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Search results for: solvent-free synthesis
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Synthesis of Bis(ethylenedithio)dithiadiazafulvalenes (BEDT-DTDAF) and Generation of Charge Transfer Complexes with Tetracyanoquinodimetane
PublicationW artykule opisana została synteza Bis(etylenoditio)ditiadiazafulwalenów (BEDT-DTDAF) wykorzystująca jako kluczowe związki przejściowe 4,5-(etylenoditio)tiazol oraz sole 3-aliklo-4,5-(etylenoditio)tiazoliowe oraz generowanie przewodzących kompleksów z przeniesieniem ładunku usyskanych z Bis(etylenoditio)ditiadiazafulwalenów oraz tetracyjanochinodimetanu.
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Free volume in physical absorption of carbon dioxide in ionic liquids: Molecular dynamics supported modeling
PublicationUnderstanding the mechanisms underlying the carbon dioxide (CO2) absorption in ionic liquids (ILs) is the key to their efficient utilization in industrial flue gas treatment. One of the parameters considered substantially important in the process is the Free Volume. In this study, the Fractional Free Volume (FFV) of 73 ILs was calculated using Molecular Dynamics (MD). A quantitative Structure-Property Relationship (QSPR) study...
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Evaluation of a Novel Approach to Virtual Bass Synthesis Strategy
PublicationThe aim of this paper is to present a novel approach to the Virtual Bass Synthesis (VBS) strategy applied to portable computers. The developed algorithms involve intelligent, rule-based settings of bass synthesis parameters with regard to music genre of an audio excerpt and the type of a portable device in use. The Smart VBS algorithm performs the synthesis based on a nonlinear device (NLD) with artificial controlling synthesis...
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Free trade with the former COMECON Countries as Unequal Exchange
PublicationTwo authors of this chapter were born to the East of what was once The Iron Curtain and two to the West. From both angles, the two systems – capitalism and communism – seemed to be as contrary to each other as possible. Few people are aware that in terms of industrial and trade policy, both classical capitalism and communism had a common root in the theories of German economist Friedrich List (1789-1846) (List, 1841). In fact,...
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Efficiency of service recovery in scale-free optical networks under multiple node failures
PublicationIn this paper we examine the properties of scale-free networks in case of simultaneous failures of two networknodes. Survivability assumptions are as follows: end-to-end path protection with two node-disjoint backup pathsfor each working path. We investigate three models of scale-free networks generation: IG, PFP and BA.Simulations were to measure the lengths of active and backup paths and the values of service recovery time.We...
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On the differential effect of temperature on the Nusselt-Rayleigh relationship in free convection
PublicationThe aim of and inspiration behind this paper was to explain the reasons, also observed by other researchers, of the discrepancy in the results of experimental free convection, which for small Rayleigh and Nusselt numbers in the initial phase of research can sometimes reach several hundred percent. These discrepancies decrease with increasing heating power and plate surface temperature, in proportion to the increase in Ra and Nu,...
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The Effect of Sterols on Amphotericin B Self-Aggregation in a Lipid Bilayer as Revealed by Free Energy Simulations
PublicationAmphotericin B (AmB) is an effective but toxic antifungal drug, known to increase the permeability of the cell membrane, presumably by assembling into transmembrane pores in a sterol-dependent manner. The aggregation of AmB molecules in a phospholipid bilayer is, thus, crucial for the drug’s activity. To provide an insight into the molecular nature of this process, here, we report an atomistic molecular dynamics simulation study...
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What matters most to patients? On the Core Determinants of Patient Experience from Free Text Feedback
PublicationFree-text feedback from patients is increasingly used for improving the quality of healthcare services and systems. A major reason for the growing interest in harnessing free-text feedback is the belief that it provides richer information about what patients want and care about. The use of computational approaches such as structural topic modelling for analysing large unstructured textual data such as free-text feedback from patients...
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Novel and Efficient Synthesis of Unsymmetrical Trisulfides
PublicationWe have developed a convenient method for the synthesis of unsymmetrical trisulfides under mild conditions in very good yields. The designed method is based on the straightforward preparation of 1-[(5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)trisulfanyl]dodecane from readily available 5,5-dimethyl-2-sulfanyl-2-thioxo-1,3,2-dioxaphosphorinane, sulfur dichloride (SCl2) and dodecane-1-thiol. The unsymmetrical trisulfides can...
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublicationBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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Free convection of water-Al2O3 nanofluid from horizontal porous coated tube
PublicationNanofluids are expected to enhance heat transfer in many thermal systems. Present efforts are concentrated on boiling heat transfer of nanofluids, although single phase convection is of key importance in various appliances such as car radiators or heating systems. This paper presents experimental results of heat transfer during free convection of water-Al3O3 nanofluid from horizontal tube covered with metallic porous coating. Contrary...
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The possibility of use by-products for synthesis of emulsifiers
PublicationIn the last years the interest in use of materials originated from natural sources, e.g. vegetables to produce attractive products still grows. According to that, also the synthesis of these products should be adequate to the green chemistry requirements. The typical example observed in recent years focuses on utlization of bioglycerol - the by - product of global biodiesel manufacturing. The still growing production of biodiesel...
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Materials for Mediator-free Electron Transfer in the Enzymatic Electrodes of Biobatteries and Biofuel Cells
PublicationWe present functionalization of single-walled carbon nanotubes (SWCNTs) and their application in the enzymatic fuel cells construction. SWCNTs were covalently modified with different types of aromatic moieties. Free radical reaction was employed to create direct carbon-carbon bond between moiety and SWCNTs. In second approach functionalization takes place through amide bonding. Functionalized SWCNTs were characterized by spectroscopy...
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Green aspects of sample preparation - a need for solvent reduction
PublicationWzrastające zainteresowanie ochroną środowiska zmusza chemików, łącznie z chemikami analitykami, do modyfikacji chemicznej aktywności w taki sposób aby była ona prowadzona zgodnie z zasadami zielonej chemii. W artykule przedstawiono przegląd problemów zielonej chemii w dziedzinie przygotowania próbek do analizy, koncentrując się szczególnie na zaletach tzw. bezrozpuszczalnikowych technik przygotowania próbek. Przedstawiono techniki...
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Challenges and Possibilities of Deep Eutectic Solvent-Based Membranes
PublicationDeep eutectic solvents (DES) are a category of a new class of solvents that can overcome some of the main drawbacks of typical solvents and ionic liquids (ILs). DES have been widely investigated and applied by the research community in several applications since their invention. Over the past years, the use of DES has been directed to the production of new materials and items for new products and processes. This is the case for...
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Pervaporation Zeolite-Based Composite Membranes for Solvent Separations
PublicationThanks to their well-defined molecular sieving and stability, zeolites have been proposed in selective membrane separations, such as gas separation and pervaporation. For instance, the incorporation of zeolites into polymer phases to generate composite (or mixed matrix) membranes revealed important advances in pervaporation. Therefore, the goal of this review is to compile and elucidate the latest advances (over the last 2-3 years)...
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Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
PublicationThe thermodynamic properties of phenacetin in solid state and in saturated conditions in neat and binary solvents were characterized based on differential scanning calorimetry and spectroscopic solubility measurements. The temperature-related heat capacity values measured for both the solid and melt states were provided and used for precise determination of the values for ideal solubility, fusion thermodynamic functions, and...
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Application of Multivariate Adaptive Regression Splines (MARSplines) for Predicting Hansen Solubility Parameters Based on 1D and 2D Molecular Descriptors Computed from SMILES String
PublicationA new method of Hansen solubility parameters (HSPs) prediction was developed by combining the multivariate adaptive regression splines (MARSplines) methodology with a simple multivariable regression involving 1D and 2D PaDEL molecular descriptors. In order to adopt the MARSplines approach to QSPR/QSAR problems, several optimization procedures were proposed and tested. The effectiveness of the obtained models was checked via standard...
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Exploration of the Solubility Hyperspace of Selected Active Pharmaceutical Ingredients in Choline- and Betaine-Based Deep Eutectic Solvents: Machine Learning Modeling and Experimental Validation
PublicationDeep eutectic solvents (DESs) are popular green media used for various industrial, pharmaceutical, and biomedical applications. However, the possible compositions of eutectic systems are so numerous that it is impossible to study all of them experimentally. To remedy this limitation, the solubility landscape of selected active pharmaceutical ingredients (APIs) in choline chloride- and betaine-based deep eutectic solvents was...
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Dielectric properties of modified graphene oxide filled polyurethane nanocomposites and its correlation with rheology
PublicationThis study aims at investigating the dynamic mechanical, dielectric and rheological properties of reinforced polyurethane (PU) nanocomposites containing hydrophilic graphene oxide (GO) and/or hydrophobic modified graphene oxide (mGO) sheets. The organic modification of GO was performed with 4,4′-methylenebis (phenyl isocyanate) (MDI) and the samples were prepared by solvent mixing. We found that addition of mGO provides a more...
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Application of multivariate statistics in assessment of green analytical chemistry parameters of analytical methodologies
PublicationThe study offers a multivariate statistical analysis of a dataset, including the major metrological, “greenness” and methodological parameters of 43 analytical methodologies applied for aldrin determination (a frequently analyzed organic compound) in water samples. The variables (parameters) chosen were as follows: metrological (LOD, recovery, RSD), describing the “greenness” (amount of the solvent used, amount of waste generated)...
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Analysis of pesticide residue in fruits and vegetables using analytical analytical protocol based on application of QuEChERS technique and GC-ECD system
PublicationQuEChERS sample preparation method was used for the determination of 10 pesticides and their metabolites in fruits (apple, grape) and vegetables (tomato, paprika), coupled to gas chromatography with electron capture detector (GC-ECD). The experimental parameters including amount of the sample, types of solvents, extraction time and types of sorbent at the purification stage were optimized. The GC-ECD method was validated in terms...
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Removal of Siloxanes from Model Biogas by Means of Deep Eutectic Solvents in Absorption Process
PublicationThe paper presents the screening of 20 deep eutectic solvents (DESs) composed of tetrapropylammonium bromide (TPABr) and glycols in various molar ratios, and 6 conventional solvents as absorbents for removal of siloxanes from model biogas stream. The screening was achieved using the conductor-like screening model for real solvents (COSMO-RS) based on the comparison of siloxane solubility in DESs. For the DES which was characterized...
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Ultrasound assisted dispersive solid phase microextraction using polystyrene-polyoleic acid graft copolymer for determination of Sb(III) in various bottled beverages by HGAAS
PublicationA new polyoleic acid-polystyrene (PoleS) block/graft copolymer was synthesized and applied as adsorbent for ultrasound assisted dispersive solid phase microextraction (UA-DSPME) of Sb(III) in different bottled beverages and analysis using hydride generation atomic absorption spectrometry (HGAAS). Adsorption capacity of the PoleS was 150 mg g−1. Several sample preparation parameters such as sorbent amount, solvent type, pH, sample...
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Exposure scenario and risk assessment of infants and newborns to bisphenols and their derivatives from diapers
PublicationNewborns and infants are more sensitive to harmful compounds such as bisphenols and their derivatives because of their not fully developed detoxification mechanism. Exposure to these substances can lead to developmental problems and health consequences in adulthood. Since disposable baby diapers are used from the first days of life and remain in contact with the baby skin, it seems important to monitor the levels of endocrine disrupting chemicals...
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Green analytical chemistry metrics: A review
PublicationGreen analytical chemistry encourages reducing the use of toxic chemicals/reagents, using energy-efficient equipment, and generating minimal waste. The recent trends in analytical method development focus on the miniaturization of the sample preparation devices, the development of solventless or solvent-minimized extraction techniques, and the utilization of less toxic solvents. The twelve principles of GAC serve as a basic guideline...
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Proton Conducting Ceramic Powder Synthesis by a Low Temperature Method
PublicationMolten salt synthesis (MSS) is a simple method for the preparation of ceramic powders with specific morphology. The main role of the molten salts is to increase the reaction rate and lower the reaction temperature. It occurs because of much higher mobility of reactants in the liquid medium than in the solid state. In this work the molten salt synthesis was applied to produce ceramic powders of La0995Ca0005NbO4 and BaCe09−xZrxY01O3....
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Morphology control through the synthesis of metal-organic frameworks
PublicationDesignable morphology and predictable properties are the most challenging goals in material engineering. Features such as shape, size, porosity, agglomeration ratio significantly affect the final properties of metal- organic frameworks (MOFs) and can be regulated throughout synthesis parameters but require a deep under- standing of the mechanisms of MOFs formation. Herein, we systematically summarize the effects of the indi- vidual...
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Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
PublicationThe electronic structure of selected rare-earth atoms adsorbed on a free-standing graphene was investigated using methods beyond the conventional density functional theory (DFT+U, DFT +HIA, and DFT+ED). The influence of the electron correlations and the spin-orbit coupling on the magnetic properties has been examined. The DFT+U method predicts both atoms to carry local magnetic moments (spin and orbital) contrary to a nonmagnetic...
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EXPERIMENTAL INVESTIGATION OF FREE CONVECTION OF GLYCOL-Al2O3 NANOFLUID FROM HORIZONTAL TUBE
PublicationNanofluids came to be seen as a new generation of coolants, both in single- and two phase systems. Furthermore, nanofluids or nanocomposites may be used as a media in a thermal energy storage (TES) in such systems as sensible heat storage (SHS) and phase change materials (PCM). In the SHS systems the dominating mechanism of the heat transfer is natural convection. However, in the literature only a few investigations of free convection...
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Experimental investigation of free convection of glycol-Al2O3 nanofluid from horizontal tube
PublicationNanofluids came to be seen as a new generation of coolants, both in single- and two phase systems. Furthermore, nanofluids or nanocomposites may be used as a media in a thermal energy storage (TES) in such systems as sensible heat storage (SHS) and phase change materials (PCM). In the SHS systems the dominating mechanism of the heat transfer is natural convection. However, in the literature only a few investigations of free convection...
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Amino Acid Based Antimicrobial Agents – Synthesis and Properties
PublicationStructures of several dozen of known antibacterial, antifungal or antiprotozoal agents are based on the amino acid scaffold. In most of them, the amino acid skeleton is of a crucial importance for their antimicrobial activity, since very often they are structural analogs of amino acid intermediates of different microbial biosynthetic pathways. Particularly, some aminophosphonate or aminoboronate analogs of protein amino acids are...
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Implementation of multi-operand addition in FPGA using high-level synthesis
PublicationThe paper presents the results of high-level synthesis (HLS) of multi-operand adders in FPGA using the Vivado Xilinx environment. The aim was to estimate the hardware amount and latency of adders described in C-code. The main task of the presented experiments was to compare the implementations of the carry-save adder (CSA) type multi-operand adders obtained as the effect of the HLS synthesis and those based on the basic component...
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DDQ-mediated synthesis of functionalized unsymmetrical disulfanes
PublicationWe developed a simple and efficient method for the synthesis of functionalized unsymmetrical disulfanes under mild conditions in good yields. The designed method is based on the reaction of bis(5,5- dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)disulfane with thiols in the presence of 2,3-dichloro-5,6-dicyanobenzoquinone (DDQ). The developedmethod allows the preparation of unsymmetrical disulfanes bearing additional hydroxy, carboxy,...
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Scanning Electron Microscopy images of nanocubes suspension 1 month after synthesis
Open Research DataThis dataset contains the SEM images of the gold nanocubes suspension in citrate buffer. The goal of the study was to evaluate the size of the synthesized nanocubes, their stability one month after the synthesis process, and to verify the optimal conditions regarding nanocubes concentration for the SEM analysis. Solutions with two different AuNC concentrations...
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Efficient Method for the Synthesis of Functionalized Basic Maleimides
PublicationA three-step procedure involving Diels-Alder condensation of maleic anhydride with furane, formation of N-substituted imide upon reaction with appropriate diamine and a final retro Diels-Alder regeneration of the maleic carbon-carbon double bond is proposed for an unequivocal synthesis of N-substituted basic maleimides. The novel method is characterized by mild reaction conditions, easy work-up, high yields and no need for additional...
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Calibration-Free Single-Anchor Indoor Localization Using an ESPAR Antenna
PublicationIn this paper, we present a novel, low-cost approach to indoor localization that is capable of performing localization processes in real indoor environments and does not require calibration or recalibration procedures. To this end, we propose a single-anchor architecture and design based on an electronically steerable parasitic array radiator (ESPAR) antenna and Nordic Semiconductor nRF52840 utilizing Bluetooth Low Energy (BLE)...
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Hunting for the Magnesium(I) Species: Formation, Structure, andReactivity of some Donor-Free Grignard Compounds
PublicationMagnesium bromide radicals have to be prepared as high-temperature molecules and trapped as a metastable solution because a seemingly simple reduction of donor-free Grignard compounds failed. However, the essential role of magnesium(I) species during the formation of Grignard compounds could be demonstrated experimentally.
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Analysis-by-synthesis paradigm evolved into a new concept
PublicationThis work aims at showing how the well-known analysis-by-synthesis paradigm has recently been evolved into a new concept. However, in contrast to the original idea stating that the created sound should not fail to pass the foolproof synthesis test, the recent development is a consequence of the need to create new data. Deep learning models are greedy algorithms requiring a vast amount of data that, in addition, should be correctly...
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Bacteriophages as Factories for Eu2O3 Nanoparticle Synthesis
PublicationThe use of phage display to identify peptides with an ability to bind and synthesize Eu2O3 nanoparticles is demonstrated in this report. This is the first report of modified phages specifically binding a lanthanide. The peptides exposed on virions revealed very strong binding to Eu2O3 nanoparticles and the ability to catalyze Eu2O3 nanoparticles’ formation from Eu(OH)3 and Eu(NO3)3 solutions. The luminescence emission spectrum...
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Symmetry-Breaking Bifurcation for Free Elastic Shell of Biological Cluster, Part 2
PublicationWe will be concerned with a two-dimensional mathematical model for a free elastic shell of biological cluster. The cluster boundary is connected with its kernel by elastic links. The inside part is filled with compressed gas or fluid. Equilibrium forms of the shell of biological cluster may be found as solutions of a certain nonlinear functional-differential equation with several physical parameters. For each multiparameter this...
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New matrix-free reference material for ethene in the form of optical fibres
PublicationReference materials are indispensable in the qualitycontrol and quality assurance of analytical measurements. Onenovel approach to the generation of standard gaseous mixturesof toxic, reactive, volatile, labile, and malodorous substancesinvolves thermal decomposition or rearrangement, under definedtemperature conditions, of compounds immobilized, bychemical bonding, on the surface of an appropriate carrier torelease specific amounts...
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Free-air anomaly grid on the Gulf of Gdańsk
Open Research DataWe present an attempt to determine the accuracy of shipborne gravimetry for the needs of geoid determination. The shipborne gravity campaign, is the beginning of a series of gravimetry measurements in the Polish Exclusive Economy Zone. The campaign was conducted in the area where the accuracy of geoid determination is crucial for the safety of navigation...
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Efficient Synthesis of Functionalized Unsymmetrical Dialkyl Trisulfanes
PublicationWe have developed a convenient method for the synthesis of functionalized unsymmetrical dialkyl trisulfanes under mild conditions in very good yields. The designed method is based on the reaction of (5,5-dimethyl-2-thioxo-1,3,2-dioxaphosphorinan-2-yl)-disulfanyl derivatives with alkyl disulfanyl anions generated in situ from S-acetyl disulfanyl derivatives and sodium methoxide. The developed method allows for the preparation of...
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Hydrothermal synthesis of vanadium ammonium compounds – the crucial role of the pressure
PublicationDue to the structural diversity and chemical activity, vanadium oxides and their derivatives are continuingly in the great interest of scientist. In a large family of vanadium compounds, one of the most interesting are ammonium vanadates (with the general formula (NH4)xVyOz). They have received much attention because of their promising application as cathode material in mono- and multivalent-ion batteries [1]. Hydrothermal synthesis...
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Marek Czachor prof. dr hab.
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Nonlinear free and forced vibrations of a dielectric elastomer-based microcantilever for atomic force microscopy
PublicationThe majority of atomic force microcode (AFM) probes work based on piezoelectric actuation. However, some undesirable phenomena such as creep and hysteresis may appear in the piezoelectric actuators that limit their applications. This paper proposes a novel AFM probe based on dielectric elastomer actuators (DEAs). The DE is modeled via the use of a hyperelastic Cosserat model. Size effects and geometric nonlinearity are included...
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Synthesis and biological activity of mycophenolic acid-amino acid derivatives
PublicationIn search of new immunosuppressants, mycophenolic acid (MPA) was coupled with amino acid methyl esters followed by hydrolysis to analogs bearing free carboxylic groups. The obtained compunds were tested in vitro as growth inhibitors of lymphoid cell line (Jurkat) and human peripheral blood mononuclear cells (PBMC) from healthy donors. According to obtained results recovering of free carboxylic group increased their activity. Additionally,...
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Solvation of ionic liquids based on N-methyl-N-alkyl morpholinium cations in dimethylsulfoxide – volumetric and compressibility studies
PublicationThe density and sound velocity of the solutions of ionic liquids based on N-alkyl-N-methyl-morpholinium cations, N-ethyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-butyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, N-methyl-N-octyl-morpholinium bis(trifluoromethanesulfonyl)imide and N-decyl-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide in dimethylsulfoxide were measured at T = (298.15 to 318.15)...
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The role of centrifugal partition chromatography in the removal of β-asarone from Acorus calamus essential oil
PublicationΒ-asarone is a phenylpropane derivative present in the rhizomes of Acorus calamus, that was proved to exhibit toxic effects in humans. Because of its presence the whole plant that is commonly used in traditional medicine for its sedative, anti-inflammatory, neuroprotective and other properties has limited application nowadays. In the study, qualitative and quantitative analysis of a collection of nine essential oil (EO) samples...