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Search results for: EUTECTIC SOLVENTS
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Ultrasound assisted extraction
PublicationThe use of green and sustainable extraction techniques is very popular topic in the multidisciplinary area of chemistry, biology and technology. There is no doubt that extraction constitutes a very important step of analytical procedures of separation, detection, identification and determination of wide spectrum analytes from samples characterized by complex and very often nonhomogeneous composition of matrix. Traditional techniques...
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A Green Chemistry "environmentally friendly" approach to the synthesis of chloro-intermediates of ephedrine/pseudoephedrine
PublicationMethylamphetamine is an addictive stimulant drug that strongly activates certain systems in the brain. It is closely related chemically to amphetamine, but the central nervous system effects of methamphetamine are greater. There is much interest in methylamphetamine among scientists and therefore the synthesizes of methylamphetamine and its metabolites are carried out on a large scale in chemical laboratories. Globally, ephedrine...
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Photophysics of Soret-Excited Tin(IV) Porphyrins in Solution
PublicationThe photophysics of low-chlorin tin(IV) tetraphenylporphyrin dihydroxide, a core building block for axially substituted supramolecular tin porphyrin constructs, has been studied in a variety of hydrogen-bonding, nonpolar, and aprotic polar solvents using steady-state, nanosecond, and femtosecond time-resolved emission, and femtosecond time-resolved absorption methods. In hydrogen-bonding solvents the metalloporphyrin exists as...
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Green sample preparation techniques for chromatographic determination of small organic compounds
PublicationAccurate monitoring of the state of the environment requires the introduction of additional isolation and/or preconcentration step prior to the chromatographic determination. In this work the information about novel methodological and instrumental solutions in relation to different variants of microextraction techniques are presented. Attention is focused on analytical procedure and suitable analytical tools for extraction of the...
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Evaluation of the Greenness of Analytical Procedures
PublicationThis contributions introduces the need to develop the methods to evaluate analytical procedures in the light of green analytical chemistry. Green chemistry metrics are not applicable in analytical chemistry because they refer to the mass of product and no product with mass is generated during analytical determination. Analytical greenness evaluations are based on scoring - such as NEMI or Eco-scale or comparative analysis as it...
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A review: Fabrication of porous polyurethane scaffolds
PublicationThe aim of tissue engineering is the fabrication of three-dimensional scaffolds that can be used for the reconstruction and regeneration of damaged or deformed tissues and organs. A wide variety of techniques have been developed to create either fibrous or porous scaffolds from polymers, metals, composite materials and ceramics. However, the most promising materials are biodegradable polymers due to their comprehensive mechanical...
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The Sonocatalytic Activation of Persulfates on Iron Nanoparticle Decorated Zeolite for the Degradation of 1,4-Dioxane in Aquatic Environments
PublicationIn the chemical industry, 1,4-diethylene dioxide, commonly called dioxane, is widely used as a solvent as well as a stabilizing agent for chlorinated solvents. Due to its high miscibility, dioxane is a ubiquitous water contaminant. This study investigates the effectiveness of catalyst- and ultrasound (US)-assisted persulfate (PS) activation with regard to degrading dioxane. As a first step, a composite catalyst was prepared using...
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Aqueous Biphasic Systems Using Chiral Ionic Liquids for the Enantioseparation of Mandelic Acid Enantiomers
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES - PART I. CATIONIC COMPOUNDS = Oznaczanie Surfaktantów W Próbkach Środowiskowych. Część I. Związki Kationowe
PublicationCompounds from the group of cationic surfactants are widely applied in household, industrial, cleaning, disinfectant, cosmetic and pharmaceutical products as their specific properties (antimicrobial, emulsifying, anticorrosion, softening). After use, cationic surfactants are disposed to wastewater-treatment plants and finally with effluent water to surface waters due to their incomplete degradation. Moreover, they can freely circulate...
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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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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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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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Bio-based semi-aromatic polyesters for coating applications
PublicationLinear and branched bio-based semi-aromatic (co)polyesters were evaluated as resins for solvent-basedand powder coatings. Dimethyl-2,5-furandicarboxylate (DMF), 2,3-butanediol and various multifunc-tional comonomers were used to synthesize amorphous hydroxyl-end-capped (co)polyesters. The resinswere cross-linked using the -caprolactam blocked trimer of isophorone diisocyanate. Both the solvent-based and powder coatings proved to...
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Exploring the cocrystallization potential of urea and benzamide
PublicationThe cocrystallization landscape of benzamide and urea interacting with aliphatic and aromatic carboxylic acids was studied both experimentally and theoretically. Ten new cocrystals of benzamide were synthesized using an oriented samples approach via a fast dropped evaporation technique. Information about types of known bi-component cocrystals augmented with knowledge of simple binary eutectic mixtures was used for the analysis...
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Ground tire rubber functionalization as a promising approach for the production of sustainable adsorbents of environmental pollutants
PublicationWaste tires management and further utilization are currently one of the biggest concerns regarding the environment and human health protection. At present, shredding, grinding, or pulverization of waste tires are the most popular options for industrial recycling. Although many solutions for ground tire rubber (GTR) applications were checked and verified so far, their further implementation at an industrial scale is still very limited....
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Evaluation of Green Sample Preparation Techniques for Organic Compounds
PublicationNowadays, Green Analytical Chemistry (GAC) idea is of high importance, with impact on the rapid growth in the sample preparation area with special emphasis on sample preparation simplification, miniaturization and automation. Due to the fact that GAC is of high importance today, this study is focused on the evaluation of green sample preparation techniques for organic compounds. It is well known that sample preparation is considered...
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Improving carbon dioxide capture in aqueous ammonia solutions by fine SiO2 particles
PublicationAmmonia solutions are considered to be effective solvents for carbon dioxide absorption. Despite the numerous advantages of these solvents, their high volatility is a significant technical and economic problem. Therefore, in this work, silica particles were used as additives to improve CO2 absorption and inhibit NH3 desorption. SiO2 microparticles and colloidal SiO2 particles in the concentration range of 0-0.15 wt.% were used...
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An improved scalable method of isolating asphaltenes
PublicationA new, improved and scalable procedure of asphaltene fraction isolation is presented and compared to standard test methods. The new procedure uses 1:40 feedstock to solvent (n-heptane) ratio (g/mL), filtration through a cellulosic thimble and extensive washing in a Soxhlet type extractor. The group type composition and purity of the asphaltene fractions have been examined using thin-layer chromatography with flame-ionization detection....
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Challenges in determination of pesticides from various chemical groups in fruits and vegetables applying QuEChERS method
PublicationPesticides are a large group of compounds with different physical and chemical properties, which place some of them among the most toxic, environmentally stable, and mobile substances. Nevertheless, their number, use, and application are continuously expanding. A consequence of their use is the possible presence of residues in treated food products. To protect consumers from exposure to unacceptable levels of pesticides Maximum...
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Ionic liquids-based microextraction techniques
PublicationIn recent years, the development of highly efficient analytical techniques is of great importance, however, the direct analysis of complex sample matrix is still impossible in many cases. Therefore, the step of sample preparation is commonly involved in an analytical procedure. Over the years, it has been realized that the major source of inaccuracy and imprecision on general analysis results from the operations associated to sample...
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Implementation of multicriteria decision analysis in design of experiment for dispersive liquid-liquid microextraction optimization for chlorophenols determination
PublicationA novel and efficient approach to optimization of extraction step prior the chromatographic determination of nine chlorinated phenols is described. It is based on the combination of design of experiments and multicriteria decision analysis. Such an approach is used to optimize dispersive liquid-liquid microextraction procedure for the determination of 9 chlorophenols in water samples. Three parameters are optimized – sample volume,...
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Experimental and theoretical studies on the Sulfamethazine-Urea and Sulfamethizole-Urea solid-liquid equilibria
PublicationThe miscibility of active pharmaceutical ingredients with excipients is an important aspect in pharmaceutical technology protocols. In this study, the differential scanning calorimetry (DSC) was used for Sulfamethazine-Urea (SI–U) and Sulfamethizole-Urea (SO–U) solid-liquid phase diagrams determination. Both sulfonamides form simple binary eutectics with Urea. The lack of new co-crystal phase formation was confirmed by inspection...
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Analytical chemistry with biosolvents
PublicationOne of the current trends in green analytical chemistry is the introduction of green solvents, some of which are biobased. At the same time, the development of the biorefinery concept has allowed more biochemicals to be obtained with increased efficiency and from a wider range of feedstocks. The first examples of the use of biosolvents in analytical applications included extractions performed with alcohols, esters, and terpenes....
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DETERMINATION OF SURFACTANTS IN ENVIRONMENTAL SAMPLES. PART II. ANIONIC COMPOUNDS
PublicationSurfactants (SAA) with negative charge of polar group are named as anionic compounds. They are main constituent of most products containing synthetic surfactants. The linear alkylbenzene sulfonates (LAS), alkyl ethoxysulfates (AES) and alkyl sulfates (AS) are typically applied from this class of compounds. Those surfactants are ingredients of household detergents and cleaners, laundry detergents, cosmetic. Moreover they can be...
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Microwave assisted liquefaction with crude glycerol as a potential method of brewer's spent grain utylization
PublicationBrewer's spent grain was applied as a low-cost industrial type of lignocellulose biomass in a liquefaction and solvent: biomass ratio on the efficiency of the process, chemical structure and basic properties of obtained prepared polyols and soil residues shed light on the biomass degradation mechanism through application of microwaves and further reaction of degradation products with solvent particles.
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Molecularly imprinted polymers applied in capillary electrochromatography and electrophoresis techniques
PublicationMolecularly imprinted polymers (MIPs) are synthetic materials with predetermined selectivity for a particular analyte or group of structure-linked chemicals which make them an ideal separation component. The process of developing and applying new types of MIPs in the field of environmental analytical chemistry has been broadly discussedi n many scientific studies in recent years. The use of new types of MIP sorbents as unique sorption...
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Application of dispersive liquid - liquid microextraction for determination of pesticides from various chemical groups in water samples
PublicationPesticides are a global risk because they move with the wind, rain and sea currents from other regions, which makes getting to places which were never used before. Their presence was detected in all types of water circulating in the ecosystem, which is an easy source of exposure to life and health of all living organisms. Currently, it is considered one of the most dangerous and toxic pollutants, which fate and function is still...
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Linear and branched polyester resins based on dimethyl-2,5-furandicarboxylate for coating applications
PublicationIn this study, novel bio-based hydroxyl-functional (co)polyesters from dimethyl-2, 5-furandicarboxylate (DMF), 2,3-butanediol, and a variety of comonomers viz. glycerol, pentaerythritol or trimethylolpropane are prepared using a solvent-free, bulk polycondensation technique. Extensive molecular and thermal characterization was performed to elucidate the properties of these materials. The materials showed suitable properties for solvent-borne...
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Anion–water interactions of weakly hydrated anions: molecular dynamics simulations of aqueous NaBF4 and NaPF6
PublicationIn aqueous ionic solutions, both the structure and the dynamics of water are altered dramatically with respect to the pure solvent. The emergence of novel experimental techniques makes these changes accessible to detailed investigations. At the same time, computational studies deliver unique possibilities for the interpretation of the experimental data at the molecular level. Here, using molecular dynamics simulations, we demonstrate...
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Electronically Excited States in Solution via a Smooth Dielectric Model Combined with Equation-of-Motion Coupled Cluster Theory
PublicationWe present a method for computing excitation energies for molecules in solvent, based on the combination of a minimal parameter implicit solvent model and the equation-of-motion coupled-cluster singles and doubles method (EOM-CCSD). In this method, the solvent medium is represented by a smoothly varying dielectric function, constructed directly from the quantum mechanical electronic density using only two tunable parameters. The...
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Partial characterization of three Korean white lotus cultivars
PublicationThe nutritional and bioactive values of Korean white lotus cultivars (Muan, Chungyang, and Garam)extracted with methanol, water, and acetone solvents were evaluated by the contents of their bioactive compounds and antioxidant activity determined by ABTS, CUPRAC, FRAP, DPPH, and β-carotene-linoleic acid assays. HPLC, fluorometry, and FTIR spectroscopy were employed for evaluation of polyphenols and fatty acids. All lotus cultivar...
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Highly linear self-assembled porphyrin wires
PublicationAn efficient noncovalent assembly process involving high geometrical control was applied to a linear bis(imidazolyl zinc porphyrin) 7Zn, bearing C18 substitutents, to generate linear multiporphyrin wires. The association process is based on imidazole recognition within the cavity of the phenanthroline-strapped zinc porphyrin. In chlorinated solvents, discrete soluble oligomers were obtained after (7Zn)n was end-capped with a terminal...
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Liquid–phase microextraction: A review of reviews
PublicationSample preparation is an important step in chemical analysis. It is generally done to deal with problems associated with the nature of the matrix, low analyte concentrations in real samples or analyte features incompatible with the instrumentation. Classical methods of extraction consume large volumes of hazardous solvents and other reagents and are not in line with the recent emergence of green analytical chemistry. Liquid-phase...
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Modeling and MANOVA studies on toxicity and endocrine potential of packaging materials exposed to different extraction schemes
PublicationThe stability of the linings of packaging that is in contact with the goods stored has been of major concern during decades of the development of packaging materials. In this work, an attempt was undertaken to assess the applicability of using two bioassays (Microtox® and XenoScreen YES/YAS) in estimating the stability of packaging (cans, caps, multilayer material) and the impact of their degradation on the toxicity of some simulated media....
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“Green” nature of the process of derivatization in analytical sample preparation
PublicationNowadays, the idea of Green Analytical Chemistry (GAC) is of high importance what impacts on the rapid growth in the sample preparation area with special emphasis on sample preparation simplification, miniaturization, and automation. Because the derivatization process is often an essential element of the analytical procedure, it should be important to focus on this issue from GAC perspective and conduct a series of experiments...
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Self-assembled concentric stripes of diamond particles by a pinning-depinning mechanism
PublicationWe describe the novel mechanism of spontaneous formation of the concentric stripe patterns of microdiamonds via gradual solvent evaporation from a suspension confined in a teardrop well. The self-organized patterns exhibit a series of arcs with regular spacings varying between hundreds of micrometers and millimeters. They result from an interplay between the directional forced circulation of the solvent and a stick-slip movement...
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Comparison of different techniques for extracting Polychlorinated Biphenyls from bottom sediment samples using Isotope Dilution Mass Spectrometry
PublicationIn this work, problems that may occur during determination of trace levels of polychlorinated biphenyls in sediment samples are described. The main error sources are connected with extraction of analytes prior to final determination. During model studies, polychlorinated biphenyls have been extracted from sediment reference material (METRANAL 2) with the use of different solvents (dichloromethane, hexane, and toluene); the process...
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Iron(III)-selective materials based on a catechol-bearing amide for optical sensing
PublicationThe synthesis and ion-binding properties of a new amide L derived from 3,4-dihydroxybenzoic acid are described. Due to the presence of a catechol unit, the compound interacts selectively with iron(III) in organic solvent (dimethyl sulfoxide, DMSO) to produce a color change from pale yellow to green. The incorporation of the ligand L into polymeric matrices or its encapsulation into surfactant-based spheres enables analyte detection...
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Determination of parent and methylated polycyclic aromatic hydrocarbons in water samples by dispersive liquid–liquid microextraction–two dimensional gas chromatography–time-of-flight mass spectrometry
PublicationPolycyclic aromatic hydrocarbons (PAHs) are contaminants frequently found in environmental waters. Owing to their toxic effects, it is important to develop analytical methodologies that allow their fast and reliable determination. Dispersive liquid–liquid microextraction (DLLME) allows a quick extraction of analytes with little organic solvent consumption. The best results regarding sample preparation are obtained when 40 mL of...
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Application of molecularly imprinted polymers in analytical chiral separations and analysis
PublicationOver the last two decades the process of development and application of a new types of molecular imprinted polymer (MIP) sorbents in the field of analytical chemistry have been widely described in the literature. One of the new trends in analytical chemistry practice is the use of new types of MIP sorbents as specific sorption materials constituting the stationary phase in advanced separation techniques. The following review paper...
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The significance of the properties of water for the working cycle of the kinesin molecular motor
PublicationExplicit solvent molecular dynamics simulations were performed in this study to investigate and discuss several aspects of the influence of the properties of water on the working cycle of a molecular motor from the kinesin superfamily. The main objects of attention were: the binding of the neck linker and the association of the kinesin and the tubulin. The docking of the neck linker is considered a crucial event during the working...
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Application of Multivariate Adaptive Regression Splines (MARSplines) Methodology for Screening of Dicarboxylic Acids Cocrystal Using 1D and 2D Molecular Descriptors
PublicationDicarboxylic acids (DiAs) are probably one of the most popular cocrystals formers. Due to the high hydrophilicity and non-toxicity, they are promising solubilizes of active pharmaceutical ingredients (APIs). Although DiAs appear to be highly capable of forming multicomponent crystals with various compounds, some systems reported in the literature are physical mixtures the solid state without forming stable intermolecular complex....
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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Access to Side-On Bonded Tungsten Phosphanylphosphinidene Complexes
PublicationMetathesis reactions between diimido complexes of tungsten(VI)[(ArN)2WCl2] (Ar = 2,6-iPr2C6H3) and lithium derivatives of diphosphanes R2P-P(SiMe3)Li (R = tBu and iPr) yield two anionic diimido complexes of tungsten with side-on bonded phosphanylphosphinidene ligands, [(ArN)2WCl(η2-R2P-P)]-. Both complexes are structurally characterized. A possible reaction mechanism and the role of donor solvents are discussed on the basis of...
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Spectroscopic studies of a ring opening process between epoxy- and aminosilanes and imine formation reactions in aqueous solutions
PublicationNMR and Raman spectroscopy studies were performed for different 3-aminopropyl(trimethoxy)- and 3-glycidoxypropyl (trimethoxy)silane based sol-gel systems containing different ketones. Exceptionally stable imine products were obtained depending on a reaction system at alkaline pH conditions and in the presence of water. These imine formation reactions were carried out without further catalyst. In addition, effect of water for the...
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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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Solid Phase Micro-Extraction, a Versatile and Handy Tool in Environmental Trace Organic Analysis, Gets a New Class of Coatings, Polymeric Ionic Liquids
PublicationSolid phase microextraction (SPME) fundamentals, characteristics and application are described. The special stress is put on characteristics of sorbents used as SPME fiber coatings. Description of commercially available fibers and the present-day trends in development of new sorbents for SPME are given. Discussion is focused on possibility of application of ionic liquids (IL) and polymeric ionic liquids (PIL) as SPME fiber coatings....
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Rapid method for the determination of organochlorine pesticides and PCBs in fish muscle samples by microwave-assisted extraction and analysis of extracts by GC-ECD
PublicationA procedure for the multiresidue determination of organochlorine pesticides and polychlorinated biphenyls in fish muscle samples has been developed. The method is based on the microwave-assisted extraction (MAE) of food samples from an acetonitrile-water (95 + 5, v/v) mixture followed by SPE cleanup of the extracts and analysis by GC with an electron capture detector. MAE operational parameters, such as the extraction solvent,...
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Chemical structures, rheological and physical properties of biopolyols prepared via solvothermal liquefaction of Enteromorpha and Zostera marina biomass
PublicationIn this work, liquefied biomass from the Baltic Sea was used for the preparation of rigid polyurethane (PUR) foams. The biomass contained 10 wt% of Enteromorpha macroalgae and 90 wt% of Zostera marina seagrass characterized by a high content of cellulose. The influence of time, temperature and the type of solvent on the efficiency of the liquefaction process and properties of biopolyols was determined. Obtained materials were analyzed...