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Wyniki wyszukiwania dla: implicit solvent
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Donor properties of water in organic solvents derived from infrared spectraof HDO
PublikacjaPrzedyskutowano niektóre ilościowe aspekty kooperatywności wiązań wodorowych wody. Zaproponowano skalę własności elektronodonorowych wody w środowisku aprotycznych rozpuszczalników organicznych, pochodną w stosunku do skali liczb donorowych Gutmanna.
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SOLVENT EXTRACTION AND ION EXCHANGE
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JABAT Middleware as a Tool for Solving Optimization Problems
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Estimating Intercept Range of Silent Sonar
PublikacjaWhen used in military application, sonars should ensure secretiveness. There is some evidence suggesting that silent sonars have a significant advantage over pulse sonars in the respect. If improved, the secretiveness of silent sonar translates into the distance over witch its soundings signal are detected by intercept sonars. The article gives estimated distances for far, medium, and short range sonars operating in the oceans...
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Molecular Heteroconjugation Equilibria in (n-Butylamine + Acetic Acid) Systems in Binary (Dimethyl Sulfoxide + 1,4-Dioxane) Solvent Mixtures
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Three-step stacking by field-enhanced sample injection, sweeping, and micelle to solvent stacking in capillary electrophoresis: Anionic analytes
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Three-step stacking of cationic analytes by field-enhanced sample injection, sweeping, and micelle to solvent stacking in capillary electrophoresis
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
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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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Molecular heteroconjugation equilibria in (n-butylamine + acetic acid) systems in binary (dimethyl sulfoxide + 1,4-dioxane) solvent mixtures
PublikacjaWyznaczono stałe kwasowe Ka(HA), Ka(BH+) oraz stałe równowagi KAHA-, KBHE+ i KAHB, w układach (n-butyloamina + kwas octowy) bez przeniesienia protonu w binarnych mieszaninach rozpuszczalników (DMSO + 1,4-dioksan). Wartości stałych wyznaczono z wykorzystaniem metody miareczkowania potencjometrycznego przy stałej sile jonowej. Stwierdzono, iż stałe heterokoniugacji molekularnej w badanych mieszaninach rozpuszczalników są liniowo...
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Solvent Impact on the Diversity of Products in the Reaction of Lithium Diphenylphosphide and a Ti(III) Complex Supported by a tBu2P–P(SiMe3) Ligand
PublikacjaWe present two important trends in the reactivity ofthe titanium complex [MeNacNacTi(Cl){η2-P(SiMe3)-PtBu2}](MeNacNac− = [Ar]NC(Me)CHC(Me)N[Ar]; Ar = 2,6-iPr2Ph)with nucleophilic reagents RLi (R = Ph2P,tBuO, (Me3Si)2N, andtBu2N) depending on the reaction medium. Reaction in nonpolarsolvent (toluene) leads to three main products: via an autoredoxprocess and nucleophilic substitution at the Ti-atom to afford theTi(IV) complex [MeNacNacTi(R){η2-P-PtBu2}]...
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
PublikacjaHydroxymethylfurfural (HMF), furfural (FF), hydroquinone (HQ), and vanillin (VAN) are among the main inhibitors generated during most of biomass pre-treatments prior to fermentation processes. They are recognized as toxic to several fermentative microorganisms and therefore cause a decrease in biohydrogen or biofuel production (after hydrolysis). Moreover, if they are released into aqueous solutions (after fermentation), they can...
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Optimization of vortex-assisted supramolecular solvent-based liquid liquid microextraction for the determination of mercury in real water and food samples
PublikacjaA novel method was developed for sample preparation for spectrophotometric determination of Hg(II) in water and food samples. The method was based on vortex-assisted supramolecular solvent-assisted liquid-liquid microextraction (VA-SUPRASs-LLME). Analytical parameters such as pH, chelating agent, solvent type and volume, vortex time and salting out effect were optimized. Surface and normal probability plots were drawn for the variables...
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Comparative Study on Assisted Solvent Extraction Techniques for the Extraction of Biologically Active Compounds from Sideritis raeseri and Sideritis scardica
PublikacjaThe plants in the Sideritis genus are postulated to exhibit several important medicinal properties due to their unique chemical composition. To isolate the targeted phytochemical compounds, the selection of a suitable extraction method is of primary importance. In this work, a comparative study on the phytochemical profiles of various Sideritis raeseri and Sideritis scardica extracts has been carried out. An untargeted metabolomics...
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Deep eutectic solvent (DES) with silver nanoparticles (Ag-NPs) based assay for analysis of lead (II) in edible oils
PublikacjaThis paper presents an application of silver nanoparticles impregnated by Deep Eutectic Solvents (DES) as ultrasonication aided microextraction system for lead (II) determination in edible oils. The paper presents a systematic optimization of method parameters and examples of its application for analysis of real samples. Maximum recovery for lead (II) extraction was obtained for choline chloride and phenol with a 1:2 molar ratio....
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Electrochemical synthesis of 2D copper coordination-polymers: Layer-stacking deviation induced by the solvent and its effect on the adsorptive properties
PublikacjaA 2D Cu-based Metal-Organic Framework (MOF), namely copper-terephthalate (Cu(1,4-BDC)), was successfully synthesized by electrochemical method for effective methylene blue (MB) sorption from aqueous solutions. The composition, morphology, and the presence of functional groups in the obtained material were verified by Fourier Transform Infrared spectroscopy (FTIR), Powder X-Ray Diffraction (PXRD), Thermal (TGA), and Elemental (EA)...
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A Cu/Zn heterometallic complex with solvent-binding cavity, catalytic activity for the oxidation of 1-phenylethanol and unusual magnetic properties
PublikacjaMononuclear and polymeric complexes of zinc(II) and copper(II) have been synthesized using two isomers of the hemi-salen ligand with a different mutual orientation of donor atoms. The heterometallic Cu/Zn metallocycle features a catalytic niche filled with the molecule of water and molecules of methanol. This unusual compound exhibits both pronounced catalytic activity in the reaction of oxidation of a secondary alcohol to ketone...
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Organic Acids and Polyphenols Determination in Polish Wines by Ultrasound-Assisted Solvent Extraction of Porous Membrane-Packed Liquid Samples
PublikacjaIn the near future, Poland is going to have more and more favorable conditions for viticulture. Organic acids and polyphenols are among the most commonly analyzed compounds due to their beneficial properties for human health and their importance in the winemaking process. In this work, a new technique involving ultrasound-assisted solvent extraction of porous membrane-packed liquid samples (UASE-PMLS) was for the first time described...
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Explicit Size-Reduction-Oriented Design of a Compact Microstrip Rat-Race Coupler Using Surrogate-Based Optimization Methods
PublikacjaIn this paper, an explicit size reduction of a compact rat-race coupler implemented in a microstrip technology is considered. The coupler circuit features a simple topology with a densely arranged layout that exploits a combination of high- and low-impedance transmission line sections. All relevant dimensions of the structure are simultaneously optimized in order to explicitly reduce the coupler size while maintaining equal power...
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Fluorescence Lifetimes Study of α-Tocopherol and Biological Prenylquinols in Organic Solvents and Model Membranes
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Thermodynamic Characteristics of Phenacetin in Solid State and Saturated Solutions in Several Neat and Binary Solvents
PublikacjaThe thermodynamic properties of phenacetin in solid state and in saturated conditions in neat and binary solvents were characterized based on differential scanning calorimetry and spectroscopic solubility measurements. The temperature-related heat capacity values measured for both the solid and melt states were provided and used for precise determination of the values for ideal solubility, fusion thermodynamic functions, and...
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TiO2 Processed by pressurized hot solvents as a novel photocatalyst for photocatalytic reduction of carbon dioxide
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Superhydrophobic and superoleophilic melamine sponges impregnated with deep eutectic solvents for oil spill cleanup
PublikacjaThe extensive extraction of oil from the bottom of seas and oceans and its transportation by tankers increase the risk of potential environmental disasters associated with hydrocarbon fractions entering water reservoirs. Therefore, this paper presents the preparation of a simple impregnation of a melamine sponge with deep eutectic solvents (DES), which can be obtained from natural sources, including coconut oil, palm kernel oil,...
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Deep Eutectic Solvents or Eutectic Mixtures? Characterization of Tetrabutylammonium Bromide and Nonanoic Acid Mixtures
PublikacjaDeep eutectic solvents have quickly attracted the attention of researchers because they better meet the requirements of green chemistry and thus have the potential to replace conventional hazardous organic solvents in some areas. To better understand the nature of these mixtures, as well as expand the possibilities of their use in different industries, a detailed examination of their physical properties, such as density, viscosity,...
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Green monoterpenes based deep eutectic solvents for effective BTEX absorption from biogas
PublikacjaThe combustion of biogas which contains significant amounts of monoaromatic hydrocarbons, i.e. benzene, ethylbenzene, toluene, and xylene (BTEX) can cause many technological, environmental, and health problems. Therefore, in these studies, a new physical absorption method based on deep eutectic solvents (DES) consisting of monoterpenes and carboxylic acids was developed for BTEX removal. A total of 39 DES were synthesized, of which...
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Organic solvents aggregating and shaping structural folding of protein, a case study of the protease enzyme
PublikacjaLow solubility of reactants or products in aqueous solutions can result in the enzymatic catalytic reactions that can occur in non-aqueous solutions. In current study we investigated aqueous solutions containing different organic solvents / deep eutectic solvents (DESs) that can influence the protease enzyme's activity, structural, and thermal stabilities. Retroviral aspartic protease enzyme is responsible for the cleavage of the...
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Removal of Siloxanes from Model Biogas by Means of Deep Eutectic Solvents in Absorption Process
PublikacjaThe paper presents the screening of 20 deep eutectic solvents (DESs) composed of tetrapropylammonium bromide (TPABr) and glycols in various molar ratios, and 6 conventional solvents as absorbents for removal of siloxanes from model biogas stream. The screening was achieved using the conductor-like screening model for real solvents (COSMO-RS) based on the comparison of siloxane solubility in DESs. For the DES which was characterized...
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Solubility enhancement of metronidazole using natural deep eutectic solvents: Physicochemical and thermodynamic studies
PublikacjaThis research aimed to explore the utility of natural deep eutectic solvents (NADES) as the co-solvents for slightly water-soluble metronidazole (MNZ). After testing 70 wt% (percentage by weight) aqueous mixtures of seven NADESs, it was found that MNZ had the highest solubility in water solutions of NADES composed of choline chloride (ChCl) and citric acid (CA). The solubility of MNZ (expressed as 103 mol fraction) increased with...
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Determination of solvents residues in vegetable oils and pharmaceuticals by headspace analysis and capillary gas chromatography.
PublikacjaPrzedstawiono wyniki zastosowania techniki analizy fazy nadpowierzchniowej w połączeniu z kapilarną chromatografią gazową do oznaczania wybranych rozpuszczalników organicznych w próbkach olejów jadalnych i produktów farmaceutycznych. Oznaczane rozpuszczalniki to: benzen, toluen, heksan oraz chlorowcopochodne węglowodorów alifatycznych. Opracowaną procedurę poddano walidacji. Wyznaczono granicę wytrzymalności, oznaczalności, liniowość...
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Parallelisation of genetic algorithms for solving university timetabling problems
PublikacjaAlgorytmy genetyczne stanowią ważną metodę rozwiązywania problemów optymalizacyjnych. W artykule skupiono się na projekcie równoległego algorytmu genetycznego pozwalającego uzyskiwać uniwersyteckie rozkłady zajęć, spełniające zarówno twarde jak i miękkie ograniczenia. Czytelnika wprowadzono w niektóre znane sposoby zrównoleglenia, przedstawiono również podejście autorów, ykorzystujące MPI. Przyjęto strukturę zarządzania opartą...
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Krylov Space Iterative Solvers on Graphics Processing Units
PublikacjaCUDA architecture was introduced by Nvidia three years ago and since then there have been many promising publications demonstrating a huge potential of Graphics Processing Units (GPUs) in scientific computations. In this paper, we investigate the performance of iterative methods such as cg, minres, gmres, bicg that may be used to solve large sparse real and complex systems of equations arising in computational electromagnetics.
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Evolutionary approach to solving multi-ship encounter situations
PublikacjaW artykule wprowadzono nowe podejście do rozwiązywania sytuacji spotkań wielu statków poprzez połączenie założeń teorii gier z programowaniem ewolucyjnym. Spotkanie wielu statków jest zamodelowane jako gra rozgrywana przez ''myślących graczy'' - statki o różnych, potencjalnie zmiennych strategiach. Rozwiązanie - zbiór kooperujących (niekolidujących) trajektorii jest znajdowane za pomocą algorytmu ewolucyjnego.
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Crowdsourcing and Volunteer Computing as Distributed Approach for Problem Solving
PublikacjaIn this paper, a combination between volunteer computing and crowdsourcing is presented. Two paradigms of the web computing are described, analyzed and compared in detail: grid computing and volunteer computing. Characteristics of BOINC and its contribution to global Internet processing are shown with the stress put onto applications the system can facilitate and problems it can solve. An alternative instance of a grid computing...
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Solid Phase Microextraction: Apparatus, Sorbent Materials, and Application.
Publikacjahe primary objective of this review article is to strategically screen and highlight the advancements in the area of solid phase microextraction (SPME). The plenty of review articles have been written on different aspects of SPME, this review is dedicated to provide the brief but clear overview of the research footprints so produced from SPME. Some of the key advancements in types and designs, coating materials, coating strategies,...
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Investigation of oleophilic nature of straw sorbent conditioned in water.
PublikacjaPrzedyskutowany został potencjał absorpcyjny słomy jęczmiennej kondycjonowanej w wodzie. W odniesieniu do właściwości powierzchni zewnętrznej oraz wewnętrznej łodygi i liści zostały zmierzone kąty zwilżania dla wody i dekanu zarówno dla słomy suchej, jak i mokrej.
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Application of a novel deep eutectic solvent modified carbon nanotube for pipette-tip micro solid phase extraction of 6-mercaptopurine
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Solvation of cobalt(II) and trifluoromethanesulfonate ions in N,N-dimethylformamide-methanol mixed solvent studied by means of FT-IR spectroscopy
PublikacjaWidma FT-IR roztworów Co(CF3SO3)2-N,N-dimetyloformamid-metanol były analizowane w zakresie pasm CO i OH za pomocą metody widm różnicowych. Wyznaczono liczbę cząsteczek DMF i MeOH w pierwszej sferze solwatacji jonu Co(II) w zależności od składu rozpuszczalnika. Stwierdzono także obecność drugiej sfery solwatacji jonu Co(II) i scharakteryzowano ją ilościowo. Zbadano również solwatację jonu tifluorometanosulfonowego oraz asocjację...
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First deep eutectic solvent-based (DES) stationary phase for gas chromatography and future perspectives for DES application in separation techniques
PublikacjaThe paper presents the first application of deep eutectic solvents (DES) as stationary phases for gas chromatography. DES obtained by mixing tetrabutylammonium chloride (TBAC) as a hydrogen bond acceptor (HBA) with heptadecanoic acid being a hydrogen bond donor (HBD) in a mole ratio of HBA:HBD equal to 1:2 was characterized by its ability to separate volatile organic compounds (VOCs). The Rohrschneider – McReynolds constants determined...
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Quality control of cheese samples for the presence of natamycin preservative – A natural deep eutectic solvent (NADES) based extraction coupled with HPLC
PublikacjaA new protocol for the determination of natamycin – an antifungal agent used as a food preservative - in cheese samples – is described. This new method is based on a natural deep eutectic solvent (NADES) green extraction procedure. High-performance liquid chromatography (HPLC) was used for detection and quantification. NADESs with different molar ratios were evaluated for efficient and selective extraction. NADES made of thymol...
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Polychlorinated biphenyls (PCBs) and polychlorodibenzo-p-dioxins (PCDDs) determination in disposable baby diapers with the application of natural deep eutectic solvent
PublikacjaIn this work a new method involving solvent extraction of porous membrane-packed solid samples (SE-PMSS) coupled to gas chromatography-mass spectrometry (GC–MS) has been developed for the determination of six polychlorinated biphenyls (PCBs) and five polychlorodibenzo-p-dioxines (PCDDs) in disposable baby diapers. In that aim, a terpenoid-based natural deep eutectic solvent (NADES) composed of carvone and camphor in a 1:1 M ratio...
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Ultrasound-Assisted Solvent Extraction of a Porous Membrane Packed Sample for the Determination of Tobacco-Specific Nitrosamines in the Replacement Liquids for E-Cigarettes
PublikacjaThe content of tobacco-specific nitrosamines (TSNAs) possessing carcinogenic properties has been an important area of research since replacement liquids were introduced for e-cigarettes. A method for determining N′-nitrosonornicotine (NNN), 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK), N′-nitrosoanatabine (NAT), and N′-nitrosoanabasine (NAB) in replacement liquids for electronic cigarettes was developed using liquid chromatography–tandem...
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Determination of robenidine in animal feeds by liquid chromatography coupled with diode-array detection and mass spectrometry after accelerated solvent extraction
PublikacjaRobenidyna (chlorowodorek 1,3-bis[(4-chlorobenzylideno)amino]guanidyny) jest stosowana w celu zapobiegania i leczenia kokcydiozy - pasożytniczej choroby układu pokarmowego wielu zwierząt hodowlanych (kozy, owce, króliki, drób) wywoływanej przez pierwotniaki należące do rzędu Eimeria tenella, E. Necatrix, E. Acervulina, E. Maxima, E. Brunetti, and E. Mivati. Robenidyna wykazuje stosunkowo wysoką skuteczność terapeutyczną, przy niewielkiej...
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Application of Maximum Lenght Sequence in Silent Sonar
PublikacjaSilent sonars are designed to reduce the distance over which their sounding pulses can be detected by intercept sonars. In order to meet this objective, we can use periodical sounding signals that have low power, a very long duration and wide spectrum. If used in the silent sonar's receiver, matched filtration ensures very good detection of motionless or slow moving targets. However, it is more difficult to detect echo signals...
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Application of 3D flow solver in education of students
PublikacjaPrzedstawiono zastosowanie metod numerycznej mechaniki płynów w kształceniu studentów uczelni technicznej. Omówiono zastosowanie metod CFD jako narzędzia pomocnego w zrozumieniu zagadnień termodynamiczno-przepływowych stopni turbinowych, jak i w rozwiązywaniu zadań projektowych.
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Chlorinated solvents in a petrochemical wastewater treatment plant: Anassessment of their removal using self-organising maps
PublikacjaThe self-organising map approach was used to assess the efficiency of chlorinated solvent removal frompetrochemical wastewater in a refinery wastewater treatment plant. Chlorinated solvents and inorganicanions (11 variables) were determined in 72 wastewater samples, collected from three different purificationstreams. The classification of variables identified technical solvents, brine from oil desalting andrunoff sulphates as pollution...
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Chromatographic lipophilicity determination using large volume injections of the solvents non-miscible with the mobile phase
PublikacjaA new perspective in the lipophilicity evaluation through RP-HPLC is permitted by analysis of the retentionfactor (k) obtained by injecting large volumes of test samples prepared in solvents immiscible withmobile phase. The experiment is carried out on representative groups of compounds with increasedtoxicity (mycotoxins and alkaloids) and amines with important biological activity (naturally occurringmonoamine compounds and related...
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Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
PublikacjaThis study explores the edaravone solubility space encompassing both neat and binary dissolution media. Efforts were made to reveal the inherent concentration limits of common pure and mixed solvents. For this purpose, the published solubility data of the title drug were scrupulously inspected and cured, which made the dataset consistent and coherent. However, the lack of some important types of solvents in the collection called...
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Experimental and Theoretical Insights into the Intermolecular Interactions in Saturated Systems of Dapsone in Conventional and Deep Eutectic Solvents
PublikacjaSolubility is not only a crucial physicochemical property for laboratory practice but also provides valuable insight into the mechanism of saturated system organization, as a measure of the interplay between various intermolecular interactions. The importance of these data cannot be overstated, particularly when dealing with active pharmaceutical ingredients (APIs), such as dapsone. It is a commonly used anti-inflammatory and...
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Solubility of dapsone in deep eutectic solvents: Experimental analysis, molecular insights and machine learning predictions
PublikacjaBackground. Dapsone (DAP) is an anti-inflammatory and antimicrobial active pharmaceutical ingredient used to treat, e.g., AIDS-related diseases. However, low solubility is a feature hampering its efficient use. Objectives. First, deep eutectic solvents...
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Stability studies of selected polycyclic aromatic hydrocarbons in different organic solvents and identification of their transformation products
PublikacjaGłównym problemem w laboratoriach analitycznych jest konserwacja próbek i ekstraktów przeznaczonych do analizy. Rozpatrując procesy degradacji z analitycznego punktu widzenia i związanej z tym wiarygodności uzyskiwanych wyników pod uwagę należy wziąć wpływ procesów degradacji w badanym elemencie środowiska na poziom stężenia składników śladowych; wpływ tych samych procesów na poziom składników śladowych w już pobranych próbkach...