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Wyniki wyszukiwania dla: SOLVENT EFFECTS
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Solvent effects on the nitrogen NMR chemical shifts in 1-methylazoles – a theoretical study
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Theoretical analysis of solvent effects on nitrogen NMR chemical shifts in oxazoles and oxadiazoles
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Solvent effects on fluorescence properties of protochlorophyll and its derivatives with various porphyrin side chains
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Solvent effects for proton transfer reaction from dimethyl(4-nitrophenyl)malonate to cis 1,2-bis(diethylaminomethyl)cyclohexane
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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublikacjaThe 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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Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
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Deep eutectic solvent enhances antibacterial activity of a modular lytic enzyme against Acinetobacter baumannii
PublikacjaIn this study, we evaluated the combined effect between MLE-15, a modular lytic enzyme composed of four building blocks, and reline, a natural deep eutectic solvent. The bioinformatic analysis allowed us to determine the spatial architecture of MLE-15, whose components were bactericidal peptide cecropin A connected via a flexible linker to the cell wall binding domain (CBD) of mesophilic 201ϕ2 − 1 endolysin and catalytic domain...
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Headspace Solvent Microextraction
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Removal of organic compounds from water by solvent sublation. Criteria for solvent selection.
PublikacjaProces flotoekstrakcji zastosowano do usuwania z wody następujących związków organicznych: tetrachlorku węgla, chloroformu, 1,3,5-trimetylobenzenu (mezytylenu), fenolu i 2,4,5-trichlorofenolu. Jako odbierające fazy organiczne użyto: olej mineralny, 1-dekanol, 1-oktanol, octan amylu, dodekan i tetradekan. Mechanizmem decydującym o usuwaniu lotnych związków organicznych (VOC) było odparowanie do wnętrza pęcherzyków gazu, podczas...
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Removal of sulfur from a solvent extract
PublikacjaThe presence of sulfur in a solvent extract that is to be analyzed chromatographically impairs and sometimes precludes properinterpretation of the chromatogram, as the sulfur peak masks the peaks of other compounds present in the sample, and sulfur alsodisrupts the operation of the mass detector. This means that discrepancies in the results can lead to erroneous interpretations andfalse assessments of environmental risk. For this...
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Solvent dependency of carbon dioxide Henry's constant in aqueous solutions of choline chloride-ethylene glycol based deep eutectic solvent
PublikacjaThe Henry's constants of carbon dioxide absorbed in aqueous solutions of ethaline (choline chloride-ethylene glycol) were determined for temperatures ranging from 303.15 to 323.15 K based on solubility measurement at CO2 pressure ranging from 0 to 6 bar (0.6 MPa). These studies revealed that the Henry's constant increased with the increase of temperature. Data indicated the highest capacity of CO2 absorption is obtained for ethaline...
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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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The solvent-free thermal dehydration of hexitols on zeolites
PublikacjaPodczas termicznej dehydratacji heksytoli w obecności zeolitów otrzymano szereg produktów zachodzących zarówno z inwersją lub retencją konfiguracji przy asymetrycznych atomach węgla. Produkty rozdzielano i identyfikowano przy pomocy chromatografii i spektroskopii NMR. 1,4:3,6-dianhydroiditol scharakteryzowano przy pomocy rentgenowskiej analizy strukturalnej.
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Remarks on use of the term “deep eutectic solvent” in analytical chemistry
PublikacjaAbout 20 years ago, Abbott and co-workers researched new solvents that were based on mixtures of choline chloride with urea and carboxylic acids and that were liquid at ambient temperature. The term “deep eutectic solvent” (DES) was later adopted for similar mixtures. As DESs have a number of interesting features, they quickly attracted the attention of researchers and found application in various branches of chemical and materials...
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A solvent selection guide based on chemometrics and multicriteria decision analysis
PublikacjaThe selection of suitable solvents is a crucially important subject in a wide range of chemical processes. This study presents a solvent selection guide where 151 solvents were assessed, including a significant number of recently reported bio-based solvents. The assessment procedure involves grouping of solvents according to their physicochemical parameters and ranking within clusters according to their toxicological and hazard...
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Challenges and Possibilities of Deep Eutectic Solvent-Based Membranes
PublikacjaDeep eutectic solvents (DES) are a category of a new class of solvents that can overcome some of the main drawbacks of typical solvents and ionic liquids (ILs). DES have been widely investigated and applied by the research community in several applications since their invention. Over the past years, the use of DES has been directed to the production of new materials and items for new products and processes. This is the case for...
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Green aspects of sample preparation - a need for solvent reduction
PublikacjaWzrastające zainteresowanie ochroną środowiska zmusza chemików, łącznie z chemikami analitykami, do modyfikacji chemicznej aktywności w taki sposób aby była ona prowadzona zgodnie z zasadami zielonej chemii. W artykule przedstawiono przegląd problemów zielonej chemii w dziedzinie przygotowania próbek do analizy, koncentrując się szczególnie na zaletach tzw. bezrozpuszczalnikowych technik przygotowania próbek. Przedstawiono techniki...
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The role of water in deep eutectic solvent-base extraction
PublikacjaDeep eutectic solvents (DESs) are currently being used in different sectors, such as electrochemistry, electrodeposition, organic synthesis, nanoparticle preparation, bioactive compound separation, etc. Their use in analytical chemistry has only recently begun to expand. Despite the publication of a sufficient number of DES-based analytical extraction procedures, some details, such as interaction of DESwith the sample and target...
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Pervaporation Zeolite-Based Composite Membranes for Solvent Separations
PublikacjaThanks to their well-defined molecular sieving and stability, zeolites have been proposed in selective membrane separations, such as gas separation and pervaporation. For instance, the incorporation of zeolites into polymer phases to generate composite (or mixed matrix) membranes revealed important advances in pervaporation. Therefore, the goal of this review is to compile and elucidate the latest advances (over the last 2-3 years)...
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Minimal parameter implicit solvent model for ab initioelectronic-structure calculations
PublikacjaAbstract - We present an implicit solvent model for ab initio electronic-structure calculations which is fully self-consistent and is based on direct solution of the nonhomogeneous Poisson equation. The solute cavity is naturally defined in terms of an isosurface of the electronic density according to the formula of Fattebert and Gygi (J. Comput. Chem., 23 (2002) 662). While this model depends on only two parameters, we demonstrate...
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Predicting sulfanilamide solubility in the binary mixtures using a reference solvent approach
PublikacjaBackground. Solubility is a fundamental physicochemical property of active pharmaceutical ingredients. The optimization of a dissolution medium aims not only to increase solubility and other aspects are to be included such as environmental impact, toxicity degree, availability, and costs. Obtaining comprehensive...
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THE INFLUENCE OF THE TYPE SOLVENT ON THE STRUCTURE OF CHITOSAN BLENDS WITH HYALURONIC ACID
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pH/Organic Solvent Double-Gradient Reversed-Phase HPLC
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Influence of aprotic solvent on selectivity of an amperometric sensor with nafion membrane
PublikacjaW publikacji przedstawiono rezultaty badań dotyczące selektywności amperometrycznego czujnika ditlenku siarki z membraną nafionową wobec tlenku węgla i dwutlenku azotu jako interferentów. Zostały porównane współczynniki selektywności dla czujników wypełnionych roztworami elektrolitów zawierających wodne roztwory kwasu siarkowego i różne ilości rozpuszczalnika aprotycznego - dimetylosulfotlenku.
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Impedance investigations of amperometric gas sensor containing aprotic solvent
PublikacjaSkonstruowany został amperometryczny czujnik gazowy w układzie trójelektrodowym ze złotą elektrodą roboczą bezpośrednio napyloną na membranę Nafionową. W publikacji przedstawiono wyniki badań charakterystyk czujnika do oznaczania ditlenku siarki wypełnionego elektrolitem zawierającym różne względne zawartości DMSO/H2O. Wyniki badań impedancyjnych zostały przeanalizowane w oparciu o zaproponowany elektryczny układ zastępczy.
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Influence of aprotic solvent on a signal of an amperometric sensor with Nafion membrane
PublikacjaW pracy przedstawiono wyniki badań charakterystyk analitycznych amperometrycznego czujnika ditlenku siarki wyposażonego w mebranę nafionową i wypełnionego roztworami elektrolitów o różnej zawartości dimetylosulfotlenku. Ocenie poddany został wpływ zawartości DMSO w roztworze elektrolitu wewnętrznego czujnika oraz prędkości przepływu gazu na czułość czujnika i czas odpowiedzi na zmiany stężenia ditlenku siarki.
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Intermolecular Interactions as a Measure of Dapsone Solubility in Neat Solvents and Binary Solvent Mixtures
PublikacjaDapsone is an effective antibacterial drug used to treat a variety of conditions. However, the aqueous solubility of this drug is limited, as is its permeability. This study expands the available solubility data pool for dapsone by measuring its solubility in several pure organic solvents: N-methyl-2-pyrrolidone (CAS: 872-50-4), dimethyl sulfoxide (CAS: 67-68-5), 4-formylmorpholine (CAS: 4394-85-8), tetraethylene pentamine (CAS:...
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Bio‐polyols synthesized by liquefaction of cellulose: Influence of liquefaction solvent molecular weight
PublikacjaCurrently, the plastics industry including polyurethanes is based on the use of petrochemicals. For this reason, scientists are looking for new types of renewable resources for the substitution of petrochemical substances. This work aims to evaluate the effect of polyethylene glycols (PEG) with different molecular mass impact on properties of bio-based polyols synthesized via biomass liquefaction of cellulose. To date, research...
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Deodorization of model biogas by means of novel non-ionic deep eutectic solvent
PublikacjaThe paper presents new non-ionic deep eutectic solvent (DES) composed of natural and non-toxic components i.e. guaiacol, camphor and levulinic acid in 1:1:3 molar ratio as a promising absorbent for removal of selected volatile organic compounds (VOCs) including dichloromethane, toluene, hexamethyldisiloxane and propionaldehyde from model biogas. The affi nity of DES for VOCs was determined as vapour-liquid coeffi cients and the...
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Statistical evaluation of the changes in cellulose properties caused by the stepwise solvent exchange and esterification
PublikacjaThe objective of the research was to empirically confirm the changes in cellulose reactivity caused by the pre-treatment with solvents of different polarity. Therefore, 5 solvents varying in their polar component of surface tension from 0 to 4.6 mN/m were chosen. Their impact on the biopolymer properties was carefully analysed concerning chemical structure, crystallinity and surface characteristics. It was revealed that the length...
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Diethyl carbonate as a green extraction solvent for chlorophenol determination with dispersive liquid–liquid microextraction
PublikacjaThe principles of green analytical chemistry indicate that the search for greener organic solvents for extraction applications is crucial. In this study diethyl carbonate (DEC) is proved to be a green solvent, as it is relatively nontoxic, obtainable from renewable resources and biodegradable. Here it is applied as an extraction solvent for chlorophenol determination in water samples with dispersive liquid–liquid microextraction....
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Influence of surfactants on interaction forces between polyethylene surfaces in a hydrocarbon solvent.
PublikacjaPrzeprowadzono bezpośrednie pomiary oddziaływań międzyfazowych pomiędzy cząstkami polietylenowymi w środowisku n-tetradekanu z dodatkiem surfaktantów(kwasu larynowego i dodecyloaminy). Dodatek surfaktantów wpłynął na wzrost oddziaływań odpychających pomiędzy powierzchniami polietylenowymi, szczególnie w przypadku dodecyloaminy. Zaobserwowano obecność wzrostu sferycznych sił odpychających ze wzrostem temperatury.
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Extraction of acidic herbicides from soil by means of accelerated solvent extraction.
PublikacjaZaprezentowano opracowanie procedury izolacji herbicydów kwasowych z gleby z zastosowaniem urządzenia DIONEX ASE 200. Celem było zoptymalizowanie warunków pracy urządzenia: czasu, temperatury, ciśnienia oraz ilości cykli ekstrakcji. Ostatecznie ekstrakty, po przeprowadzeniu analitów w pochodne metylowe, poddano analizie chromatograficznej (GC).
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Solvent residue determination in Uncaria Tomentosa Bark by HS-GC technique
PublikacjaPrzedstawiono wyniki oznaczeń pozostałości rozpuszczalników organicznych w preparacie uzyskanym z kory liany U. Tomentosa, wykorzystywanej do produkcji farmaceutyków i dodatków do żywności. 1,1,2-trichloroeten oraz dichlorometan są powszechnie stosowane do usunięcia z kory kilku grup alkaloidów o znanych właściwościach biologicznych, co umożliwia zbadanie pozostałych jej związków. Ilościowe oznaczanie tych rozpuszcalników jest...
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Solvent extraction of copper ions by 3-substituted derivatives of β-diketones
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Combined pH/organic solvent gradient HPLC in analysis of forensic material
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Accelerated solvent extraction-gas chromatographic determination of acidic herbicides in soil
PublikacjaPrzyspieszona ekstrakcja rozpuszczalnikiem z wykorzystaniem wody jako ekstraktanta okazała się skutecznym sposobem izolacji herbicydów kwasowych (MCPP, MCPA, 2,4-D, 2,4,5-T, PCP, dinoseb, dinoterb) z próbek gleby. Wysoka zawartość substancji iłowych powodowała problemy techniczne, które udało się pokonać poprzez zwiększenie stosunku piasku do gleby w celce ekstrakcyjnej. Anality przenoszono z ekstraktu wodnego do rozpuszczalnika...
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Controlling the size and morphology of precipitated calcite particles by the selection of solvent composition
PublikacjaCalcium carbonate particles were obtained in the reaction of calcium hydroxide with carbon dioxide at 65°C. Initial Ca(OH)2 suspensions were prepared in pure water and aqueous solutions of ethylene glycol or glycerol of the concentration range up to 20% (vol.). The course of reaction was monitored by conductivity measurements. Precipitated solids were analyzed by FTIR, XRD, SEM and the particles size distribution was determined...
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Green aspects of techniques for the determination of currently used pesticides in environmental samples
PublikacjaPesticides 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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Self-assembled concentric stripes of diamond particles by a pinning-depinning mechanism
PublikacjaWe 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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Fabrication of Composite Polyurethane/Hydroxyapatite Scaffolds Using Solvent-Casting Salt Leaching Technique
PublikacjaScaffolds are porous three-dimensional structures which are used to fill bone losses and make them possible to cells to grow. Many different structural and biological properties are required from them: porosity, mechanical strength and biocompability. The present research is aimed at development of composite polyurethane/hydroxyapatite scaffolds by using the solvent-casting salt leaching method. The SEM examinations were applied...
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SYNTHETIZED MEMBRANES FOR ULTRASOUND-ASSISTED SOLVENT EXTRACTION OF POROUS MEMBRANE PACKED SOLID SAMPLES.
PublikacjaMembranes are becoming more and more popular in analytical chemistry, which is why they are used, among others, in extraction processes. Therefore, this work focuses on the process of synthesis PVDF membranes and its optimization. The obtained membranes were used as bags for the phthalate extraction in disposable diapers for babies. Extraction was accomplished by method ultrasound-assisted solvent extraction of porous PVDF membrane...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublikacjaHydrated 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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Mechanical and physical assessment of epoxy, mineral, solvent-based, and water-soluble coating materials
PublikacjaThis paper assesses the behavior of mineral, epoxy (EP), solvent, and water-soluble coatings when exposed to salt and regular water for 28 days. Also, it evaluates the pull-off adhesion strength of the same coating materials applied to concrete slabs saturated with oil and water and dried with two different processes: air-dried for 28 days and air-dried for 14 days plus 14 days in the oven at 70 °C. Properties such as carbonation,...
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The porosity and morphology of PU foams prepared by solvent casting/salt leaching method with different solvents
PublikacjaIn this study, the polyurethane (PU) system based on poly(ethylene-butylene) adipate diol, 1,6-hexamethylene diisocyanate, 1,4-butanediol and ascorbic acid is used to prepare a foamed material. Polymer foams were created using solvent casting/salt-particle leaching (SC/PL) method. The influence of the PU concentration in different solutions [either in a DMF or in DMF with THF as a co-solvent] on the morphology and porosity of the...
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Determination of aliphatic amines in water by gas chromatography using headspace solvent microextraction
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One‐Pot Synthesis of Selected P‐Vinylbenzyls under Solvent‐Free Conditions
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Anharmonic Infrared Spectroscopy through the Fourier Transform of Time Correlation Function Formalism in ONETEP
PublikacjaDensity functional theory molecular dynamics (DFT-MD) provides an efficient framework for accurately computing several types of spectra. The major benefit of DFTMD approaches lies in the ability to naturally take into account the effects of temperature and anharmonicity, without having to introduce any ad hoc or a posteriori corrections. Consequently, computational spectroscopy based on DFT-MD approaches plays a pivotal role in...
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Convenient and efficient N-methylation of secondary amines under solvent-free ball milling conditions
PublikacjaIn 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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Volatile Organohalogen Compounds Determination with Dispersive Liquid-Liquid Microextraction Applying Solvent Lighter than Water
PublikacjaBackground: 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...