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Wyniki wyszukiwania dla: implicit solvent
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Solving Multi-Ship Encounter Situations by Evolutionary Sets of Cooperating Trajectories
PublikacjaAutor zaproponował nowe podejście do sytuacji kolizyjnych na morzu. Polega ono na zastąpieniu ewolucyjnej trajektorii własnej ewolucyjnym zbiorem trajektorii wszystkich obiektów. Podejście to umożliwia predykcję manewrowania obiektów obcych przy jednoczesnym zachowaniu efektywności algorytmów ewolucyjnych. Dodatkowo, opracowany już wstępnie przez autorów zbiór kryteriów, ograniczeń i operatorów specjalizowanych powinien zapewnić...
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Bayesian Optimization for solving high-frequency passive component design problems
PublikacjaIn this paper, the performance of the Bayesian Optimization (BO) technique applied to various problems of microwave engineering is studied. Bayesian optimization is a novel, non-deterministic, global optimization scheme that uses machine learning to solve complex optimization problems. However, each new optimization scheme needs to be evaluated to find its best application niche, as there is no universal technique that suits all...
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Computational issues of solving the 1D steady gradually varied flow equation
PublikacjaIn this paper a problem of multiple solutions of steady gradually varied flow equation in the form of the ordinary differential energy equation is discussed from the viewpoint of its numerical solution. Using the Lipschitz theorem dealing with the uniqueness of solution of an initial value problem for the ordinary differential equation it was shown that the steady gradually varied flow equation can have more than one solution....
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Three solvers for MIMO noise radar clutter cancellation - a performance comparison
PublikacjaThe 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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Microextraction by packed sorbent: Uncommon detection techniques, sorbents, samples and analytes
PublikacjaAmong 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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Glycerol and Natural Deep Eutectic Solvents Extraction for Preparation of Luteolin-Rich Jasione montana Extracts with Cosmeceutical Activity
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New Simple and Robust Method for Determination of Polarity of Deep Eutectic Solvents (DESs) by Means of Contact Angle Measurement
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Application of deep eutectic solvents in analytical sample pretreatment (update 2017–2022). Part A: Liquid phase microextraction
PublikacjaSustainable development in all branches of human activity has become an unequivocal necessity in the last two decades, and green chemistry goes hand in hand with it. Various ways have been proposed in analytical chemistry to meet the current requirements of green chemistry. One such approach is the research of new reagents and solvents for analytical purposes. Deep eutectic solvents (DESs) began being investigated and used in analytical...
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New Simple and Robust Method for Determination of Polarity of Deep Eutectic Solvents (DESs) by Means of Contact Angle Measurement
PublikacjaThe paper presents a new method for evaluating the polarity and hydrophobicity of deep eutectic solvents (DESs) based on the measurement of the DES contact angle on glass. DESs consisting of benzoic acid derivatives and quaternary ammonium chlorides–tetrabutylammonium chloride (TBAC) and benzyldimethylhexadecylammonium chloride (16-BAC)—in selected molar ratios were chosen for the study. To investigate the DESs polarity, an optical...
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Latest Insights on Novel Deep Eutectic Solvents (DES) for Sustainable Extraction of Phenolic Compounds from Natural Sources
PublikacjaPhenolic compounds have long been of great importance in the pharmaceutical, food, and cosmetic industries. Unfortunately, conventional extraction procedures have a high cost and are time consuming, and the solvents used can represent a safety risk for operators, consumers, and the environment. Deep eutectic solvents (DESs) are green alternatives for extraction processes, given their low or non-toxicity, biodegradability, and reusability....
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Effect of temperature and composition on physical properties of deep eutectic solvents based on 2-(methylamino)ethanol – measurement and prediction
PublikacjaNovel deep eutectic solvents were synthesized using 2-(methylamino)ethanol as hydrogen bond donor with tetrabutylammonium bromide or tetrabutylammonium chloride or tetraethylammonium chloride as hydrogen bond acceptors. Mixtures were prepared at different molar ratios of 1:6, 1:8 and 1:10 salt to alkanolamine and then Fourier Transform Infrared Spectroscopy measurements were performed to confirm hydrogen bonds interactions between...
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Perspectives on the replacement of harmful organic solvents in analytical methodologies: a framework toward the implementation of a generation of eco-friendly alternatives
PublikacjaVolatile organic solvents derived from non-renewable fossil feedstocks are commonplace in analytical laboratories. In spite of their convenient performance in countless unit operations, their environmental, health and safety issues represent a major area of concern. The progressive replacement of organic solvents obtained from fossil resources by eco-friendly alternatives would involve remarkable advances within the framework of...
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Extractive detoxification of feedstocks for the production of biofuels using new hydrophobic deep eutectic solvents – Experimental and theoretical studies
PublikacjaThe paper presents a synthesis of novel hydrophobic deep eutectic solvents (DESs) composed of natural components, which were used for removal of furfural (FF) and 5-hydroxymethylfurfural (HMF) from lignocellulosic hydrolysates. The main physicochemical properties of DESs were determined, followed by explanation of the DES formation mechanism, using 1H NMR, 13C NMR and FT-IR analysis and density functional theory (DFT). The most...
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Computationally Effcient Solution of a 2D Diffusive Wave Equation Used for Flood Inundation Problems
PublikacjaThis paper presents a study dealing with increasing the computational efficiency in modeling floodplain inundation using a two-dimensional diffusive wave equation. To this end, the domain decomposition technique was used. The resulting one-dimensional diffusion equations were approximated in space with the modified finite element scheme, whereas time integration was carried out using the implicit two-level scheme. The proposed...
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The comparison of the removal of copper(II) and zinc(II) ions from aqueous solution using 2,6-diaminopyridine in a polymer inclusion membrane and in a classic solvent extraction
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On the complex formation of iron(III) bromide in the space-demanding solvent N,N'-dimethylpropyleneurea and the structure of the trisbromoiron(III) complex i solution and crystalline state
PublikacjaPrzeprowadzono badania kalorymetryczne równowag kompleksów koordynacyjnych jonu żelaza(III) z jonami bromkowymi w DMPU. Stwierdzono, że w DMPU powstają trzy: mono-, di- i tribromkowe kompleksy żelaza(III) a ich powstawanie jest uwarunkowane zmianą entropii. Badania krystalograficzne dowiodły, że FeBr3 w roztworze DMPU ma konfigurację płaskiego trójkąta równobocznego, żadna cząsteczka rozpuszczalnika nie jest związana z jonem metalu,...
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Natural deep eutectic solvent based ultrasound assisted liquid-liquid micro-extraction method for methyl violet dye determination in contaminated river water
PublikacjaSimple and green natural deep eutectic solvent (NADES) based ultrasound assisted liquid-liquid micro-extraction (UA-LLME) method was developed for extraction and determination of methyl violet dye in contaminated river water samples using UV/Vis spectrophotometry. Choline chloride - decanoic acid based natural deep eutectic solvent was used for extraction. Important analytical parameters like pH, deep eutectic solvent volume/phase...
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Plant-based meat substitute analysis using microextraction with deep eutectic solvent followed by LC-MS/MS to determine acrylamide, 5-hydroxymethylfurfural and furaneol
PublikacjaFor the analysis of plant-based meat substitutes and the determination of Maillard reaction products such as acrylamide, 5-hydroxymethylfurfural and furaneol, a novel and effective procedure based on hydrophobic natural deep eutectic solvent and liquid chromatography coupled with tandem mass spectrometry was developed for the first time. The 49 compositions of the deep eutectic solvents were designed and screened to select the...
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Grzegorz Boczkaj dr hab. inż.
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Solving boundary value problems for delay differential equations by a fixed-point method
PublikacjaOgólne liniowe zagadnienie brzegowe dla nieliniowego układu równań różniczkowych z opóźnieniem jest redukowane do zagadnienia o punkcie stałym odpowiedniego operatora a następnie poszukiwany punkt stały tego operatora jest przybliżany funkcją kawałkami liniową zdefiniowaną poprzez jej wartości w węzłach. Przy odpowiednich założeniach istnienie tego punktu stałego jest równoważne istnieniu tzw. epsilon przybliżonych punktów stałych...
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Affine continuous cellular automata solving the fixed-length density classification problem
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GPU Acceleration of Multilevel Solvers for Analysis of Microwave Components With Finite Element Method
PublikacjaThe letter discusses a fast implementation of the conjugate gradient iterative method with ${rm E}$-field multilevel preconditioner applied to solving real symmetric and sparse systems obtained with vector finite element method. In order to accelerate computations, a graphics processing unit (GPU) was used and significant speed-up (2.61 fold) was achieved comparing to a central processing unit (CPU) based approach. These results...
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CMGNet: Context-aware middle-layer guidance network for salient object detection
PublikacjaSalient object detection (SOD) is a critical task in computer vision that involves accurately identifying and segmenting visually significant objects in an image. To address the challenges of gridding issues and feature...
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The role of organizational and spouse support in solving work-life conflict among migrants.
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The influence of magnetic particle incorporation on bisphenol A removal by β-cyclodextrin-derived sorbent
PublikacjaA novel, biomass-derived hybrid sorbent Ban-CD-EPI-Fe was successfully synthesized in a coprecipitation method, in which β-cyclodextrin copolymerized with banana peel extract and epichlorohydrin was grafted onto an iron oxide surface. The composition, presence of functional groups, morphology, thermal stability, and magnetic properties of the obtained material were characterized by Powder X-Ray Diffraction (XRD), X-Ray Photoelectron...
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Solving highly-dimensional multi-objective optimization problems by means of genetic gender
PublikacjaPaper presents a computational optimization study using a genetic gender approach for solving multi-objective optimization problems of detection observers. In this methodology the information about an individual gender of all the considered solutions is applied for the purpose of making distinction between different groups of objectives. This information is drawn out of the fitness of individuals and applied during a current parental...
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Solving highly-dimensional multi-objective optimization problems by means of genetic gender
PublikacjaPaper presents a computational optimization study using a genetic gender approach for solving multi-objective optimization problems of detection observers. In this methodology the information about an individual gender of all the considered solutions is applied for the purpose of making distinction between different groups of objectives. This information is drawn out of the fitness of individuals and applied during a current parental...
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General Mechanism of Osmolytes’ Influence on Protein Stability Irrespective of the Type of Osmolyte Cosolvent
PublikacjaThe stability of proteins in an aqueous solution can be modified by the presence of osmolytes. The hydration sphere of stabilizing osmolytes is strikingly similar to the enhanced hydration sphere of a protein. This similarity leads to an increase in the protein stability. Moreover, the hydration sphere of destabilizing osmolytes is significantly different. These solutes generate in their surroundings so-called “structurally different...
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Convergence of Monte Carlo algorithm for solving integral equations in light scattering simulations
PublikacjaThe light scattering process can be modeled mathematically using the Fredholm integral equation. This equation is usually solved after its discretization and transformation into the system of algebraic equations. Volume integral equations can be also solved without discretization using the Monte Carlo (MC) algorithm, but its application to the light scattering simulations has not been sufficiently studied. Here we present implementation...
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Novel binary mixtures of alkanolamine based deep eutectic solvents with water - thermodynamic calculation and correlation of crucial physicochemical properties
PublikacjaThis paper demonstrates the assessment of physicochemical and thermodynamic properties of aqueous solutions of novel deep eutectic solvent (DES) built of tetrabutylammonium chloride and 3-amino-1-propanol or tetrabutylammonium bromide and 3-amino-1-propanol or 2-(methylamino)ethanol or 2-(butylamino)ethanol. Densities, speeds of sound, refractive indices, and viscosities for both pure and aqueous mixtures of DES were investigated...
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Comprehensive evaluation of physical properties and carbon dioxide capacities of new 2-(butylamino)ethanol-based deep eutectic solvents
PublikacjaThe aim of this research was to assess the impact of the components of alkanolamine deep eutectic solvents (DESs) on the physical properties of those DESs and their carbon dioxide capacity. To achieve this goal, novel deep eutectic solvents were synthesized by using 2-(butylamino)ethanol (BAE) as the hydrogen bond donor (HBD), along with tetrabutylammonium bromide TBAB), tetrabutylammonium chloride (TBAC), or tetraethy- lammonium...
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Novel Binary Mixtures of Alkanolamine Based Deep Eutectic Solvents with Water—Thermodynamic Calculation and Correlation of Crucial Physicochemical Properties
PublikacjaThis paper demonstrates the assessment of physicochemical and thermodynamic properties of aqueous solutions of novel deep eutectic solvent (DES) built of tetrabutylammonium chloride and 3-amino-1-propanol or tetrabutylammonium bromide and 3-amino-1-propanol or 2-(methylamino)ethanol or 2-(butylamino)ethanol. Densities, speeds of sound, refractive indices, and viscosities for both pure and aqueous mixtures of DES were investigated...
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Solubility of Carbon Dioxide in Deep Eutectic Solvents Based on 3-Amino-1-Propanol and Tetraalkylammonium Salts at Low Pressure
PublikacjaDeep eutectic solvents (DESs) became an object of a great interest as an alternative to ionic liquids (ILs) and commonly used in CO2 capture amine solutions. In the present study, five different DESs based on 3-amino-1-propanol as physical-chemical CO2 absorbents were used. The composition was chosen in order to estimate the effects of hydrogen bond acceptor:hydrogen bond donor (HBA:HBD) molar ratio, anion type and length of alkyl...
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Recent advances in the recovery of precious metals (Au, Ag, Pd) from acidic and WEEE solutions by solvent extraction and polymer inclusion membrane processes – a mini-review
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Sensitive method for determination of benzoic acid in beverages and food samples using air–assisted hydrophobic deep eutectic solvent-based dispersive liquid-liquid microextraction
PublikacjaA simple, reliable and rapid air–assisted hydrophobic deep eutectic solvent-based dispersive liquid–liquid microextraction (AA-HDES-DLLME) was developed for analysis of benzoic acid in various beverages and food samples. The final determination stage was performed via UV–visible spectrophotometry. The key parameters (extraction time, HDES type and volume, dispersant volume, pH and sample volume) of the AA-HDES-DLLME method were...
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Ultrasound assisted solvent extraction of porous membrane-packed samples followed by liquid chromatography-tandem mass spectrometry for determination of BADGE, BFDGE and their derivatives in packed vegetables
PublikacjaThe problem of the presence of trace organic pollutants in food is of growing importance due to increasing awareness about their impact on newborns, infants and adults of reproductive age. Despite the fact that packaged food products offer many advantages, packaging can be a source of contamination for stored food. Thus, monitoring such pollution in food is of high importance. In this work, a novel methodology based on the solvent...
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Glasnik Slovenskega etnološkega društva / Bulletin of the Slovene Ethnological Society
Czasopisma -
PROPERTIES OF ONE DIMENSIONAL OPEN-CHANNEL STEADY FLOW EQUATIONS
PublikacjaIn this paper properties of discrete forms of one dimensional steady gradually varied flow equations are discussed. Such forms of flow equations are obtained as a result of approximation of their differential forms, which is required to solve them numerically. For such purpose explicit or implicit numerical approximation schemes for ordinary differential equations can be applied. It turns out that dependently on the chosen approximation...
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Density functional theory calculations on entire proteins for free energies of binding: Application to a model polar binding site
PublikacjaIn drug optimization calculations, the molecular mechanics Poisson-Boltzmann surface area (MM-PBSA) method can be used to compute free energies of binding of ligands to proteins. The method involves the evaluation of the energy of configurations in an implicit solvent model. One source of errors is the force field used, which can potentially lead to large errors due to the restrictions in accuracy imposed by its empirical nature....
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Distance measurement errors in silent FM-CW sonar with matched filtering
PublikacjaThe secretiveness of sonar operation can be achieved by using continuous frequency-modulated sounding signalswith reduced power and significantly prolonged repeat time. The application of matched filtration in the sonarreceiver provides optimal conditions for detection against the background of white noise and reverberation, and avery good resolution of distance measurements of motionless targets. The article shows that target...
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Towards an efficient multi-stage Riemann solver for nuclear physics simulations
PublikacjaRelativistic numerical hydrodynamics is an important tool in high energy nuclear science. However, such simulations are extremely demanding in terms of computing power. This paper focuses on improving the speed of solving the Riemann problem with the MUSTA-FORCE algorithm by employing the CUDA parallel programming model. We also propose a new approach to 3D finite difference algorithms, which employ a GPU that uses surface memory....
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Reverse flow routing problem solved by the Space-Time Conservation Method
PublikacjaW artykule rozpatruje się zagadnienie odwrotnej transformacji przepływów dla przypadku przepływu nieustalonego wolno zmiennego w kanałach otwartych, opisanego układem równań de Saint Venanta. Przedstawiono specyficzne dla rozpatrywanego przypadku problemy powstające na etapie jego rozwiązywania oraz zaproponowano efektywny algorytm obliczeniowy, wykorzystujący nową, atrakcyjną metodę czasoprzestrzennych objętości skończonych. Do...
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Investigation of vortex assisted magnetic deep eutectic solvent based dispersive liquid–liquid microextraction for separation and determination of vanadium from water and food matrices: Multivariate analysis
PublikacjaA new and simple vortex assisted magnetic deep eutectic solvent dispersive liquid–liquid microextraction procedure (VA-MDES-DLLME) was developed for the determination of vanadium (V) in food and water samples by flame atomic absorption spectrometry (FAAS). In the extraction medium, a bis(acetylpivalylmethane) ethylenediimine (H2APM2en) was used for the complexation of V(V) in sample solution at pH 6. The VA-MDES-DLLME was optimized...
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Development of an orbital shaker-assisted fatty acid-based switchable solvent microextraction procedure for rapid and green extraction of amoxicillin from complex matrices: Central composite design
PublikacjaIn this study, a cheap, fast and simple orbital shaker-assisted fatty acid-based switchable solvent microextraction (OS-FASS-ME) procedure was developed for the extraction of amoxicillin (AMOX) in dairy products, pharmaceutical samples and wastewater prior to its spectrophotometric analysis. Fatty acid-based switchable solvents were investigated for extracting AMOX. The key factors of the OS-FASS-ME procedure were optimized using...
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An air-assisted dispersive liquid phase microextraction method based on a hydrophobic magnetic deep eutectic solvent for the extraction and preconcentration of melamine from milk and milk-based products
PublikacjaIn the current research, a fast and sustainable air-assisted hydrophobic magnetic deep eutectic solvent-based dispersive liquid phase microextraction followed by UV–Vis spectrophotometry measurements was optimized for the extraction and determination of melamine in milk and milk-based products. The central composite design was applied for the optimization of factors affecting the recovery of melamine. Quantitative extraction of...
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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
PublikacjaThe 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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Tuning Ferulic Acid Solubility in Choline-Chloride- and Betaine-Based Deep Eutectic Solvents: Experimental Determination and Machine Learning Modeling
PublikacjaDeep eutectic solvents (DES) represent a promising class of green solvents, offering particular utility in the extraction and development of new formulations of natural compounds such as ferulic acid (FA). The experimental phase of the study undertook a systematic investigation of the solubility of FA in DES, comprising choline chloride or betaine as hydrogen bond acceptors and six different polyols as hydrogen bond donors....
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Molecularly imprinted polymers based on deep eutectic solvents as a greenest materials for selective extraction of emerging contaminants from complex samples
PublikacjaSome of the reagents applied in the synthesis of molecularly imprinted polymers (MIPs) may impact on health and the environment. Thus, a new generation of promising green chemicals are nowadays introduced and investigated, including deep eutectic solvents (DESs). DESs seems to be a reasonable choice as they are characterized as non-toxic, low cost, easy to prepare and biodegradable chemicals. This review presents the information...
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Ultrasound-Assisted Dispersive Liquid-Liquid Microextraction Using Deep Eutectic Solvents (DESs) for Neutral Red Dye Spectrophotometric Determination
PublikacjaDeep eutectic solvents (DES), which have low toxicity and are low cost, biodegradable, and easily synthesized, were used for the extraction of neutral red (NR) dye before its spectrophotometric analysis. DES, containing choline chloride as a hydrogen bond acceptor and phenol as a hydrogen bond donor with a molar ratio of 1:2, was used for the extraction of NR dye from aqueous media. The possible interaction of different DESs with...
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Thermal Instability of Choline Chloride-Based Deep Eutectic Solvents and Its Influence on Their Toxicity─Important Limitations of DESs as Sustainable Materials
PublikacjaDeep eutectic solvents (DESs) have become a hot topic in many branches of science due to their remarkable properties. They have been studied in a wide variety of applications. In particular, choline chloride (ChCl)-based DESs are one of the most commonly used representatives of these fluids. Nevertheless, in order to apply DESs in some fields, it is essential to guarantee their stability, reusability, and biocompatibility. In this...