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Search results for: implicit solvent
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Local-Global Space Mapping for Rapid EM-Driven Design of Compact RF Structures
PublicationIn this work, we introduce a robust and efficient technique for rapid design of compact RF circuits. Our approach exploits two-level space mapping (SM) correction of an equivalent circuit model of the structure under design. The first SM layer (local correction) is utilized to ensure good matching between the equivalent circuit and the electromagnetic model at the component level. On the other hand, the global correction allows...
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An isogeometric finite element formulation for boundary and shell viscoelasticity based on a multiplicative surface deformation split
PublicationThis work presents a numerical formulation to model isotropic viscoelastic material behavior for membranes and thin shells. The surface and the shell theory are formulated within a curvilinear coordinate system,which allows the representation of general surfaces and deformations. The kinematics follow from Kirchhoff–Love theory and the discretization makes use of isogeometric shape functions. A multiplicative split of the surface...
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Determination of pharmaceuticals in fish: method optimization and occurrence in different species from Mediterranean rivers
PublicationThe multi-residue analytical method developed, based on accelerated solvent extraction, gel permeation chromatography purification and UPLC-MS/MS analysis allowed the simultaneous determination of 21 pharmaceuticals. Recoveries obtained for most of the target compounds were higher than 50%. The application of UPLC-MS/MS operating in the MRM mode, with two transitions monitored for each compound, provided good sensitivity and selectivity....
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Thermal and Mechanical Properties of Microporous Polyurethanes Modified with Reduced Graphene Oxide
PublicationMicroporous polyurethanes (MPU) were modified by adding 0.25%–1.25 wt% of reduced graphene oxide (RGO). The materials were prepared without solvent via in situ polymerization. From a technological point of view, it is very important to obtain functional materials by using reacting compounds only. The thermal characteristics of obtained MPU were investigated using TGA, DSC, and DMA techniques. In comparison to nonmodified microporous...
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The interaction parameters for solutions of n-butylurea in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 K and 308.15 K
PublicationDensities and speed of sound were measured for solutions of n-butylurea in aqueous solution of Nmethylacetamide 2, 4, 6 and 8 (mol/kg) at T = (288.15, 298.15 and 308.15) K. From these data the apparent molar volumes, Vf, the apparent molar isentropic compressions, KSf, of the solute were determined. The concentration dependencies of the calculated quantities have been used to obtain the standard partial molar parameters. The latter...
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Use of Ginger Nanofibers for the Preparation of Cellulose Nanocomposites and Their Antimicrobial Activities
PublicationHere, we report, for the first time, the isolation of ginger nanofibers (GNF) from ginger rhizomes spent by acid hydrolysis and followed by high-pressure homogenization. Scanning electron microscopy was utilized to identify the surface morphology of the GNF and the widths ranged between 130 to 200 nm. Structural analysis of GNF was identified by Fourier transform infrared spectroscopy, Differential scanning calorimetry, and X-ray...
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The Influence of PEG on Morphology of Polyurethane Tissue Scaffold
PublicationIn this study, polyurethanes (PU) were synthesized from oligomeric dihydroxy(etylene-butylene adipate), poly(ethylene glycol) (PEG), hexamethylene diisocyanate (HDI), 1,4-butanediol (BDO) as chain extender and stannous octoate as catalyst. PEG due to its hydrophilic character influences physical and chemical properties of PU. For testing were used PU having the following weigh contents of PEG: 0%, 7%, and 14%. Porous scaffolds...
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Tailoring the Size and Shape—New Path for Ammonium Metavanadate Synthesis
PublicationAmmonium metavanadate, NH4VO3, plays an important role in the preparation of vanadium oxides and other ammonium compounds, such as NH4V3O8, (NH4)2V3O8, and NH4V4O10, which were found to possess interesting electrochemical properties. In this work, a new route for the synthesis of NH4VO3 is proposed by mixing an organic ammonium salt and V2O5 in a suitable solvent. The one-step procedure is carried out at room temperature. Additionally,...
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Effect of temperature and ionic strength on volumetric and acoustic properties of solutions of urea alkil derivatives in aqueous NaCl
PublicationThe present work was undertaken to study volumetric and acoustic properties for diluted solutions of tetramethylurea in pure water and for urea, n-propylurea, n-butylurea and tetramethylurea in 0.5 or 1 moldm3 aqueous solutions of sodium chloride. This paper presents measured values of densities and sound velocities at T = (288.15, 298.15 and 308.15) K. From these data the apparent molar volumes, , adiabatic compressibilities,...
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The influence of α,ω-diols and SiO2 particles on CO2 absorption and NH3 escaping during carbon dioxide capture in ammonia solutions
PublicationAmmonia solutions are widely used solvents for CO2 capture. However, a significant disadvantage of these solvents is secondary pollution of the purified gas stream by desorbed ammonia. In this work, α,ω-diols, and colloidal silica have been proposed to reduce this undesired effect. Ammonia solutions with the addition of ethylene glycol (EG), 1,3-propanediol (PRD), 1,4-butanediol (BUD), 1,5-pentanediol (PED), or 1,6-hexanediol (HED)...
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Rapid Characterization of the Human Breast Milk Lipidome Using a Solid-Phase Microextraction and Liquid Chromatography-Mass Spectrometry-Based Approach.
PublicationHuman breast milk (HBM) is a biofluid consisting of various biomolecules such as proteins, lipids, carbohydrates, minerals and bioactive substances. Due to its unique and complex composition, HBM provides not only nutritional components required for the growth of the infant, but also additional protection against infections. Global insight into the composition of HBM is crucial to understanding the health benefits infants receive...
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Low Cost Method for Location Service in the WCDMA System
PublicationA new and low cost method for a location service (LCS) in the Wideband Code Division Multiple Access (WCDMA) system is outlined. This method, which is called TDOA + RTT, enables calculation of the geographical position of a mobile station (MS) without knowledge of relative time differences (RTDs) between base stations (BSs). The TDOA+RTT method is based on the measurement of round trip times (RTTs) between the MS and the serving...
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Perspektywy wykorzystania olfaktometrii i elektronicznego nosa w badaniach stanu środowiska
PublicationIn environmental state investigations the two approaches are dominate: field olfactometry and instrumental methods. In contradiction to classical chromatographic methods, both field olfactometry and electronic nose (e-nose) in based on the analysis of the aroma as a whole, without separating gaseous mixture (air) to individual aromatic compounds. With respect to simplicity of use and relatively short time of analysis, both systems...
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Universal construction of genuinely entangled subspaces of any size
PublicationWe put forward a simple construction of genuinely entangled subspaces – subspaces supporting only genuinely multipartite entangled states – of any permissible dimensionality for any number of parties and local dimensions. The method uses nonorthogonal product bases, which are built from totally nonsingular matrices with a certain structure. We give an explicit basis for the constructed subspaces. An immediate consequence of our...
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A High-Efficient Low-Voltage Rectifier for CMOS Technology
PublicationA new configuration of rectifier suiting CMOS technology is presented. The rectifier consists of only two nchannel MOS transistors, two capacitors and two resistors; for this reason it is very favourable in manufacturing in CMOS technology. With these features the rectifier is easy to design and cheap in production. Despite its simplicity, the rectifier has relatively good characteristics, the voltage and power efficiency, and...
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Numerical modal analysis of a vertical rising steel water gate
PublicationVertical rising steel water gates are very common not only in Poland and Germany but also in other countries of the world. Their popularity is mainly attributed to their simplicity of construction, which makes their production process cheaper and faster when compared to other solutions. The aim of this paper is to conduct a numerical modal analysis to examine the eigenvalues and eigenmodes of a vertical rising steel gate. Two cases...
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A first-principles study of electron attachment to the fully hydrated bromonucleobases
PublicationDegradation mechanism of four brominated nucleobases (BrX), potential DNA radiosensitizers, is studied in explicit water solution, using ab initio molecular dynamics. Several fs long dynamics is needed to localize an electron on the nucleobase. Produced by electron attachment BrX anion radical degrades through the bromide anion abstraction, barrier-free (purines) or with low barrier (pyrimidines), to a reactive nucleobase radical....
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Pathological brain network activity: memory impairment in epilepsy
PublicationOur thinking, memory and cognition in general, relies upon precisely timed interactions among neurons forming brain networks that support cognitive processes. The surgical evaluation of drug-resistant epilepsy using intracranial electrodes provides a unique opportunity to record directly from human brain and to investigate the coordinated activity of cognitive networks. In this issue of Neurology®, Kleen and colleagues1 implicate...
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On stress singularity near the tip of a crack with surface stresses
PublicationIn the framework of the simplified linear Gurtin–Murdoch surface elasticity we discuss a singularity of stresses and displacements in the vicinity of a mode III crack. We show that inhomogeneity in surface elastic properties may significantly affect the solution and to change the order of singularity. We also demonstrate that implicitly or explicitly assumed symmetry of the problem may also lead to changes in solutions. Considering...
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Cichy sonar - stan aktualny i perspektywy
PublicationW zastosowaniach militarnych często istnieje potrzeba prowadzenia obserwacji w sposób skryty za pomocą urządzeń emitujących sygnały trudne do przechwycenia przez przeciwnika. Rozwiązania stosowane w cichych radarach stanowiły punkt wyjścia do opracowania cichego sonaru. Prace nad projektem rozpoczęto na Politechnice Gdańskiej w roku 2010 w ramach Grantu NCBiR i są one dalej kontynuowane. W celu zachowania w cichym sonarze warunków...
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Experience based knowledge representation for Internet of Things and Cyber Physical Systems with case studies
PublicationCyber Physical Systems and Internet of Things have grown significant attention from industry and academia during the past decade. The main reason behind this interest is the capabilities of such technologies to revolutionize human life since they appear as seamlessly integrating classical networks, networked objects and people to create more efficient environments. However, enhancing these technologies with intelligent skills becomes...
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Chemometrics and Statistics | Multicriteria Decision Making
PublicationThis contribution describes the application of Multicriteria Decision Making tools in analytical chemistry. The general scheme of MCDM is presented to show its general steps. The most frequently applied in analytical sciences MCDM techniques – AHP, ELECTRE, PROMETHEE and TOPSIS – are briefly described and their advantages and disadvantages are discussed. The applications in analytical chemistry are selection of an appropriate...
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MODELOWANIE TURBINY WIATROWEJ Z DWOMA PRZECIWBIEŻNIE OBRACAJĄCYMI SIĘ WIRNIKAMI
PublicationW artykule przedstawiono sposoby modelowania dwuwirnikowej turbiny wiatrowej z wykorzystaniem technik Obliczeniowej Mechaniki Płynów. Omówiono uproszczone metody modelowania Actuator Disc i Actuator Line Method oraz aspekty związane z dokładnym odwzorowaniem turbiny na siatce obliczeniowej. Zaprezentowano przykładowe wyniki obliczeń turbiny dwuwirnikowej złożonej z wirników NREL o mocy nominalnej 5 MW każdy. Do wykonania badań...
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OBTAINING FLUID FLOW PATTERN FOR TURBINE STAGE WITH NEURAL MODEL.
PublicationIn the paper possibility of applying neural model to obtaining patterns of proper operation for fluid flow in turbine stage for fluid-flow diagnostics is discussed. Main differences between Computational Fluid Dynamics (CFD) solvers and neural model is given, also limitations and advantages of both are considered. Time of calculations of both methods was given, also possibilities of shortening that time with preserving the accuracy...
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Designing drainage systems – possible application of advanced calculations and hydrodynamical modeling
PublicationNowadays we can observe a faster development of drainage systems than ever. This gives us an opportunity to de- sign more efficient systems that can cope with the rapid growth of cities and, what comes with it, impervious surfaces. Here the question arises, whether traditional methods used in drainage system design are potent enough to cope with the emerging prob- lems and difficulties. In this paper we will make...
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Bioassays as one of the Green Chemistry tools for assessing environmental quality: A review
PublicationFor centuries, mankind has contributed to irreversible environmental changes, but due to the modern science of recent decades, scientists are able to assess the scale of this impact. The introduction of laws and standards to ensure environmental cleanliness requires comprehensive environmental monitoring, which should also meet the requirements of Green Chemistry. The broad spectrum of Green Chemistry principle applications should...
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Synthesis of coupled lossy resonator filters.
PublicationA technique for fast synthesis of coupling matrix low-pass prototypes of generalized. Chebyshev bandpass filters with lossy resonators is presented in this letter. The coupling matrix is found by solving a nonlinear least squares problem based on zeros and poles of filter's transfer functions.
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The need for linear revitalization. Gdynia case
PublicationThe aim of the article is to discuss the need of defining and implementation of the linear revitalization - the new approach related to the revitalization processes. The results of the preliminary investigations indicate that this kind of revitalization seems to be an important tool supporting city management and planning, especially in cases of cities fragmentation - causing lack of physical, social, economic and ecological cohesion....
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Decision support system for design of long distance heat transportation system
PublicationDistrict Heating (DH) systems are commonly supplied using local heat sources. Nowadays, modern insulation materials allow for effective and economically viable heat transportation over long distances (over 20 km). The paper proposes a Decision Support System (DSS) for optimized selection of design and operating parameters of a long distance Heat Transportation System (HTS). The method allows for evaluation of feasibility and effectiveness...
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Discrete Green's function approach to disjoint domain simulations in 3D FDTD method
PublicationA discrete Green’s function (DGF) approach to couple 3D FDTD subdomains is developed. The total-field/scattered-field subdomains are simulated using the explicit FDTD method whilst interaction between them is computed as a convolution of the DGF with equivalent current sources measured over Huygens surfaces. In the developed method, the DGF waveforms are truncated using the Hann’s window. The error varies in the range -65 to -40...
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Two-dimensional hydrogen-like atom in a weak magnetic field
PublicationWe consider a non-relativistic two-dimensional (2D) hydrogen-like atom in a weak, static, uniform magnetic field perpendicular to the atomic plane. Within the framework of the Rayleigh-Schr¨odinger perturbation theory, using the Sturmian expansion of the generalized radial Coulomb Green function, we derive explicit analytical expressions for corrections to an arbitrary planar hydrogenic bound-state energy level, up to the fourth...
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Calculation of motion trajectory and geometric parameters of the trawl during pelagic fishing
PublicationThis paper presents a mathematical model of the mass centre motion trajectory of the trawl, its main geometrical parameters, way of solving the model as well as its example results. It could be useful to define optimum parameters of safe, effective and environmentally friendly pelagic fishing.
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Forecasting Poland`s road deaths. W: [CD-ROM]. Zbornik referatov. V. Medna- rodna Konferenca Globalna Varnost. V. International Conference Global Safe- ty. Portoroz, od 6. do 9 oktobra 2002, Slovenija. [B.m.]: ZVD, Slovene Road Safety Council**2002 [7 s. 5 rys. bibliogr. 8 poz.] Prognozowanie liczby zabitych w ruchu drogowym w Polsce.
PublicationW referacie przedstawiono sytuację w zakresie bezpieczeństwa ruchu drogowegow Polsce oraz metodykę tworzenia długoterminowych prognoz rozwoju ryzyka w ruchu drogowym na przykładzie prognozy dla potrzeb Krajowego Programu Bez-pieczeństwa Ruchu drogowego GAMBIT 2000.
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Noise effect on parameters of quiet sonar with code modulation
PublicationEarlier publications of the paper authors have shown that the use of code keying mixed with the CW FM sound signal allows the significant reduction in the distance measurement error, compared to classic silent CW FM sonar. In addition to the code modulation parameters, the magnitude of this error is influenced by the received input acoustic noise. The article shows the dependence of the input signal-to-noise ratio and the sound...
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Successive Iterative Method for Higher-Order Fractional Differential Equations Involving Stieltjes Integral Boundary Conditions
PublicationIn this paper, the existence of positive solutions to fractional differential equations with delayed arguments and Stieltjes integral boundary conditions is discussed. The convergence of successive iterative method of solving such problems is investigated. This allows us to improve some recent works. Some numerical examples illustrate the results.
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Synthesis and properties of new 'N,'N-phenyltetrazole podand
PublicationThe synthesis of a new chromogenic N,N-phenyltetrazole receptor is reported here. The cationbinding properties of this receptor in solution were investigated by naked-eye colour change, electrochemical methods and UV-Vis spectroscopy in various solvents (CH3CN, dimethylsulphoxide (DMSO), DMSO/H2O, CH3CN/H2O and CH3CN/MeOH). In addition, the receptor was used as a sensing material in ion-selective membrane electrodes. The selectivity...
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TMSCL as a rate accelerating additive in acylations of amines with 5-(α- amino-α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
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Determination of volatile organic compounds using solventless sample preparation techniques and gas chromatography
PublicationIn this paper the latest advances in the determination of volatile organic compounds using solvent-free extraction techniques in the sample preparation step are presented. A paper is focus mainly on one of the most popular sample preparation technique: solid-phase microextraction technique (SPME) combined with different detection systems and its applications to sampling of VOCs from the samples with different matrices. This paper...
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Chromogenic amides of pyridine-2,6-dicarboxylic acid as anion receptors
PublicationThe synthesis of simple, chromogenic pyridine-2,6-dicarboxylic acid amides, derivates of isomeric nitroanilines and aminonitrophenols, and their ion binding properties are described. The ligands' response to ionic species was examined by naked eye and was studied with the use of UV-Vis spectroscopy in DMSO and its mixture with water. The effect of the localisation and the type of the substituents in aromatic rings were discussed....
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<i>N,N,N</i>-Trimethyl-N-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5- yl)ammonium 4-methylbenzenesulfonate sesquihydrate.
PublicationThe structure of the title compound, [C12H24NO4][C7H7O3S]·1.5H2O, contains alternating layers parallel to (001) of hydrophobic and polar character, stabilized by C-H...O hydrogen bonding. The furan ring adopts an envelope conformation with the C(OMe) atom as the flap, and the dioxolane ring is twisted about one of the O-C(methine) bonds. A comparison to related compounds is presented. The tosylate-O atoms were disordered over two...
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Few-Layer Black Phosphorus/Chitosan Nanocomposite Electrodes via Controlled Electrodeposition for Enhanced Electrochemical Kinetic Performance
PublicationThis study presents the preparation and characterization of few-layer black phosphorus (FLBP) chitosan electrodes by controlled electrochemical deposition of chitosan nanoparticles on FLBP-modified glassy carbon electrodes. FLBP was prepared by solvent-assisted exfoliation of bulk BP and was further modified with chitosan forming together a nanocomposite, including easy cross-linking with nanomaterials and film-forming properties....
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Monitoring of absorptive model biogas purification process using sensor matrices and gas chromatography
PublicationThis study examined the process of purifying model biogas using a new type of absorbent based on a Deep Eutectic Solvent (DES) and a commercially available absorbent (Genosorb) to remove acetone, toluene, and cyclohexane. The main aim of the research was to control the purification efficiency using gas chromatography (GC) and an alternative method based on sensor matrices (SM). As a result of comparing the multidimensional SM signals...
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Redox property switching in MOFs with open metal sites for improved catalytic hydrogenation performance
PublicationIn this study, a decompression-thermalization strategy was utilized for a Cu-containing metal-organic framework (MOF) to tune its redox and catalytic hydrogenation properties. Remarkably, at just 120 °C, open metal sites (OMSs) were successfully constructed by removing coordinated solvent molecules to generate the daughter MOF-120. The tailored redox property of MOF-120 is correlated with the presence of OMSs. Compared with the...
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Novel amides of mycophenolic acid and some heterocyclic derivatives as immunosuppressive agents
PublicationThe group of new amide derivatives of mycophenolic acid (MPA) and selected heterocyclic amines was synthesised as potential immunosuppressive agents functioning as inosine-5'-monophosphate dehydrogenase (IMPDH) uncompetitive inhibitors. The synthesis employed uronium-type activating system (TBTU/HOBt/DIPEA) while or phosphonic acid anhydride method (T3P/Py) facilitating amides to be obtained in moderate to excellent yields without...
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Grafting and reactive extrusion technologies for compatibilization of ground tyre rubber composites: Compounding, properties, and applications
PublicationChemical modification of ground tyre rubber (GTR) to compatibilize it with the matrix is a well-known approach. Based on our recent review of the surface etching methods used in GTR modification, the purpose of the current work is to take a deeper look into more advanced methods such as grafting and reactive extrusion. While grafting is more efficient in achieving compatibility, however, it usually involves multi-step synthesis...
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Tmscl as a rate accelerating additive in acylations of amines with 5-(α-amino- α'-hydroxy)methylene meldrum's acids
PublicationAspects are presented of the acylation of amines, alcohols and thiols with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids. We placed special emphasis on the acylation reaction of secondary amines with 5-(α-amino- α'-hydroxy)methylene Meldrum's acids, which, due to their basicity, caused problems concerning salt formation with a Meldrum acid derivative. We found that secondary amines, which react at the slowest rate and with a...
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New procedure for the examination of the degradation of volatile organonitrogen compounds during the treatment of industrial effluents
PublicationWe present a new procedure for the determination of 32 volatile organonitrogen compounds in samples of industrial effluents with a complex matrix. The procedure, based on dispersive liquid–liquid microex-traction followed by gas chromatography with nitrogen-phosphorus and mass spectrometric detection, wasoptimized and validated. Optimization of the extraction included the type of extraction and disperser sol-vent, disperser solvent...
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Determination of thiocyanate as a biomarker of tobacco smoke constituents in selected biological materials of human origin
Publicationn order to protect human health, it is necessary to biomonitor toxic substances originating from tobacco smoke in biological materials sampled from persons with different exposures to tobacco smoke constituents. Thiocyanate anion is a biomarker of exposure to tobacco smoke components which is characterized by a relatively long half‐life in the human body, i.e. 6 days. In this work, we present the results of thiocyanate determinations...
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Application of additional factors supporting the microextraction process
PublicationDue to the fact that green analytical chemistry is of high importance, the past two decades have witnessed a rapid growth in the sample preparation area with special emphasis on simplification, miniaturization and automation of extraction procedures. In addition, to accelerate the extraction processes and to improve the separation of analytes, several enhanced parameters are applied. These factors include, ultrasounds, microwaves,...
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The hydration properties of protein stabilizer, trimethylamine-N-oxide in aqueous solutions of N-methylacetamide – The volumetric and compressibility studies between 288.15 and 308.15 K
PublicationApparent molar volumes and apparent molar isentropic compressions of the protein stabilizer, trimethylamine-N-oxide (TMAO) were determined from the densities and speed of sound measured at T = (288.15, 298.15 and 308.15) K in aqueous solutions of N-methylacetamide (NMA) at four different concentrations (2, 4, 6 and 8 mol/kg). The concentration dependencies of the calculated quantities extrapolated to the infinite dilution lead...