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Synthesis and polymerisation techniques of molecularly imprinted polymers
PublicationMolecularly Imprinted Polymers (MIPs) are materials that has been processed using the molecular imprinting technique which permit to obtain well-defined three-dimensional cavities, with affinity to a template molecule, in the polymer matrix. Technology involves three strategies, i.e., covalent, non-covalent and semi-covalent approach, but the most popular is non-covalent approach. The most important components for the synthesis...
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Calculation of Vibrational Resonance Raman Spectra of Molecules Using Quantum Chemistry Methods
PublicationThe understanding and interpretation of experimental resonance Raman (RR) spectra can strongly benefit from theoretical simulations. These can be achieved by combining quantum chemistry (QC) methods to calculate the electronic and vibrational molecular properties, together with appropriate models and approximations to compute the Raman intensities. This chapter presents the main and most commonly employed approaches to calculate...
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Redundant information encoding in QED during decoherence
PublicationBroadly understood decoherence processes in quantum electrodynamics, induced by neglecting either the radiation [L. Landau, Z. Phys. 45, 430 (1927)] or the charged matter [N. Bohr and L. Rosenfeld, K. Danske Vidensk. Selsk, Math.-Fys. Medd. XII, 8 (1933)], have been studied from the dawn of the theory. However, what happens in between, when a part of the radiation may be observed, as is the case in many real-life situations, has...
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Hybrid Technique Combining the FDTD Method and Its Convolution Formulation Based on the Discrete Green's Function
PublicationIn this letter, a technique combining the finite-difference time-domain (FDTD) method and its formulation based on the discrete Green's function (DGF) is presented. The hybrid method is applicable to inhomogeneous dielectric structures that are mutually coupled with wire antennas. The method employs the surface equivalence theorem in the discrete domain to separate the problem into a dielectric domain simulated using the FDTD method...
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High Frequency Harmonics Emission of Modern Power Electronic AC-DC Converters
PublicationModern AC/DC converters with bidirectional power flow employing PWM boost topology generate harmonic distortions of input current in relatively high frequency range tightly related to modulation carrier frequency. These frequencies and its multiples in typical applications are usually located in frequency range from single up to several of kHz. Increased harmonic emission in this frequency range can easily and harmfully influence...
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Superconductivity and itinerant ferromagnetism of Y9Co7 probed by ac susceptibility
PublicationThe ac magnetic susceptibility of a single crystal sample of the compound Y9Co7 has been measured in applied dc fields ranging from 0–6.7 kOe by utilizing a tunnel diode resonator circuit. In agreement with previous measurements on this material, a superconducting transition has been observed to occur at TSC ≈ 2.5 K. A broad maximum has been observed in the zero field susceptibility measurements from 2.5 K < T < 8 K and its behavior...
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Polynomial description of dynamic impedance spectrogram—introduction to a new impedance analysis method
PublicationThis paper presents a polynomial description of spectrograms obtained using Dynamic Electrochemical Impedance Spectroscopy. A method to fit the polynomial degree correctly is discussed. A simple electrical system of a diode connected in parallel with a capacitor was used for testing. Dynamic impedance measurements during potentiodynamic polarization were conducted. This paper presents an alternative analysis method that allows...
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Single-phase, Five-level Inverter with SPWM-Based Neutral Point Voltage Balancing Scheme
PublicationMultilevel inverter topologies provide several advantages over two-level inverter configuration. These benefits are the reason for the growing interest in multilevel topologies among research society. One of the most popular topological concepts (diode and active switch clamping) requires neutral-point potential balancing due to series-connected capacitor banks across the input dc link in such derived inverter configurations. This...
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A Wind Energy Conversion System Based on a Generator with Modulated Magnetic Flux
PublicationIn this work, the concept of an energy conversion system for wind turbines based on the modified permanent magnet synchronous generator (PMSG) is presented. In the generator, a pair of three-phase windings is used, one of which is connected in a “star” and the second in a “delta” configuration. At the outputs of both windings, two six-pulse uncontrolled (diode) rectifiers are included. These rectifiers are mutually coupled by a...
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Chemical structures and physical properties of cured segmental polyurethanes
PublicationPrzedmiotem badań były poliuretany (PUR) segmentowe otrzymywane w dwuetapowej syntezie oligomerycznego α,ω-dihydroksy(adypinianu etylenowo-butylenowego) oraz dwóch różnych aromatycznych diizocyjanianów: 4,4'-diizocyjanianu difenylenometanu (MDI) albo MDI modyfikowanego diizocyjanianem karbodiimidu. Na etapie przedłużania łańcucha, oprócz typowo używanego do tego celu 1,4-butanodiolu, stosowano triol - 1,3-dihydroksy-2-(hydroksymetyleno)propan...
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Green analytical chemistry introduction to chloropropanols determination at no economic and analytical performance costs?
PublicationIn this study we perform ranking of analytical procedures for 3-monochloropopane-1,2-diol determination in soy sauces with PROMETHEE method. Multicriteria decision analysis was performed for three different scenarios – metrological, economic and environmental, by application different weights to decision making criteria. All three scenarios indicate capillary electrophoresis – based procedure as the most preferable. Apart from...
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Resonances and Dissociative Electron Attachment in HNCO
PublicationIn a combined experimental and theoretical study, we probe the dissociative electron attachment in isocyanic acid HNCO. The experimental absolute cross section for the NCO− fragment shows a sharp onset and fine structures near the threshold. The autoionizing state responsible for the dissociative attachment is found in both the R-matrix calculation and using analytic continuation in the coupling constant. The involved A' resonance...
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Comparison of High Performance Liquid Chromatography Methods with Different Detectors for Determination of Steroid Hormones in Aqueous Matrices
PublicationThis paper presents the development and comparison of procedures for the qualitative and quantitative determination of five estrogenic compounds (17-a-ethynylestradiol, estrone, estradiol, estriol, and progesterone) in drinking water and wastewater samples. Five extraction columns and two disks were tested for their efficiency. The C18 columns were superior on the basis of cost for solid phase extraction of drinking water or sewage....
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Long-Distance FRET Analysis: A Monte Carlo Simulation Study
PublicationZaproponowano nową metodę na rozszerzenie zakresu stosowalności rezonansowego transferu energii (FRET) przetestowaną przy pomocy metody Monte Carlo. Otrzymane rezultaty dowodzą, że wydajność procesu FRET może być znacząco zwiększona w porównaniu z wydajnością pojedynczego akceptora, gdy dla ustalonej od donora umieścimy układ blisko siebie położonych akceptorów na makromolekule. Z drugiej strony metoda ta umożliwia zwiększenie...
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Novel Polyurethanes as Antifouling Paint Matrices
PublicationThe new poly(ester-ether urethane)s (PEEUR) were prepared in two stage synthesis from formerly obtained oligo(alkylene ester-ether)diols (OAEE) and 4,4‘-diphenylmethane diisocyanate (MDI). PEEUR samples were subjected to crosslinking with styrene in the presence of radical polymerization initiators: methyl ethyl ketone peroxide (MEKPO) or cobalt 2-ethyl cyclohexanoate (EtHCo). Crosslinked PEEUR were characterized by their physicochemical...
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Modified polycarbonate urethane: synthesis, properties and biological investigation in vitro
PublicationNowy poliweglano uretan (PCU-I) otrzymano z alifatycznych monomerów: poliwęglanu heksanodiolu, 4,4'diizocyjanianu dicykloheksanometanu, mieszaniny małocząsteczkowych dioli i oleju rycynowego (zawierającego głównie trigliceryd kwasu 12-hydroksyoleinowego). PCU-II otrzymano analogicznie ale bez udziału oleju rycynowego. Obydwa PCU charakteryzowały się dobrą wytrzymałością na rozciąganie. PCU-I miał niższą temperaturę zeszklenia a...
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Właściwości glikolizatów oraz zsyntezowanych z nich poliuretanów
PublicationCelem pracy było otrzymanie glikolizatów, jako półproduktów do syntezy poliuretanów. Glikolizaty otrzymywano w reakcji odpadowej miękkiej pianki poliuretanowej (PU) z glikolem butylenowym (GB) przy stosunkach GB : PU wynoszących 2:1, 1:1, 1:2, 1:5, 1:8 i 1:10. W reakcji stosowano katalizatory metaloorganiczne. Otrzymane związki scharakteryzowano poprzez oznaczenie lepkości (wiskozymetrem Brookfield'a), gęstości (piknometrem)...
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Signature of Hydrodynamic Pressure Field
PublicationW artykule przedstawiono wyniki obliczeń pola hydrodynamicznego ciśnienia wokół okrętu specjalnego jako funkcji przestrzennej, obliczonej metodą brzegową. Obliczone pola ćiśnienia hydrodynamicznego jest porównywane z pomierzonym polem okrętu na morzu, przy czym opis kształtu kadłuba okrętu jest przybliżony. Przedstawione wyniki obliczeń uzyskano stosując warstwę pojedynczą , którą stanowią źródła o rozkładzie ciągłym. Skonstruowany...
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Reduced-cost surrogate modeling of input characteristics and design optimization of dual-band antennas using response features
PublicationIn this article, a procedure for low-cost surrogate modeling of input characteristics of dual-band antennas has been discussed. The number of training data required for construction of an accurate model has been reduced by representing the antenna reflection response to the level of suitably defined feature points. The points are allocated to capture the critical features of the reflection characteristic, such as the frequencies...
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Simultaneous determination of individual isothiocyanates in plant samples by HPLC-DAD-MS following SPE and derivatization with N-acetyl-l-cysteine
PublicationThe procedure for the isothiocyanates (ITCs) determination that involves derivatization with N-acetyl-l-cysteine (NAC) and separation by HPLC was developed. Prior to derivatization, plant ITCs were isolated and purified using solid-phase extraction (SPE). The optimum conditions of derivatization are: 500 μL of isopropanolic eluate obtained by SPE combined with 500 μL of derivatizing reagent (0.2 M NAC and 0.2 M NaHCO3 in water)...
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A magnetic imprinted polymer nano-adsorbent with embedded quantum dots and mesoporous carbon for the microextraction of triazine herbicides
PublicationA magnetic molecularly imprinted polymer (MMIP) adsorbent incorporating amino-functionalized magnetite nanoparticles, nitrogen-doped graphene quantum dots and mesoporous carbon (MIP@MPC@NGQDs@ Fe3O4–NH2) was fabricated to extract triazine herbicides from fruit juice. The embedded magnetite nanoparticles simplified the isolation of the adsorbent from the sample solution. The N-GQDs and MPC enhanced adsorption by affinity binding...
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Problems with modelling the strength properties of sailing vessels rigging ropes
PublicationThis article presents the basic parameters of soft ropes: natural fibre ropes, soft wire ropes and synthetic fibre ropes used for running rigging. There are only several materials still used for the production of natural fibre ropes, including cotton, jute, hemp, sisal and manila hemp. The most commonly used soft wire ropes are twisted pair ropes; for smaller diameters there is a 6x19M - FC rope and for larger diameters – 6x37M...
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Phase separation in poly(butylene terephthalate)-based materials prepared by solid-state modification
PublicationThe morphology of a series of poly(butylene terephthalate) (PBT)/fatty acid dimer diol (FADD)-based copolyesters prepared by solid-state modi fi cation (SSM) was studied. It was shown that in copolyesters containing less than 10 wt% FADD two different phases, i.e. a PBT crystalline phase and a PBT-rich amorphous phase, are present. The FADD residues were more or less homogeneously distributed throughout the interlamellar regions....
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The influence of 4,4'-bis(6-hydroxyhexoxy)biphenyl moieties on properties of polyurethanes based on 4,4'-methylenebis(cyclohexyl isocyanate)
PublicationZsyntetyzowano dwie serie poliuretanów z 4,4'-bis(6-hydroksyheksyloksy)bifenylu (BH6), poliadypinianu 1,6-heksylenu i diizocyjanianu 4,4'-dicykloheksylometanu o udziałach izomeru trans, wynoszącym odpowiednio 16 i 46%. Badano wpływ udziału wagowego (u) małocząsteczkowego diolu(BH6)w odniesieniu do sumy mas komonomerów diolowych, na właściwości uzyskanych poliuretanów metodami DSC, DTA, TGA, mikroskopii polaryzacyjnej, WAXS, DMTA...
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Response of a New Low-Coherence Fabry-Perot Sensor to Hematocrit Levels in Human Blood
PublicationIn this paper, a low-coherence Fabry-Perot sensor with a spectrally measured signal processing response to the refractive index of liquids is presented. Optical fiber sensors are potentially capable of continuous measuring hematocrit levels in blood. Low-coherence Fabry-Perot interferometric sensors offer a robust solution, where information about the measurand is encoded in the full spectrum of light reflected from the sensing...
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Design Space Reduction for Expedited Multi-Objective Design Optimization of Antennas in Highly-Dimensional Spaces
PublicationA surrogate-based technique for efficient multi-objective antenna optimization is discussed. Our approach exploits response surface approximation (RSA) model constructed from low-fidelity antenna model data (here, obtained through coarse-discretization electromagnetic simulations). The RSA model enables fast determination of the best available trade-offs between conflicting design goals. The cost of RSA model construction for multi-parameter...
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Application of the Monte Carlo algorithm for solving volume integral equation in light scattering simulations
PublicationVarious numerical methods were proposed for analysis of the light scattering phenomenon. Important group of these methods is based on solving the volume integral equation describing the light scattering process. The popular method from this group is the discrete dipole approximation (DDA). DDA uses various numerical algorithms to solve the discretized integral equation. In the recent years, the application of the Monte Carlo (MC)...
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Kriging metamodels and design re‐utilization for fast parameter tuning of antenna structures
PublicationThe paper addresses the problem of computationally efficient electromagnetic (EM)‐driven design closure of antenna structures. The foundations of the presented approach are fast kriging interpolation metamodels, utilized for two purposes: (a) producing a good starting point for further parameter tuning, and (b) yielding a reasonable Jacobian matrix estimate to jump‐start the optimization procedure. The models are rendered using...
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Buck-Boost Inverters with Symmetrical Passive Four-terminal Networks
PublicationAlternating Voltage Inverters (Converters) supplied by low-voltage sources DC (ex. fuel cell, photovoltaic cell) are most frequently realized on the basis of the three fundamental topologies: a) PWM voltage inverter with boost-converter" system, b) PWM voltage inverter with transformed converter DC/DC in the ,,boost-converter" system, c) PWM current converter. However none of these solutions is claimed to be the best and dominant...
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Porosity and swelling properties of novel polyurethane–ascorbic acid scaffolds prepared by different procedures for potential use in bone tissue engineering
PublicationIn this work, a novel polyurethane (PU) system based on poly(ethylene-butylene) adipate diol, 1,6-hexamethylene diisocyanate, 1,4-butanediol, and ascorbic acid was used to prepare scaffolds with potential applications in bone tissue engineering. Two fabrication methods to obtain porous materials were chosen: phase separation (PS)/salt particle leaching (PL) and solvent casting (SC)/salt PL. The calculated porosity demonstrated...
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Segmented bio-based polyurethane composites containing powdered cellulose obtained from novel bio-based diisocyanate mixtures
PublicationA considerable number of research works focus on the positive influence of cellulose on the properties of polymer-based composites and their wide range of application possibilities. The present work is focused on the synthesis of novel bio-based polyurethane (bio-PU) composites filled with powdered cellulose (microcellulose, MC) in an amount of 5 wt.%. Bio-PU composites were synthesized via a non-solvent prepolymer method. First,...
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Simulation-driven size-reduction-oriented design of multi-band antennas by means of response features
PublicationThis study addresses the problem of explicit size reduction of multi-band antennas by means of simulation-driven optimisation. The principal difficulty of electromagnetic (EM)-based miniaturisation of multi-band antennas is that several resonances have to be controlled independently (both in terms of their frequency allocation and depth) while attempting to reduce physical dimensions of the structure at hand. The design method...
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Photophysical processes in the selected white organic light-emitting diodes
PublicationThe first part discusses history of organic emitters, the scope of the work, phenomena in molecular systems, types of architectures in OLEDs, types of OLEDs emitting white light with examples from the literaturę and a description of the parameters chcracterizing LEDs. The second part describes materials, production of the samples, the measurement systems and results. In chapter 8.1 the results for the OLEDs based on emission from...
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Computer support of analysis optical spectra measurements
PublicationVerification of measurement errors has a big impact on assessment of accuracy of conducted measurements and obtained results. In many cases computer simulation results are compared with measurement results in order to evaluate measurement errors. The purpose of our research was to check the accuracy of measurements made with Fabry-Perot interferometer working in the transmission mode. In measurement setup, a 1310 nm superluminescent...
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Computer Support of Analysis of Optical Spectra Measurements
PublicationThe verification of measurement errors has a big impact on the assessment of the accuracy of conducted measurements and obtained results. In many cases, computer simulation results are compared with measurement results in order to evaluate measurement errors. The purpose of our research was to check the accuracy of measurements made with a Fabry–Perot interferometer working in the transmission mode. In the measurement setup, a...
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Cross sections for electron collision with pyridine [C5H5N] molecule
PublicationThe absolute grand -total cross section (TCS) for electron scattering from pyridine, C5H5N, molecules has been measured at impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The obtained TCS energy dependence appears to be typical for targets of high electric-dipole moment; the cross section generally decreases with rising energy, except for the 3–20 eV range, where a broad enhancement peaked near...
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Properties of water in the region between a tubulin dimer and a single motor head of kinesin
PublicationA kinesin is a molecular motor that can perform movement on a microtubule track in a stepping-like manner. This motion is connected with processes of association and dissociation of kinesin and tubulin. Water is an important participant in these kinds of molecular interactions. This is why we have decided to investigate the dynamical and structural properties of water in the region between the kinesin catalytic domain and the tubulin...
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Magnetic field effects in dye-sensitized and organic solar cells
PublicationThe charge recombination and exciton dissociation are generally recognized as the basic electronic processes limiting the efficiency of photovoltaic devices. The aim of this thesis is to understand the electronic processes limiting the operation of efficient solar cells with particular emphasis on the role of electronic states endowed with magnetic dipole moment. The research work is divided into two parts. The first part deals...
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Effect of modified soybeen oil amount on rheological characteriza-tion of polyurethane pre-polymers
PublicationPolyurethanes (Pu’s) are the polymeric materials which have got urethane groups in the structure. The properties of Pu’s depend both on the method of preparation and monomers used. Polyurethanes are produced by two methods known as one step or two step method called as “pre-polymers method”, especially for the case of segmented polyurethanes (SPU’s). These materials are thermoplastic block copolymers of the (AB)n type consisting...
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Effect of molar ratio [NCO]/[OH] groups during prepolymer chains extending step on the morphology and selected mechanical properties of final bio‐based thermoplastic poly(ether‐urethane) materials
PublicationThe main aim of this work was to investigate the effect of [NCO]/[OH] molar ratio used during the prepolymer chain extending step (with bio‐based diols) on the chemical structure, and thermomechanical and mechanical properties of thermoplastic poly(ether‐urethane)s. Thermoplastic poly(ether‐urethane)s were obtained from bio‐based polyol (polytrimethylene ether glycol), bio‐based glycol (1,4‐butanediol or 1,3‐propanediol), and 4,4'diphenylmethane...
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Novel Biomass-Based Polymers: Synthesis, Characterization, and Application
PublicationA wide range of polymers were prepared from biomass-derivatives, using different polymerization mechanisms. Well-defined, fully hydroxy-functional polyesters based on aliphatic diols were synthesized, using either conventional metal-based catalysts or the organic superbase 1,5,7-triazabicyclododecene (TBD). Unsaturated polyesters were also made, offering additional functionality to these biobased resins. Metal-catalyzed or enzymatic...
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Diaryl Sulfide Derivatives as Potential Iron Corrosion Inhibitors: A Computational Study
PublicationThe present work aimed to assess six diaryl sulfide derivatives as potential corrosion inhibitors. These derivatives were compared with dapsone (4,4′-diaminodiphenyl sulfone), a common leprosy antibiotic that has been shown to resist the corrosion of mild steel in acidic media with a corrosion efficiency exceeding 90%. Since all the studied compounds possess a common molecular backbone (diphenyl sulfide), dapsone was taken as the...
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Reliable data-driven modeling of high-frequency structures by means of nested kriging with enhanced design of experiments
PublicationData-driven (or approximation) surrogate models have been gaining popularity in many areas of engineering and science, including high-frequency electronics. They are attractive as a way of alleviating the difficulties pertinent to high computational cost of evaluating full-wave electromagnetic (EM) simulation models of microwave, antenna, and integrated photonic components and devices. Carrying out design tasks that involve massive...
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Unravelling the role of electron–hole pair spin in exciton dissociation in squaraine-based organic solar cells by magneto-photocurrent measurements
PublicationA high absorption coefficient and narrow absorption bands in squaraine (SQ) dyes have resulted in rapidly growing interest in them as a donor material in photovoltaic devices. The exciton dissociation process in organic systems proceeds via a multistep mechanism where the electron–hole pairs (charge transfer states) involved in the current generation process determine the recombination losses and subsequently limit the overall...
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Interactions of N-alkyl-N-methylmorpholinium based ionic liquids with acetonitrile studied by density and velocity of sound measurements and molecular dynamics simulations
PublicationMorpholinium-based ionic liquids (ILs) and their mixtures with polar co-solvents are an interesting class of emerging electrolytes in electrochemistry that is relatively poorly studied. In this work, densities and sound velocities of four ILs, N-ethyl-N-methylmorpholinium tetrafluoroborate, N-butyl-N-methylmorpholinium tetrafluoroborate, N-octyl-N-methylmorpho-linium tetrafluoroborate and N-decyl-N-methylmorpholinium tetrafluoroborate...
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High Frequency Harmonics Emission in Smart Grids
PublicationPulse-width modulated rectifiers are nowadays commonly used for AC to DC power conversion. PWM rectification technology is very effective and allows for bidirectional power flow with the possibility of power factor improvement and low-order harmonic emission limitation. Unfortunately, employed PWM boost topology results with generation of input current harmonic distortions in a frequency range tightly correlated to modulation frequency....
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Fully Isohexide-Based Polyesters: Synthesis, Characterization, and Structure-Properties Relations
PublicationHere we present a novel series of biobasedpolyesters solely based on renewable isohexide building blocks,synthesized via melt polymerization. The recently developedisoidide dicarboxylic acid (IIDCA) was polymerized with rigidrenewable diols such as isosorbide (IS), isomannide (IM),isoidide (II), and the novel 2,5-methylene-extended isoididedimethanol (IIDML). Both IIDCA and IIDML weredeveloped to increase the reactivity of the...
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Use of optical skin phantoms for calibration of dermatological lasers
PublicationA wide range of dermatological diseases can be efficiently treated using laser heating. Nevertheless, before the new laser is introduced into clinical practice, its parameters and ability to interact with human skin have to be carefully examined. In order to do that optical skin phantoms can be used. Such phantoms closely imitate the scattering and absorption properties of real human skin tissue along with its thermal properties,...
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A multi-analytical approach to the characterization of natural organic dyestuffs and inorganic substrates present in the 19th-century artistic oil paints manufactured by a French art materials supplier Richard Aines
PublicationThis paper presents a comprehensive analysis of artistic paints produced in the 19th century by a French art materials supplier Richard Ain`es. Improved mild extraction with hydrofluoric acid enabled the observation of intact organic dyes. Reversed-phase liquid chromatography with diode-array and mass spectrometry detection was utilised for the identification of 35 dyes present in yellow and red paint samples, and in selected plant...
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Low Frequency Conducted Emissions of Grid Connected Static Converters
PublicationPulse-width modulated rectifiers are nowadays commonly used for AC to DC power conversion. PWM rectification technology is very effective and allows for bidirectional power flow with the possibility of power factor improvement and low-order harmonic emission limitation. Unfortunately, employed PWM boost topology results with generation of input current harmonic distortions in a frequency range tightly correlated to modulation frequency....