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Search results for: EUTECTIC SOLVENTS
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Selection of Sorbents for Removing Operating Fluids at the Vehicle Dismantling Station
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Progress in development of molecularly imprinted polymers as sorbents for sample preparation
PublicationSample preparation has been one of the most often investigated steps in analytical procedures.These investigations are focused on problems such as isolation of analytes from the sample matrix, matrix implification, analyte enrichment to the level above the detection limit of the instrumentation used, and the removal of interfering species to improve the final determination. Techniques based on solid (adsorption) and pseudo liquid...
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CaO-based high temperature CO2 sorbents – Literature review
PublicationThe use of CaO-based adsorbents has a high potential to capture CO2 from various systems due to its high reactivity with CO2, high capacity, and low cost of naturally derived CaO. The application of CaO-based sorbents to remove carbon dioxide is based on a reversible reaction between CaO and CO2. However, multiple carbonation/calcination cycles lead to a rapid reduction in the sorption capacity of natural CaO, and therefore efforts...
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Krylov Space Iterative Solvers on Graphics Processing Units
PublicationCUDA architecture was introduced by Nvidia three years ago and since then there have been many promising publications demonstrating a huge potential of Graphics Processing Units (GPUs) in scientific computations. In this paper, we investigate the performance of iterative methods such as cg, minres, gmres, bicg that may be used to solve large sparse real and complex systems of equations arising in computational electromagnetics.
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Thermodynamic properties of inorganic salts in nonaqueous solvents. II. Apparent molar volumes and compressibilities of divalent transition-metal perchlorates in acetonitrile
PublicationW oparciu w wyniki pomiarów gęstości wykonanych w temperaturze 15,20,25,30,35,40 i 50 stopni Celsjusza oraz pomiaru szybkości dżwięku w temperaturze 25 stopni Celsjusza, wyznaczono pozorne objętości molowe oraz ściśliwości adiabatyczne roztworów nadchloranów manganu(II), kobaltu(II), niklu(II) i cynku(II). Obliczono odpowiednie wartości standardowe oraz rozszerzalności izobaryczne. Przeanalizowano związki między strukurą elektronową...
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The Copper(II) Ions Solvent Extraction with a New Compound: 2,6-Bis(4-Methoxybenzoyl)-Diaminopyridine
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FeCl3-Modified Carbonaceous Catalysts from Orange Peel for Solvent-Free Alpha-Pinene Oxidation
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
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A comparison of three solvent-free techniques coupled with gas chromatography for determining trihalomethanes in urine samples
PublicationDążenie do oznaczania lotnych analitów organicznych w próbkach płynów biologicznych charakteryzujących się złożonym, a często zmiennym składem matrycy, stanowi siłę napędową do działań analityków w zakresie poszukiwania nowych rozwiązań metodycznych i aparaturowych. Publikacja ta przedstawia porównanie trzech technik zastosowanych do tych celów: technikę analizy fazy nadpowierzchniowej z generacją strumienia ciekłego sorbentu...
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Geochemical markers and polycyclic aromatic hydrocarbons in solvent extracts from diesel engine particulate matter
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Modulating D-amino acid oxidase (DAAO) substrate specificity through facilitated solvent access
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Convenient and efficient N-methylation of secondary amines under solvent-free ball milling conditions
PublicationIn the present work, we report the development of a rapid, efcient, and solvent-free procedure for the N-methylation of secondary amines under mechanochemical conditions. After optimization of the milling parameters, a vibrational ball mill was used to synthesize 26 tertiary N-methylated amine derivatives in a short time of 20 min (30 Hz frequency) and high yields ranging from 78 to 95%. An exception was compounds having a hydroxyl...
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A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity
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Effect of some organic solvent - water mixtures composion on precipitated calcium carbonate in carbonation process
PublicationPrecipitated calcium carbonate particles were obtained during carbonation of calcium hydroxide slurry with carbon dioxide. Aqueous solutions of isopropyl alcohol, n-butanol and glycerol were used as solvents. Concentration of organic additives in the reactive mixture was from 0 to 20 % (vol.). Precipitation process were performed in a stirred tank reactor equipped with gas distributor. Multimodal courses of particles size distribution...
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublicationThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
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Helium-assisted, solvent-free electro-activation of 3D printed conductive carbon-polylactide electrodes
PublicationFused filament fabrication is one of the most rapidly developing 3D printing techniques, with numerous applications, including in the field of applied electrochemistry. Here, the utilisation of conductive carbon black polylactic acid (CB-PLA) for 3D printouts is the most promising. To use CB-PLA as an electrode material, an activation process must be performed, removing the polymer matrix and uncovering the electrically conductive...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublicationHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Microextraction by packed sorbent: Uncommon detection techniques, sorbents, samples and analytes
PublicationAmong sample preparation approaches, the most desirable are procedures that ensure high efficiency and reproducibility, that are cheap, fast and simple, that minimize the number of operational steps and that require a small amount of sample and solvent and are thus environmentally friendly. Microextraction by packed sorbent (MEPS) is a miniaturized form of solid-phase extraction, the use of which has been continuously expanding...
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Retention behaviour of some high-intensity sweeteners on different SPE sorbents
PublicationThe objective of this paper is to provide information about application of solid phase extraction (SPE) for isolation of nine high-intensity sweeteners (acesulfame-K, alitame, aspartame, cyclamate, dulcin, neotame, saccharin, sucralose and neohesperidin dihydrochalcone) from aqueous solutions. The influence of several types of LC-MS compatible buffers (different pH values and compositions) on their recovery has been studied and...
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Treatment Wetland effluent quality improvement by usage sorbents of various origin
PublicationTWs are finding as low-cost and also effective system to treat domestic wastewater. The aim of this study is to find suitable adsorbing material for application in an additional treatment unit where treatment wetlands do not provide sufficient PO4 3- reduction level. Material M1 is a fine-grained by-product of thermal treatment of carbonate-siliceous rock (opoka) with high content of calcium carbonate CaCO3 in temperature 700°C....
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Deflated Preconditioned Solvers for Parametrized Local Model Order Reduction
PublicationOne of steps in the design of microwave filters is numerical tuning using full-wave simulators. Typically, it is a time-consuming process as it uses advanced computational methods, e.g. the finite-element method (FEM) and it usually requires multiple optimization steps before the specification goals are met. FEM involves solving a large sparse system of equations at many frequency points and therefore its computational cost is...
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Thermodynamic properties of inorganic salt in nonaqeous solvents. IV. Apparent molar volumes and compressibilities of divalent transition-metal bromides and chlorides in acetonitrile
PublicationWykonano pomiary gęstości roztworów chlorków i bromków w acetonitrylu w temperaturze 288.15, 293.15, 298.15, 303.15, 308.15, 313.15 K oraz pomiar szybkości rozchodzenia się dźwięku w badanych roztworach w temperaturze 298.15 K. Uzyskane wartości pozwoliły wyznaczyć pozorne objętości molowe oraz pozorne adiabatyczne ściśliwości, których wartości oraz zmiany ze stężeniem tłumaczone są obecnością złożonych układów komplesów w roztworze.
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Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublicationThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
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Sulfuric acid modified clinoptilolite as a solid green catalyst for solvent-free α-pinene isomerization process
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The application of single drop extraction technique for chromatographic determination of solvent residues in edible oils and pharmaceutical products
PublicationW pracy przedstawiono zalety i wady techniki ekstrakcji do pojedynczej kropli, będącą prostą i tanią alternatywą dla mikroekstrakcji do fazy stacjonarnej. Ponadto opisano dwie analityczne procedury do chromatograficznego oznaczania wybranych rozpuszczalników organicznych (heksanu, benzenu, toluenu oraz trichlorometanu, 1,1,1-trichloroetanu, tetrachlorometanu, trichloroetylenu, tetrachloroetenu)w olejach jadalnych i próbkach farmaceutycznych....
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Validation of SPME-GC and HS-GC procedures for the determination of selected solvent residues in edible oil matrices
PublicationW pracy przedstawiono przebieg procesu walidacji, przeprowadzonej zgodnie ze wskazaniami ICH (International Conference on Harmonization), procedur wykorzystywanych do oznaczania pozostałości wybranych rozpuszczalników w olejach jadalnych i preparatach farmaceutycznych. W celu izolacji i wzbogacania analitów wykorzystano dwie bezrozpuszczalnikowe techniki ekstrakcyjne: ekstrakcję do fazy nadpowierzchniowej (HS) i mikroekstrakcję...
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Multivariable optimization of ultrasound-assisted solvent extraction of bee pollen prior to its element analysis by FAAS
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Antioxidant potential of various solvent extract from Morus alba fruits and its major polyphenols composition
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GC-FID determination of C2-C4 aliphatic monocarboxylic acids in aqueous samples preceded by solvent extraction
PublicationEkstrakcja za pomocą eteru metylo-tert-butylowego (MTBE) została wykorzystana do izolacji krótkołańcuchowych alkanowych kwasów monokarboksylowych (2-4 atomy węgla w cząsteczce) z próbek o matrycy wodnej. Całkowita wydajność dwukrotnej ekstrakcji z próbek wodnych kwasów: octowego, propionowego i masłowego wynosiła odpowiednio ok. 55% , ok. 90% i ponad 90%. Wydajności ekstrakcji są porównywalne z wartościami uzyskiwanymi w przypadku...
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A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system
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Base-Catalyzed, Solvent-Free Synthesis of Rigid V-Shaped Epoxydibenzo[b,f][1,5]diazocines
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Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
PublicationThis study investigated the solubility of benzenesulfonamide (BSA) as a model compound using experimental and computational methods. New experimental solubility data were collected in the solvents DMSO, DMF, 4FM, and their binary mixtures with water. The predictive model was constructed based on the best-performing regression models trained on available experimental data, and their hyperparameters were optimized using a newly...
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Vibrational spectroscopic studies of N,N'-dimethylpropyleneurea-water system: Affected solvent spectra and factor analysis
PublicationZmierzono widma FT-IR układu N,N'-dimetylopropylenomocznik (DMPU) - woda w całym zakresie składów w zakresie 4000-500 cm-1 przy użyciu techniki całkowitego wewnętrznego odbicia (ATR). Hydratacja DMPU została dodatkowo zbadana przy pomocy transmisyjnej spektroskopii FT-IR izotopowo rozcieńczonej HDO w H2O. Widma zanalizowano przy użyciu ilościowej wersji metody widm różnicowych, prowadzącej do wyizolowania widma rozpuszczalnika...
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Solventless and solvent-minimized sample preparation techniques for determining currently used pesticides in water samples: A review
PublicationThe intensification of agriculture means that increasing amounts of toxic organic and inorganic compounds are entering the environment. The pesticides generally applied nowadays are regarded as some of the most dangerous contaminants of the environment. Their presence in the environment, especially in water, is hazardous because they cause human beings to become more susceptible to disease. For these reasons, it is essential to...
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Application of multicriteria decision analysis in solvent type optimization for chlorophenols determination with a dispersive liquid–liquid microextraction
PublicationThis study presents a novel support tool for the optimization and development of analytical methods. The tool is based on multi-criteria decision analysis (MCDA), namely the Technique for Order of Preference by Similarity to the Ideal Solution (TOPSIS), that allows users to rank possible solutions according to their requirements. In this study, we performed rankings of pairs of eight extraction and three dispersive solvents used...
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Volatile Organohalogen Compounds Determination with Dispersive Liquid-Liquid Microextraction Applying Solvent Lighter than Water
PublicationBackground: Volatile organohalogen compounds (VOX) are a group of environmental pollutants that risk the quality of drinking water. These compounds are characterized by certain acute and chronic toxicities, possessing mutagenic properties. Because of these potential risks factors that these compounds cause, the maximum allowable concentrations (MACs) have been established by respective organizations. The abundance of VOX, their...
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublicationW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Emissions and toxic units of solvent, monomer and additive residues released to gaseous phase from latex balloons
PublicationThis study describes the VOCs emissions from commercially available latex balloons. Nine compounds are determined to be emitted from 13 types of balloons of different colors and imprints in 30 and 60°C. The average values of total volatile organic compounds (TVOCs) emitted from studied samples ranged from 0.054 up to 7.18 μg∙g-1 and from 0.27 up to 36.13 μg∙g-1 for 30oC and 60oC, respectively. The dataset is treated with principal...
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Green aspects of techniques for the determination of currently used pesticides in environmental samples
PublicationPesticides are among the most dangerous environmental pollutants because of their stability, mobility and long-term effects on living organisms. Their presence in the environment is a particular danger. It is therefore crucial to monitor pesticide residues using all available analytical methods. The analysis of environmental samples for the presence of pesticides is very difficult: the processes involved in sample preparation are...
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Thermodynamic properties of inorganic salts in nonaqueous solvents. V. Apparent molar volumes and compressibilities of divalent transition metal bromides in N,N-dimethylformamide
PublicationZmierzono gęstości i szybkości rozchodzenia się dźwięku roztworów bromków dwuwartościowych metali przejściowych w N,N-dimetyloformamidzie. W oparciu o uzyskane parametry wyznaczono pozorne objętości i ściśliwości molowe. Dokonano analizy oraz zbadano wpływ kompleksowania na wyznaczone wielkości.
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Thermodynamic properties of inorganic salts in nonaqueous solvents. III. Apparent molar volumes and compressibilities of divalent transition-metal chlorides in N,N-dimethylformamide
PublicationZmierzono gęstości i szybkości dźwięku dla roztworów chlorków dwuwartościowych metali przejściowych w N,N-dimetyloformamidzie. W oparciu o uzyskane wyniki wyznaczono pozorne objętości molowe, cząstkowe objętości molowe, rozszerzalności izobaryczne oraz ściśliwości adiabatyczne. Dokonano analizy oraz zbadano wpływ kompleksowania na wyznaczone wielkości.
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Thermodynamic properties of inorganic salts in nonaqueous solvents. I. Apparent molar volumes and compressibilities of divalent transition-metal perchlorates in N,N-dimethylformamide.
PublicationZmierzono gęstości i szybkość dźwięku dla roztworów nadchloranów dwuwartościowych metali przejściowych w N,N-dimetyloformamidzie. W oparciu o uzyskane wyniki wyznaczono pozorne objętości molowe, cząstkowe objętości molowe, rozszerzalności izobaryczne oraz ściśliwości adiabatyczne. Dokonano analizy oraz zbadano wpływ rodzaju kationu metalu.
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Thermodynamic Properties of Inorganic Salts in Nonaqueous Solvents. VI. Apparent Molar Volumes, Expansibilities, and Compressibilities of Divalent Transition Metal Ions in Methanol and Dimethylsulfoxide
PublicationThe temperature dependence of the density of divalent transition metal perchlorates in dimethylsulfoxide as well as cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol was determined. Moreover, sound velocities for solutions of cobalt(II), nickel(II) perchlorates, and copper(II) trifluoromethanesulfonate in methanol have been measured at 298.15 K. From these data, the partial molar volumes,...
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Monitoring of occupational exposure to volatile organohalogen solvents (VOXs) in human urine samples of dry-cleaner workers by TLHS-DAI-GC-ECD procedure
PublicationChlorinated hydrocarbon solvents are often used for dry-cleaning clothes in the laundry industry. The object of this study was to monitor the occupational exposure of dry-clean employees coming into contact with VOXs. 25 workers collected their urine samples before the work shift, after 4 hours of work and after the work shift. The analyses of urine samples and solvents used in dry-cleaning were performed using TLHS-DAI-GC-ECD....
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The triple-sorbents solid-phase extraction for pharmaceuticals and estrogens determination in wastewater samples
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Three solvers for MIMO noise radar clutter cancellation - a performance comparison
PublicationThe problem of canceling strong clutter echos in a MIMO noise radar is considered. Execution times of three algorithms is compared. The first solution is a standard Least Squares approach employing Cholesky decomposition of the transmitted signal sample autocorrelation matrix. The second approach is based on careful waveform design which guarantees that the signal sample autocorrelation matrix has Toeplitz structure. This enables...
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Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
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Development of headspace solid-phase microextraction-gas chromatography method for the determination of solvent residues in edible oils and pharmaceuticals
PublicationW pracy przedstawiono wyniki opracowania procedury oznaczania pozostałości rozpuszczalników organicznych w olejach jadalnych z wykorzystaniem techniki HS-SPME na etapie izolacji i wzbogacania analitów. Przedstawiono proces optymalizacji etapu izolacji i rozdzielenia związków. Dla każdego z analitów wyznaczono parametry walidacyjne charakteryzujące procedurę tj. granice wykrywalności, granicę oznaczalności, liniowość, zakres pomiarowy,...
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Effect of Water Content in Ethylene Glycol Solvent on the Size of ZnO Nanoparticles Prepared Using Microwave Solvothermal Synthesis
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Chemometric determination of solute-affected solvent vibrational spectra as a superior way of information extraction on solute solvation phenomena
PublicationW pracy zaprezentowano dwie chemometryczne metody wyznaczania widm zaburzonych rozpuszczalnika oraz liczby cząsteczek zaburzonych, na podstawie zmierzonych serii wibracyjnych widm FT-IR roztworów substancji. Pierwsza z metod została stworzona na podstawie Namiarowej Analizy Faktorowej (ang. Target Factor Analysis). Druga z nich wykorzystuje algorytm izolacji widm czystych składników z serii widm mieszanin. Działanie obu metod zostało...