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Wyniki wyszukiwania dla: SOLVENT EFFECTS
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Experimental and Theoretical Screening for Green Solvents Improving Sulfamethizole Solubility
PublikacjaSolubility enhancement of poorly soluble active pharmaceutical ingredients is of crucial importance for drug development and processing. Extensive experimental screening is limited due to the vast number of potential solvent combinations. Hence, theoretical models can offer valuable hints for guiding experiments aimed at providing solubility data. In this paper, we explore the possibility of applying quantum-chemistry-derived...
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Green Analytical Chemistry Approaches in Sample Preparation
PublikacjaThis chapter presents environmentally friendly solutions for sample preparation. Attention is focused on extraction techniques and the minimization of organic solvent consumption, as the large quantitiesused in analytical laboratories are a pressing environmental problem. Solventless sample preparation techniques, alternative solvents, mediated extractions are discussed. The principle of each technique isbriefly described, together...
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublikacjaDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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Improved finite element method for flow, heat and solute transport of Prandtl liquid via heated plate
PublikacjaIn the current study, a vertical, 3D-heated plate is used to replicate the generation of heat energy and concentration into Prandtl liquid. We discuss how Dufour and Soret theories relate to the equations for concentration and energy. In order to see how efectively particles, interact with heat and a solvent, hybrid nanoparticles are used. It does away with the phenomena of viscous dissipation and changing magnetic felds. The motivation...
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New procedure for the control of the treatment of industrial effluents to remove volatile organosulfur compounds
PublikacjaWe present a new procedure for the determination of volatile organosulfur compounds in samples of industrial effluents using dispersive liquid–liquid microextraction and gas chromatography with flame photometric detection. Initially, the extraction parameters were optimized. These included: type and volume of extraction solvent, volume of disperser solvent, salting out effect, pH, time and speed of centrifugation as well as extraction...
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Spectroscopic and photophysical properties of ZNTPP in a room temperature ionic liquid
PublikacjaThe steady-state absorption and emission spectra and the time-resolved Soret- and Q-band excited fluorescence profiles of the model metalloporphyrin, ZnTPP, have been measured in a highly purified sample of the common room temperature ionic liquid, [bmim][PF(6)]. S(2)-S(0) emission resulting from Soret-band excitation behaves in a manner completely consistent with that of molecular solvents of the same polarizability. The ionic...
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Composite 2D Material-Based Pervaporation Membranes for Liquid Separation: A Review
PublikacjaToday, chemistry and nanotechnology cover molecular separations in liquid and gas states by aiding in the design of new nano-sized materials. In this regard, the synthesis and application of two-dimensional (2D) nanomaterials are current fields of research in which structurally defined 2D materials are being used in membrane separation either in self-standing membranes or composites with polymer phases. For instance, pervaporation...
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Analytical procedures for the determination of surfactants in environmental samples
PublikacjaBecause of their specific physical and chemical properties (amphiphilicity, solubility in polar and nonpolar liquids, ability to form micelles, adsorption at phase boundaries, low toxicity) surfactants (surface-active compounds) are widely applied in industry and in the household. As their applications are on a very large scale, it has become necessary to acquire a more detailed understanding of their environmental fate.In the...
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublikacjaThe present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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An in situ derivatization – dispersive liquid–liquid microextraction combined with gas-chromatography – mass spectrometry for determining biogenic amines in home-made fermented alcoholic drinks
PublikacjaA novel dispersive liquid–liquid microextraction (DLLME) gas chromatography mass-spectrometry(GC–MS) method was developed for the determination of 13 biogenic amines in home-made wine sam-ples. The method allows to simultaneous extraction and derivatization of the amines providing a simpleand fast mode of extract enrichment. During the study, two different procedures were examined. Sta-tistical analysis was performed to choose...
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Microextraction Techniques Used in the Procedures for Determining Organomercury and Organotin Compounds in Environmental Samples
PublikacjaDue to human activities, the concentrations of organometallic compounds in all parts of the environment have increased in recent decades. The toxicity and some biochemical properties of mercury and tin present in the environment depend on the concentration and chemical form of these two elements. The ever-increasing demand for determining compounds at very low concentration levels in samples with complex matrices requires...
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Influence of silver-core gold-shell nanoparticle parameters on the variation of surface-enhanced Raman spectra
PublikacjaThe detection of molecules by surface-enhanced Raman spectroscopy (SERS) is dependent on the nanomaterial used to induce the enhancement effect. This depends on a variety of parameters of the substrate such as the metal used for their creation, their shape, size and size distribution, concentration, as well as the parameters of the solution, such as packing of the nanoparticles, the complexity of the sample, the solvent, etc. It...
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Phenolic compounds from Nerium oleander leaves: microwave assisted extraction, characterization, antiproliferative and cytotoxic activities
PublikacjaA microwave-assisted extraction (MAE) method was used for the extraction of phenolic compounds from Nerium oleander leaves. The influence of variables such as ethanol concentration, microwave power, irradiation time and liquid/solid ratio on polyphenol extraction was modelled using a second-order regression equation based on response surface methodology (RSM). The optimal conditions for MAE were: extraction solvent 35% ethanol...
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Suspension and process parameters selection for electrophoretic deposition of Mn–Co spinel coating on steel interconnects
PublikacjaMetallic interconnect coatings, consisting of MnCo2O4 spinel, were effectively applied to Crofer 22 APU using the electrophoretic deposition (EPD) method in both H2O: ethanol and pure ethanol solvents. The primary goal of this method was to prevent chromium migration, minimize evaporation, and control the oxidation rate. The study aimed to assess the quality, adhesion, and thickness of the Mn–Co coating, with the objective of...
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The reactions of dialkyl phosphites and phosphine oxides with iodosylbenzene
PublikacjaThe reaction of iodosylbenzene with >P(O)H type of acids (dialkyl phosphites, secondary phosphine oxides) was studied. The acids of >P(O)H type add to iodosylbenzene to yield intermediate 6 which in the aprotic solvents yields oxidation products, it means >P(O)OH acids and/or anhydride of >P(O)OP(O)< type. On the other hand if the reaction is performed in alcohol as a solvent in the presence of sodium alcoholate >P(O)OR ester is...
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Hydration of urea and its derivatives - Volumetric and compressibility studies
PublikacjaThe densities and sound velocities at T = (288.15, 293.15, 298.15, 303.15 and 308.15) K have been measured for aqueous solutions of urea, N,N-dimethylurea, N,N-diethylurea, N-propylurea, N-butylurea. From these data the apparent molar volumes, V the apparent molar isentropic compressions, KS,, and the Passynski solvation numbers of solutes have been determined. The concentration dependencies of the calculated quantities, their...
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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
PublikacjaThe 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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Deep eutectic solvents vs ionic liquids: Similarities and differences
PublikacjaDeep eutectic solvents (DES) were introduced as an alternative to ionic liquids (IL) to overcome the drawbacks of IL solvents. However, some authors consider them to be a subclass of ILs. In contrast, other authors emphasize that these are by their nature independent, different groups of substances. Thus, the question arises: Which solvent group should DESs belong to? Maybe a new class should be added to the existing ones. The...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublikacjaIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Deep Eutectic Solvents as Agents for Improving the Solubility of Edaravone: Experimental and Theoretical Considerations
PublikacjaIn this study, both practical and theoretical aspects of the solubility of edaravone (EDA) in Deep Eutectic Solvents (DESs) were considered. The solubility of edaravone in some media, including water, can be limited, which creates the need for new efficient and environmentally safe solvents. The solubility of EDA was measured spectrophotometrically and the complex intermolecular interactions within the systems were studied with...
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Communication: Inside the water wheel: Intrinsic differences between hydrated tetraphenylphosphonium and tetraphenylborate ions
PublikacjaTetraphenylphosphonium tetraphenylborate (TPTB) is a common reference electrolyte in physical chemistry of solutions allowing for a convenient partitioning of thermodynamic properties into single-ion contributions. Here, we compute on the basis of ab initio molecular dynamics simulations the infrared (IR) spectra for hydrated constituent ions of the TPTB assumption. Using spectral decomposition techniques, we extract important...
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Investigation of antifungal and antibacterial potential of green extracts of propolis
PublikacjaPropolis extracts have been used in traditional medicines since ages due to its advantageous complex chemical composition. However, the antibacterial and antifungal activity of poplar propolis extracts prepared in Natural Deep Eutectic Solvent (NADES) are seldom studied. This study investigates suitable alternate for ethanol as a solvent for extraction for Polish poplar propolis. It also attempts to identify suitable extraction...
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Solvation of alkaline earth metal ions in N,N-dimethylformamide and N,N-dimethylacetamide – A volumetric and acoustic study
PublikacjaDensities and sound velocities at temperatures (298.15, 303.15, 308.15, 313.15 and 318.15) K of magnesium(II), calcium(II) and strontium(II) rifluoromethanesulfonates (triflates), as well as barium(II) perchloratein N,N-dimethylformamide (dmf) and N,N-dimethylacetamide (dma) have been measured over the composition range studied. From these results, apparent molar volumes and apparent molar isentropic compressibilities at infinite...
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Electrochemical Activity of Electrode Material Consisting of Porous Copper and Silica Aerogel
PublikacjaElectrochemically obtained copper was combined with silica aerogel (SiO2ag). Obtained composite (SiO2@Cu/CuxOy) was tested as an electrode in contact with LiPF6 in EC/DMC electrolyte. The electrochemical measurements showed the presence of complex redox couple activities of SiO2@Cu/CuxOy. This experiment was employed to help in understanding the carbon role used as an electric contact for silica in Li-Ion batteries and clarify...
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How water mediates the long-range interactions between remote protein molecules
PublikacjaThe high crowding of macromolecules in the cytoplasm affects the processes that occur inside a living cell. It can, for example, promote the forming of various loosely connected structures of proteins. It also means that bulk water is, essentially, not present there. The relatively thin layer of solvent that separates macromolecules may be able to participate in the long-range interactions between them and make them respond to...
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Styrene Oxidation by Copper(II) Complexes Salen-Type Encapsulated into Nay Zeolite
PublikacjaThe copper(II) complex with a Schiff-base salen-type ligand has been encapsulated in the nanopores of a NaY zeolite by using two different methodologies, the flexible ligand and in situ complex preparation methods. The encapsulated and non-encapsulated copper(II) complexes were screened as catalysts for styrene oxidation by using TBHP as the oxygen source in acetonitrile solvent. Under the optimized conditions, the catalysts exhibited...
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Determination of fuel combustion product in airport runoff water samples using liquid–liquid extraction with gas chromatography–spectrometry
PublikacjaDetermination of xenobiotics in samples of airport runoff water is both a complex and indispensable task due to an increasing threat resulting from the activities of numerous airports. The aim of this study was to develop, optimize, and validate a procedure based on liquid–liquid extraction (LLE) coupled with gas chromatography–mass spectrometry (GC–MS) for the determination of polycyclic aromatic hydrocarbons (PAHs). So far, no...
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Intensification of catechin extraction from the bark of Syzygium cumini using ultrasonication: Optimization, characterization, degradation analysis and kinetic studies
PublikacjaCatechin is a prominent polyphenolic component that possesses various medicinal properties. Present work communicates the intensification and optimization of catechin extraction from the bark of Syzygium cumini tree using stirred reactor, soxhlet, ultrasonic bath, and ultrasonic horn technique. The optimization of several parameters such as type of solvent, solid to solvent ratio (1:100 w/v), speed of agitation (300 RPM), extraction...
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Dispersive liquid-liquid microextraction combined with gas chromatography–mass spectrometry for in situ determination of biogenic amines in meat: Estimation of meat's freshness
PublikacjaA dispersive liquid-liquid microextraction (DLLME) gas chromatography–mass spectrometry (GC–MS) technique was developed for the determination of selected biogenic amines (BAs) in samples of poultry, pork and beef. Prior to the extraction process, an appropriate volume of sodium hydroxide solution was added to each of the portioned samples. Next, samples were homogenized, centrifuged and finally sonicated at an increased temperature....
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Greener organic solvents in analytical chemistry
PublikacjaThe paper presents the most recent advances in analytical applications of greener organic solvents. Substitution of problematic solvents with more benign organic ones is much easier than shifting to technique applying alternative solvents, such as ionic liquids or supercritical fluids. In the area of liquid chromatography greener mobile phases, much attention is given to application ethanol or acetone instead of acetonitrile. Solvent-based...
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Excited-state proton transfer and geminate recombination in the molecular cage of β-cyclodextrin
PublikacjaExcited-state proton transfer and geminate recombination in aqueous heptakis(2,6-di-O-methyl)-β-cyclodextrin have been compared with those in water by monitoring the photoinduced prototropic tautomerization of 6-hydroxyquinoline, which occurs via forming anionic intermediate. Enol deprotonation decelerates by 18 times whereas its reverse process accelerates slightly with encapsulation. The imine protonation of the intermediate...
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Synthesis and properties of carboxy derivative of Epidian 6 monomethacrylate (in English)
PublikacjaWe present the synthesis of an oligomer with carboxy and methacrylic groups based on Epidian 6. The effect of the catalyst nature and amount, solvent nature and process temperature on the rate of the reaction between Epidian6 monomethacrylate and adipic acid was examined at 313, 323 and 333 K in the presence of 4-dimethylaminopyridine, 1,4-diazobicyclo[2.2.2]octane, and benzyltriammonium chloride. The synthesized oligomer was characterized...
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Development and Validation of SPE-HPLC-MS/MS Method for Determining Cyclophosphamide in Surface Waters
PublikacjaA rapid and selective method for trace amounts determination of cyclophosphamide in surface water samples has been developed. A solid phase extraction SPE method for extraction and clean-up procedure has been optimized for determination by reversed-phase high-performance liquid chromatography with tandem mass spectrometry. The analyses proceed in the positive ion mode by means of the electrospray ionization method (ESI). Clean...
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Fast, sensitive and reliable multi-residue method for routine determination of 34 pesticides from various chemical groups in water samples by using dispersive liquid – liquid microextraction coupled with gas chromatography – mass spectrometry
PublikacjaA simple and efficient dispersive liquid-liquid microextraction technique (DLLME) was developed by using a mixture of two solvents: 40 μL of tetrachlorethylene (extraction solvent) and 1.0 mL of methanol (disperser solvent), which was rapidly injected with a syringe into 10mL ofwater sample. Some important parameters affecting the extraction efficiency, such as type and volume of solvents, water sample volume, extraction time,...
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New approach for e-cigarette aerosol collection by an original automatic aerosol generator utilizing melt-blown non-woven fabric
PublikacjaCurrently, there is lack of standardized conditions for the collection and analysis of e-cigarette (EC) aerosol. Considering the urgent need for the development of these guidelines, a procedure for EC aerosol analysis was developed. A novel automatic e-cigarette aerosol generator was designed. For the first time, melt-blown non-woven fabric was applied for the effective uptake of compounds released from vaporized e-liquid. The...
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Emissions of selected monoaromatic hydrocarbons as a factor affecting the removal of single-use polymer barbecue and kitchen utensils from everyday use
PublikacjaThe main focus of this study is the emission of monoaromatic hydrocarbons because these are the preliminary factors of potential solvent and monomer residues present in single-use plastic barbecue and kitchen utensils comprising polystyrene, polypropylene, natural cellulose, and biodegradable polymers intended for use with hot meal or beverages. Herein, the emissions of monoaromatic hydrocarbons (styrene, benzene, toluene, ethylbenzene,...
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How to make membrane distillation greener? A review on environmentally friendly and sustainable aspects
PublikacjaThere is an urgent need for the development of new water resources in order to solve the problem of the world’s growing demand for clean water. Membrane distillation (MD) is a promising alternative to conventional seawater desalination. Although MD itself is often defined as sustainable desalination technology, there are many aspects within the membrane manufacture and process operation that make it far from being green. For instance,...
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Development of thin film SPME sorbents based on deep eutectic solvents and their application for isolation and preconcentration of endocrine-disrupting compounds leaching from diapers to urine
PublikacjaIn this study, the thin film solid phase microextraction (TF-SPME) based on a novel sorbent composed of deep eutectic solvent (DES) is proposed. Among several synthesized sorbents the most efficient was DES containing trihexyl(tetradecyl)phosphonium chloride and docosanol mixed with polydimethylsiloxane (PDMS) in a molar ratio 1:3:0.25 to achieve a more stable structure. The proposed sorbent was applied on a fiberglass mesh and...
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Liquefaction of macroalgae Enteromorpha biomass for the preparation of biopolyols by using crude glycerol
PublikacjaThis article describes the liquefaction process of macroalgae Enteromorpha with the use of crude glycerol as a solvent and a reagent, aimed at obtaining of new bio-polyols, which are characterized with respect to their chemical structure, physical and thermal properties. Six different biopolyols were prepared. In order to optimize the liquefaction of algal biomass for the best bio-polyol properties, two catalysts (sulfuric or orthophosphoric...
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Preparation, characterization and antimicrobial activity of polyvinyl alcohol/gum arabic/chitosan composite films incorporated with black pepper essential oil and ginger essential oil
PublikacjaIn this study, biocomposite films based on polyvinyl alcohol (PVA), gum arabic (GA) and chitosan (CS) incorporated with BPEO and GEO were fabricated by solvent casting method. FTIR, XRD, SEM and DSC were performed with mechanical and antimicrobial properties of PVA/GA/CS films with and without BPEO and GEO. The BPEO and GEO incorporated PVA/GA/CS films were significantly inhibited the growth of Bacillus cereus, Staphylococcus aureus,...
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The hydration of selected biologically relevant molecules – the temperature effect on apparent molar volume and compression
PublikacjaThe densities and sound velocities at T = (288.15, 293.15, 298.15, 303.15 and 308.15) K were measured for aqueous solutions of glycine, trimethylamine-N-oxide, taurine and N-methylacetamide. From these data, the apparent molar volumes, V the apparent molar isentropic compressions, KS,, and the Passynski hydration numbers of solutes were determined. The concentration dependencies of the calculated quantities, their limiting values...
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Miniaturized solid-phase extraction techniques
PublikacjaMore than 80% of analysis time is spent on sample collection and sample preparation, so sample preparation is a critical part of the analytical process. Traditionally, liquid-liquid extraction was developed and employed to screen for general unknowns. However, solid-phase extraction (SPE) is becoming highly popular as an alternative, due to its simplicity and economy in terms of time and solvent. This review summarizes the current...
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Synergistic effect of multi walled carbon nanotubes and reduced graphene oxides in natural rubber for sensing application
PublikacjaUtilizing the electrical properties of polymer nanocomposites is an important strategy to develop high performance solvent sensors. Here we report the synergistic effect of multi walled carbon nanotubes (MWCNTs) and reduced graphene oxide (RGO) in regulating the sensitivity of the naturally occurring elastomer, natural rubber (NR). Composites were fabricated by dispersing CNTs alone and together with exfoliated RGO sheets (thermally...
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Salicylaldimine-based receptor as a material for iron(III) selective optical sensing
Publikacjaα,α-Bis(salicylimino)-m-xylene (L) was prepared using both conventional and microwave-assisted procedure. The compound exhibits ability to colorimetric recognition of iron(III) ions in aqueous environment, what is shown by significant color change from yellow to purple. In DMSO : water (9:1 v/v) solvent system receptor creates with iron(III) cations complexes of 2:1 stoichiometry (L:Fe3+) with stability constant (log K) 7.54±0.21....
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SAFE - technika izolacji związków zapachowych z próbek żywności
PublikacjaOznaczanie składników odpowiedzialnych za zapach produktów żywnościowych dokonywane za pomocą technik chromatograficznych obejmuje dwa zasadnicze etapy: przygotowanie próbki i identyfikację (rozdzielenie połączone z odpowiednią metodą detekcji). Ze względu na skomplikowaną matrycę, specyfikę związków zapachowych - samoistne ich uwalnianie z matrycy, jak i możliwość zachodzenia przemian, kluczowym elementem analizy żywności jest...
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Multi-objective optimization of microextraction procedures
PublikacjaOptimization of extraction process requiresfinding acceptable conditions for many analytes and goodperformance in terms of process time or solvent consumption. These optimization criteria are oftencontradictory to each other, the performance of the system in given conditions is good for some criteriabut poor for others. Therefore, such problems require special assessment tools that allow to combinethese contradictory criteria into...
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Determination of Surfactants in Environmental Samples. Part III. Non-Ionic Compounds
PublikacjaNon-ionic surface active agents are a diverse group of chemicals which have an uncharged polar head and a non-polar tail. They have different properties due to amphiphilic structure of their molecules. Commercial available non-ionic surfactants consist of the broadest spectrum of compounds in comparison with other types of such agents. Typically, non-ionic compounds found applications in households and industry during formulation...
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On the relationship between the structural and volumetric properties of solvated metal ions in O-donor solvents using new structural data in amide solvents
PublikacjaThe structures of the N,N-dimethylformamide (dmf), N,N-dimethylacetamide (dma), and N,N-dimethylpropionamide (dmp) solvated strontium and barium ions have been determined in solution using large angle X-ray scattering and EXAFS spectroscopy. The strontium ion has a mean coordination number (CN) between 6.2 and 6.8, and the barium ion has a mean CN between 7.1 and 7.8 in these amide solvents. The non-integer numbers indicates that...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublikacjaInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Polyurethanes for Coating, Adhesives, and Other Applications
PublikacjaAn interesting group of polyurethane (PU) materials are coatings, adhesives, sealants, and thickeners. A wide base of raw materials and various methods of PU synthesis allows production of materials with a wide range of properties that can be commonly used in many industries. This chapter describes the main types of PU coatings and adhesives and special application PUs and the methods of their production. The materials described...