm, were used in the experiments. After deposition,...
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Evaluation and rationale of the performance of several elastomeric composites incorporating devulcanized EPDM
Publicationthylene Propylene Diene rubber (EPDM), is present in many applications. However, its crosslinked structure makes difficult its recycling. The use of devulcanized EPDM, (dEPDM) as a component of elastomeric composites, is a real possibility to reuse EPDM scraps. In this study, three matrices (natural rubber (NR), styrene butadiene rubber (SBR) and EPDM rubber) have been tested including devulcanized EPDM as a recycled component....
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Kinetics and mechanism of the chemically modified starches during gelatinization.
PublicationNative starch was silicated by means of microwave-assisted reactions with varying doses of reagents. Resulting products were characterized by DSC and HMR-relaxation methods. It was observed that the hydratation of the silicated starches during gelatinization decreases when compared to that of the native potato starch. The amount of unfrozen water for ungelitinizated silicated starches are less than in control samples. At the same...
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Comparative conformance cases for monitoring multiple implementations of critical requirements
PublicationThe paper presents the concept and the mechanism of comparative conformance cases which support conformance monitoring in situations where a standard or other set of requirements are being implemented at multiple sites. The mechanism is enabled by NOR-STA services which implement the TRUST-IT methodology and are deployed in the cloud in accordance with the SaaS model. In the paper we introduce the concept of comparative conformance...
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Synthesisand cytotoxic activity of conjugates of muramyl and normuramyl dipeptides with batracylin derivatives
PublicationOpisano syntezę analogów MDP oraz nor-MDP modyfikowanych w części peptydowej batracyliną i pochodnymi batracyliny. Opracowano udoskonaloną metodę syntezy batracyliny. Zaproponowana metoda pozwala na otrzymanie BAT w skali multi-gramowej. Zsyntetyzowane analogi nie wykazały aktywności cytotoksycznej w badaniach prowadzonych w NCI (Bethesda, USA). W testach in vitro przeprowadzonych w Akademii Medycznej w Gdańsku dwa analogi redukowały...
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Effect of Maximal Breath Hold Apnea on Pial Artery Pulsation and Subarachnoid Width in Human
PublicationLittle is known about intracranial pressure (ICP)-cerebral hemodynamic interplay during maximal breath-hold apnea. A recently developed method based on near-infrared transillumination/backscattering sounding (NIR-T/BSS) noninvasively measures changes in pial artery pulsation (cc-TQ) as well as subarachnoid width (sas-TQ) in humans. Changes in sas-TQ correlate with ICP to a considerable extent, whereas cc-TQ reflects the functional...
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Cost-efficient multi-objective design optimization of antennas in highly-dimensional parameter spaces
PublicationMulti-objective optimization of antenna structures in highly-dimensional parameter spaces is investigated. For expedited design, variable-fidelity EM simulations and domain patching algorithm are utilized. The results obtained for a monopole antenna with 13 geometry parameters are compared with surrogate-assisted optimization involving response surface approximation modeling.
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Spray pyrolysis of doped-ceria barrier layers for solid oxide fuel cells
PublicationGadolinium doped ceria (Ce0.8Gd0.2O2 − x-CGO) layer fabricated by spray pyrolysis is investigated as the diffusion barrier for solid oxide fuel cell. It is deposited between the La0.6Sr0.4FeO3 − δ cathode and the yttria stabilized zirconia electrolyte to mitigate harmful interdiffusion of elements. The parameters of the fabrication process are linked to the measured area specific resistances of the symmetrical cells and the efficiency...
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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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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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A novel luminescent chemical sensor for the determination of Pb 2+ and Cu 2+ ions
PublicationSilica xerogel surface grafted with aminopropyl (PrNH2) groups was additionally treated by cetyltrimethylammonium bromide (CTAB) surfactant and ascorbic acid (asc) in alkaline solution. This material symbolized as SiO2-PrNH2-CTAB/asc, proved to be a stable luminescent material, exhibited an emission band peaked at 393 nm under excitation wavelength 335 nm. Time evolution of the band intensity suggests changes of defect concentration...
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Brownian Motion in Optical Tweezers, a Comparison between MD Simulations and Experimental Data in the Ballistic Regime
PublicationThe four most popular water models in molecular dynamics were studied in large-scale simulations of Brownian motion of colloidal particles in optical tweezers and then compared with experimental measurements in the same time scale. We present the most direct comparison of colloidal polystyrene particle diffusion in molecular dynamics simulations and experimental data on the same time scales in the ballistic regime. The four most...
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Otrzymywanie i właściwości nanocząstek magnetycznych
PublicationNanomagnetyzm to dział fizyki zajmujący się badaniem własności magnetycznych obiektów, których przynajmniej jeden wymiar jest mniejszy niż 100 nm.
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OPINIA TECHNICZNA nr 8/PG/mosty Sprawowanie nadzoru naukowo-technicznego podczas opracowywania projektów obiektów hydrotechnicznych, mostowych i drogowych w ramach realizacji przedsięwzięcia pn. „Budowa drogi wodnej łączącej Zalew Wiślany z Zatoka Gdańską” Opinia uzupełniająca do 5/PG/mosty w zakresie mechanizmów zastosowanych na przekopie po przedstawieniu przez projektanta wyciągu z obliczeń
PublicationOpinię przygotowano w ramach prowadzonego nadzoru naukowo-technicznego podczas opracowywania projektów obiektów hydrotechnicznych, mostowych i drogowych w ramach realizacji przedsięwzięcia pn. „Budowa drogi wodnej łączącej Zalew Wiślany z Zatoka Gdańską”.
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OPINIA TECHNICZNA nr 9/PG/hydrotechnika Sprawowanie nadzoru naukowo-technicznego podczas opracowywania projektów obiektów hydrotechnicznych, mostowych i drogowych w ramach realizacji przedsięwzięcia pn. „Budowa drogi wodnej łączącej Zalew Wiślany z Zatoka Gdańską” Opinia uzupełniająca do 5/PG/hydrotechnika w zakresie obliczeń dot. sztucznej wyspy po uwzględnieniu uwag NN przez projektanta.
PublicationOpinię przygotowano w ramach prowadzonego nadzoru naukowo-technicznego podczas opracowywania projektów obiektów hydrotechnicznych, mostowych i drogowych w ramach realizacji przedsięwzięcia pn. „Budowa drogi wodnej łączącej Zalew Wiślany z Zatoka Gdańską”.
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Covalent DNA modification by products of myrosinase catalysed glucosinolate degradation in cell-free system
PublicationThe bioactive phytochemicals found in Brassica vegetables belonging to glucosinolates (GLS) and especially the products of their degradation isothiocyanates (ITC) and indoles are regarded as the most promising cancer chemopreventive compounds. These secondary metabolites constitute defence system repelling or preventing the development of agrophages attacking brassica plants. The antibiological properties of these compounds suggest...
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Validation of Services Supporting Healthcare Standards Conformance
PublicationThe paper presents the results of experimental validation of a set of innovative software services supporting processes of achieving, assessing and maintaining conformance with standards and regulations. The study involved several hospitals implementing the Accreditation Standard promoted by the Polish Ministry of Health. First we introduce NOR-STA services that implement the TRUST-IT methodology of argument management. Then we...
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Poll Reader - the working prototype of optical mark recognition software
PublicationAutomatyczne rozpoznawanie zaznaczeń wydaje się stosunkowo prostym zadaniem z dziedziny przetwarzania dokumentów, a komercyjne systemy OMR są dostępne na rynku już od dłuższego czasu. Zdecydowaliśmy się jednak na stworzenie prostego darmowego oprogramowania, które mogłoby być wykorzystywane przez uczelnie zobowiązane do przeprowadzania ankiet wśród studentów. W rozdziale opisano konstrukcję programu oraz najważniejsze algorytmy...
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Opinia techniczna dotycząca oceny przeprowadzonych robót ziemnych oraz przyjętych rozwiązań geotechnicznych w projekcie budowlanym w kontekście wpływu na podłoże gruntowe i obiekt budowlany działki sąsiedniej.
PublicationCelem opinii jest ocena wpływu robót ziemnych wykonywanych na działce nr 396 obręb 0019 położonej w Gdyni Małym Kacku, przy ul. Radomskiej 21, na pogorszenie stanu gruntu i możliwość wystąpienia awarii budynku położonego na działce nr 395 obręb 0019 w Gdyni Małym Kacku przy ul. Radomskiej 19. Opinia odnosi się również do rozwiązań geotechnicznych zawartych w projekcie budowlanym, które mogły mieć wpływ na zaistnienie sytuacji awaryjnych...
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Preparation and photocatalytic activity of Nd-modified TiO2 photocatalysts: Insight into the excitation mechanism under visible light
PublicationTitanium dioxide (TiO2) nanoparticles (NPs) modified with neodymium (Nd) in the range between 0.1 and 1.0 mol% were prepared via the hydrothermal method. The samples obtained were characterized by diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), X-ray fluorescence (EDX), Brunauer–Emmett–Teller (BET) method, X-ray powder diffraction analysis (XRD), X-ray photoelectron spectroscopy (XPS) and photoluminescence...
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Serotonergic–Muscarinic Interaction within the Prefrontal Cortex as a Novel Target to Reverse Schizophrenia-Related Cognitive Symptoms
PublicationRecent studies revealed that the activation of serotonergic 5-HT1A and muscarinic M1, M4, or M5 receptors prevent MK-801-induced cognitive impairments in animal models. In the present study, the effectiveness of the simultaneous activation of 5-HT1A and muscarinic receptors at preventing MK-801-induced cognitive deficits in novel object recognition (NOR) or Y-maze tests was investigated. Activators of 5-HT1A (F15599), M1 (VU0357017),...
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Tailoring properties of indium tin oxide thin films for their work in both electrochemical and optical label-free sensing systems
PublicationThis work is devoted to the identification properties of indium tin oxide (ITO) thin films responsible for their possible application in combined optical and electrochemical label-free sensing systems offering enhanced functionalities. Since any post-processing would make it difficult to identify direct relation between deposition parameters and properties of the ITO films, especially when deposition on temperature-sensitive substrates...
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Engineering Au nanoparticle arrays on SiO2 glass by pulsed UV laser irradiation
PublicationWe study semi-regular arrays of Au nanoparticles (NP) obtained via UV laser irradiation of thin Au films on glass substrate. The NP structures are prepared from films of a thickness up to 60 nm produced by discharge sputtering or pulsed laser deposition, and annealed by nanosecond laser pulses at 266 or 308 nm, respectively, at fluencies in the range of 60-410 mJ/cm2. For the rare- and close-packed NP structures, consistent description...
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Highly Visible-Light-Photoactive Heterojunction Based on TiO2 Nanotubes Decorated by Pt Nanoparticles and Bi2S3 Quantum Dots
PublicationA heterojunction with excellent visible light response and stability based on titanium dioxide nanotubes (TiO2 NTs), bismuth sulfide quantum dots (Bi2S3 QDs), and platinum nanoparticles (Pt NPs) is proposed. Both Pt NPs (3.0 ± 0.2 nm) and Bi2S3 QDs (3.50 ± 0.20 nm) are well distributed on the (i) top parts, (ii) inner walls, and (iii) outer walls of the TiO2 NTs. Visible-light-induced photoreaction was initialized by excitation...
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Enhanced visible light-activated gas sensing properties of nanoporous copper oxide thin films
PublicationMetal oxide gas sensors are popular chemoresistive sensors. They are used for numerous tasks, including environmental and safety monitoring. Some gas-sensing materials exhibit photo-induced properties that can be utilized for enhanced gas detection by modifying the sensor selectivity and sensitivity when illuminated by light. Here, we present the gas sensing characteristics of highly nanoporous Cu2O thin films towards both electrophilic...
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Synthesis and Spectroscopic Characterization of Selected Phenothiazines and Phenazines Rationalized Based on DFT Calculation
PublicationTwo unique structures were isolated from the phosphorylation reaction of 10H-phenothiazine.The 5,5-dimethyl-2-(10H-phenothiazin-10-yl)-1,3,2-dioxaphosphinane 2-oxide (2a) illustrates theproduct of N-phosphorylation of phenothiazine. Moreover, a potential product of 2a instability,a thiophosphoric acid 2b, was successfully isolated and structurally characterized. Molecule 2a,similarly to sulfoxide derivative...
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Methods for Elucidation of DNA-Anticancer Drug Interactions and Their Applications in the Development of New Drugs
PublicationDNA damaging agents including anthracyclines, camptothecins and platinum drugs are among most frequently used drugs in the chemotherapeutic routine. Due to their relatively low selectivity for cancer cells, administration is associated with adverse side effects, whereas the inherent genotoxicity of these drugs is associated with risk of developing secondary cancers. Development of new drugs, which could be spared of these drawbacks...
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An investigation on the chemistry of the R2P=P ligand: reactions of a phosphanylphosphinidene complex of tungsten(VI) with electrophilic reagents
PublicationThe nucleophilic properties of the title compound [(2,6-i-Pr2C6H3N)2(Cl)W(η2-t-Bu2PvP)]Li·3DME (1) were investigated in reactions with selected electrophilic reagents such as MeI, M(CO)5THF (M = Cr, Mo, W), AlCl3, and GaCl3. Methylation of 1 by MeI yields phosphanylphosphido complexes [(2,6-i-Pr2C6H3N)2W(X)(1,2-η-t-Bu2PvP–CH3)] (X = Cl, I) (2-Cl/2-I) with the formation of a new P–C bond. Moreover, 1 reacts with electrophilic compounds...
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Photoresponsive Amide-Based Derivatives of Azobenzene-4,4′-Dicarboxylic Acid—Experimental and Theoretical Studies
PublicationAzobenzene derivatives are one of the most important molecular switches for biological and material science applications. Although these systems represent a well-known group of compounds, there remains a need to identify the factors influencing their photochemical properties in order to design azobenzene-based technologies in a rational way. In this contribution, we describe the synthesis and characterization of two novel amides...
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Structural and spectroscopic analysis of a new family of monomeric diphosphinoboranes
PublicationWe present a series of amino- and aryl(diphosphino)boranes R2PB(R’’)PR’2, where R2P, R’2P = tBu2P, tBuPhP, Ph2P, Cy2P, and R’’ = iPr2N, Ph, which were obtained via the metathesis reaction of iPr2NBBr2 or PhBBr2 with selected lithium phosphides. The structures of isolated diphosphinoboranes were characterized in the solid state and in solution by means of X-ray diffraction and NMR spectroscopy, respectively. The utility of these...
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Synthesis, structural characterization and reactivity of new trisubstituted N1-acylamidrazones: solid state and solution studies
PublicationA series of new linear trisubstituted N1-acylamidrazones have been investigated using a variety of analytical techniques and theoretical calculations to check the influence of the type of N1-acyl substituent on the resonance forms and conformational behavior in the solid state and in solution. The 1D- and 2D-NMR experiments, supported by computational studies, revealed that in solution all amidrazones exhibit conformational syn/anti...