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Search results for: DESIGNER SOLVENTS
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Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublicationThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
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The application of single drop extraction technique for chromatographic determination of solvent residues in edible oils and pharmaceutical products
PublicationW pracy przedstawiono zalety i wady techniki ekstrakcji do pojedynczej kropli, będącą prostą i tanią alternatywą dla mikroekstrakcji do fazy stacjonarnej. Ponadto opisano dwie analityczne procedury do chromatograficznego oznaczania wybranych rozpuszczalników organicznych (heksanu, benzenu, toluenu oraz trichlorometanu, 1,1,1-trichloroetanu, tetrachlorometanu, trichloroetylenu, tetrachloroetenu)w olejach jadalnych i próbkach farmaceutycznych....
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GC-FID determination of C2-C4 aliphatic monocarboxylic acids in aqueous samples preceded by solvent extraction
PublicationEkstrakcja za pomocą eteru metylo-tert-butylowego (MTBE) została wykorzystana do izolacji krótkołańcuchowych alkanowych kwasów monokarboksylowych (2-4 atomy węgla w cząsteczce) z próbek o matrycy wodnej. Całkowita wydajność dwukrotnej ekstrakcji z próbek wodnych kwasów: octowego, propionowego i masłowego wynosiła odpowiednio ok. 55% , ok. 90% i ponad 90%. Wydajności ekstrakcji są porównywalne z wartościami uzyskiwanymi w przypadku...
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Sulfuric acid modified clinoptilolite as a solid green catalyst for solvent-free α-pinene isomerization process
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A concerted evolution of supramolecular interactions in a {cation; metal complex; π-acid; solvent} anion-π system
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Base-Catalyzed, Solvent-Free Synthesis of Rigid V-Shaped Epoxydibenzo[b,f][1,5]diazocines
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Finding the Right Solvent: A Novel Screening Protocol for Identifying Environmentally Friendly and Cost-Effective Options for Benzenesulfonamide
PublicationThis study investigated the solubility of benzenesulfonamide (BSA) as a model compound using experimental and computational methods. New experimental solubility data were collected in the solvents DMSO, DMF, 4FM, and their binary mixtures with water. The predictive model was constructed based on the best-performing regression models trained on available experimental data, and their hyperparameters were optimized using a newly...
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Multivariable optimization of ultrasound-assisted solvent extraction of bee pollen prior to its element analysis by FAAS
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Antioxidant potential of various solvent extract from Morus alba fruits and its major polyphenols composition
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Validation of SPME-GC and HS-GC procedures for the determination of selected solvent residues in edible oil matrices
PublicationW pracy przedstawiono przebieg procesu walidacji, przeprowadzonej zgodnie ze wskazaniami ICH (International Conference on Harmonization), procedur wykorzystywanych do oznaczania pozostałości wybranych rozpuszczalników w olejach jadalnych i preparatach farmaceutycznych. W celu izolacji i wzbogacania analitów wykorzystano dwie bezrozpuszczalnikowe techniki ekstrakcyjne: ekstrakcję do fazy nadpowierzchniowej (HS) i mikroekstrakcję...
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Merging Proline:Xylitol Eutectic Solvent in Crosslinked Chitosan Pervaporation Membranes for Enhanced Water Permeation in Dehydrating Ethanol
PublicationThe scope of this research aims at merging a new deep eutectic mixture (DES) into a biopolymer-based membrane for a pervaporation application in dehydrating ethanol. Herein, an L-proline:xylitol (at 5:1) eutectic mixture was successfully synthesized and blended with chitosan (CS). A complete characterization of the hybrid membranes, in terms of morphology, solvent uptake, and hydrophilicity, has been conducted. As part of their...
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A natural deep eutectic solvent - protonated L-proline-xylitol - based stationary phase for gas chromatography
PublicationThe paper presents a new kind of stationary phase for gas chromatography based on deep eutectic solvents (DES) in the form of a mixture of L-proline (protonated with hydrochloric acid) as a hydrogen bond acceptor (HBA) and xylitol as a hydrogen bond donor (HBD) in a molar ratio of HBA:HBD 5:1. DES immobilized on a silanized chromatographic support was tested by gas chromatography (GC) in order to determine its resolving power for...
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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublicationW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Solventless and solvent-minimized sample preparation techniques for determining currently used pesticides in water samples: A review
PublicationThe intensification of agriculture means that increasing amounts of toxic organic and inorganic compounds are entering the environment. The pesticides generally applied nowadays are regarded as some of the most dangerous contaminants of the environment. Their presence in the environment, especially in water, is hazardous because they cause human beings to become more susceptible to disease. For these reasons, it is essential to...
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Vibrational spectroscopic studies of N,N'-dimethylpropyleneurea-water system: Affected solvent spectra and factor analysis
PublicationZmierzono widma FT-IR układu N,N'-dimetylopropylenomocznik (DMPU) - woda w całym zakresie składów w zakresie 4000-500 cm-1 przy użyciu techniki całkowitego wewnętrznego odbicia (ATR). Hydratacja DMPU została dodatkowo zbadana przy pomocy transmisyjnej spektroskopii FT-IR izotopowo rozcieńczonej HDO w H2O. Widma zanalizowano przy użyciu ilościowej wersji metody widm różnicowych, prowadzącej do wyizolowania widma rozpuszczalnika...
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Application of multicriteria decision analysis in solvent type optimization for chlorophenols determination with a dispersive liquid–liquid microextraction
PublicationThis study presents a novel support tool for the optimization and development of analytical methods. The tool is based on multi-criteria decision analysis (MCDA), namely the Technique for Order of Preference by Similarity to the Ideal Solution (TOPSIS), that allows users to rank possible solutions according to their requirements. In this study, we performed rankings of pairs of eight extraction and three dispersive solvents used...
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Towards azeotropic MeOH-MTBE separation using pervaporation chitosan-based deep eutectic solvent membranes
PublicationDeep eutectic solvents (DESs) are a new class of solvents that can offset some of the major drawbacks of common solvents and ionic liquids. When dealing with the preparation of dense membranes, the use of DESs is still challenging due to their low compatibility with the polymer phase. In this research, a novel L-proline:sulfolane (molar ratio 1:2) DES was synthesized and used for the preparation of more sustainable bio-based membranes...
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Emissions and toxic units of solvent, monomer and additive residues released to gaseous phase from latex balloons
PublicationThis study describes the VOCs emissions from commercially available latex balloons. Nine compounds are determined to be emitted from 13 types of balloons of different colors and imprints in 30 and 60°C. The average values of total volatile organic compounds (TVOCs) emitted from studied samples ranged from 0.054 up to 7.18 μg∙g-1 and from 0.27 up to 36.13 μg∙g-1 for 30oC and 60oC, respectively. The dataset is treated with principal...
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Volatile Organohalogen Compounds Determination with Dispersive Liquid-Liquid Microextraction Applying Solvent Lighter than Water
PublicationBackground: 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...
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Thermodynamic properties of inorganic salts in nonaqueous solvents. III. Apparent molar volumes and compressibilities of divalent transition-metal chlorides in N,N-dimethylformamide
PublicationZmierzono gęstości i szybkości dźwięku dla roztworów chlorków dwuwartościowych metali przejściowych w N,N-dimetyloformamidzie. W oparciu o uzyskane wyniki wyznaczono pozorne objętości molowe, cząstkowe objętości molowe, rozszerzalności izobaryczne oraz ściśliwości adiabatyczne. Dokonano analizy oraz zbadano wpływ kompleksowania na wyznaczone wielkości.
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Exploration of the Solubility Hyperspace of Selected Active Pharmaceutical Ingredients in Choline- and Betaine-Based Deep Eutectic Solvents: Machine Learning Modeling and Experimental Validation
PublicationDeep eutectic solvents (DESs) are popular green media used for various industrial, pharmaceutical, and biomedical applications. However, the possible compositions of eutectic systems are so numerous that it is impossible to study all of them experimentally. To remedy this limitation, the solubility landscape of selected active pharmaceutical ingredients (APIs) in choline chloride- and betaine-based deep eutectic solvents was...
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Thermodynamic properties of inorganic salts in nonaqueous solvents. V. Apparent molar volumes and compressibilities of divalent transition metal bromides in N,N-dimethylformamide
PublicationZmierzono gęstości i szybkości rozchodzenia się dźwięku roztworów bromków dwuwartościowych metali przejściowych w N,N-dimetyloformamidzie. W oparciu o uzyskane parametry wyznaczono pozorne objętości i ściśliwości molowe. Dokonano analizy oraz zbadano wpływ kompleksowania na wyznaczone wielkości.
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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
PublicationThe 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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Monitoring of occupational exposure to volatile organohalogen solvents (VOXs) in human urine samples of dry-cleaner workers by TLHS-DAI-GC-ECD procedure
PublicationChlorinated hydrocarbon solvents are often used for dry-cleaning clothes in the laundry industry. The object of this study was to monitor the occupational exposure of dry-clean employees coming into contact with VOXs. 25 workers collected their urine samples before the work shift, after 4 hours of work and after the work shift. The analyses of urine samples and solvents used in dry-cleaning were performed using TLHS-DAI-GC-ECD....
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Thermodynamic properties of inorganic salts in nonaqueous solvents. I. Apparent molar volumes and compressibilities of divalent transition-metal perchlorates in N,N-dimethylformamide.
PublicationZmierzono gęstości i szybkość dźwięku dla roztworów nadchloranów dwuwartościowych metali przejściowych w N,N-dimetyloformamidzie. W oparciu o uzyskane wyniki wyznaczono pozorne objętości molowe, cząstkowe objętości molowe, rozszerzalności izobaryczne oraz ściśliwości adiabatyczne. Dokonano analizy oraz zbadano wpływ rodzaju kationu metalu.
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Green aspects of techniques for the determination of currently used pesticides in environmental samples
PublicationPesticides 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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The triple-sorbents solid-phase extraction for pharmaceuticals and estrogens determination in wastewater samples
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Three solvers for MIMO noise radar clutter cancellation - a performance comparison
PublicationThe problem of canceling strong clutter echos in a MIMO noise radar is considered. Execution times of three algorithms is compared. The first solution is a standard Least Squares approach employing Cholesky decomposition of the transmitted signal sample autocorrelation matrix. The second approach is based on careful waveform design which guarantees that the signal sample autocorrelation matrix has Toeplitz structure. This enables...
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Contactless hearing aid designed for infants
PublicationIt is a well known fact that language development through home intervention for a hearing-impaired infant should start in the early months of a newborn baby's life. The aim of this paper is to present a concept of a contactless digital hearing aid designed especially for infants. In contrast to all typical wearable hearing aid solutions (ITC, ITE, BTE), the proposed device is mounted in the infant's bed with any parts of its set-up...
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Hull strength assessment of the designed ships
PublicationPrzedstawiono metody i wyniki analizy wytrzymałości konstrukcji kadłubów czterech statków zaprojektowanych w ramach EUREKA Project E!2772: zbiornikowca, kontenerowca, Ro-Ro i statku rzeka-morze. Obliczenia wykonano według zaleceń i wymagań przepisów Det Norske Veritas.
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Solvation of cobalt(II) ion in N,N-dimethylformamide-methanol mixed solvent: calorimetry and VIS spectroscopy studies
PublicationZmierzono entalpie rozpuszczania trifluorometanosulfonianów Co(II) i Na(I) w mieszaninie N,N-dimetyloformamid(DMF)-metanol(MeOH) w całym zakresie jej składu. Z danych tych wyznaczono entalpie przeniesienia jonu Co(II) i jonu trifluorometanosulfonowego. Wyniki zanalizowano za pomocą teorii solwatacji preferencyjnej. Zmierzono również widma w zakresie widzialnym roztworów jonu Co(II) w mieszaninie DMF-MeOH i zanalizowano je, stosując...
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Fast, solvent-free synthesis of ferrocene-containing organic cages via dynamic covalent chemistry in the solid state
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Epoxydibenzo[b,f][1,5]diazocines: From a Hidden Structural Motif to an Efficient Solvent-Free Synthetic Protocol
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Effectiveness of various solvent-produced thyme (Thymus vulgaris) extracts in inhibiting the growth of Listeria monocytogenes in frozen vegetables
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Deep Eutectic Solvent Stir Bar Sorptive Extraction: A Rapid Microextraction Technique for the Determination of Vitamin D3 by Spectrophotometry
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Effect of Water Content in Ethylene Glycol Solvent on the Size of ZnO Nanoparticles Prepared Using Microwave Solvothermal Synthesis
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Deep eutectic solvent-based shaking-assisted extraction for determination of bioactive compounds from Norway spruce roots
PublicationPolyphenolic compounds play an essential role in plant growth, reproduction, and defense mechanisms against pathogens and environmental stresses. Extracting these compounds is the initial step in assessing phytochemical changes, where the choice of extraction method significantly influences the extracted analytes. However, due to environmental factors, analyzing numerous samples is necessary for statistically significant results,...
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Chemometric determination of solute-affected solvent vibrational spectra as a superior way of information extraction on solute solvation phenomena
PublicationW pracy zaprezentowano dwie chemometryczne metody wyznaczania widm zaburzonych rozpuszczalnika oraz liczby cząsteczek zaburzonych, na podstawie zmierzonych serii wibracyjnych widm FT-IR roztworów substancji. Pierwsza z metod została stworzona na podstawie Namiarowej Analizy Faktorowej (ang. Target Factor Analysis). Druga z nich wykorzystuje algorytm izolacji widm czystych składników z serii widm mieszanin. Działanie obu metod zostało...
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Morphology control via dual solvent crystallization for high-mobility functionalized pentacene-blend thin film transistors
PublicationWe present an approach to improving the performance of solution processed organic semiconductor transistors based on a dual solvent system. We here apply this to a blend containing the π-conjugated small molecule 6,13 bis(triisopropylsilylethynyl) pentacene (TIPS-pentacene) and polystyrene, which acts as an inert binder. Using a semiconductor-binder solution of two solvents, where the main solvent is a better solvent of the small...
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Application of ultrasound-assisted solvent extraction of porous membrane packed liquid samples for polyphenols determination in wine samples
PublicationPolyphenols play a crucial role in a proper human health maintenance as well as their presence very often correspond to the quality assessment of producs like wine. Thus, their monitoring is of high interest. However, as they occur in a complex matrices their extraction is very often necessary prior the analysis. Herein, a new ultrasound-assisted solvent extraction of porous membrane packed liquid sample technique has been optimized...
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Deep eutectic solvent based method for analysis of Niclosamide in pharmaceutical and wastewater samples – A green analytical chemistry approach
PublicationThe paper presents a simple, but very effective and sensitive spectrophotometric method for trace analysis of Niclosamide based on liquid–liquid microextraction using deep eutectic solvents (DESs) prior to its quantification. Here, different DES systems, such as Choline chloride (ChCl) + Urea, ChCl + Citric acid, ChCl + Ethylene glycol and ChCl + Phenol, were synthesized and evaluated at different molar ratios, selecting ChCl + Phenol...
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Unique agreement of experimental and computational infrared spectroscopy: a case study of lithium bromide solvation in an important electrochemical solvent
PublicationInfrared (IR) spectroscopy is a widely used and invaluable tool in the studies of solvation phenomena in electrolyte solutions. Using state-of-the-art chemometric analysis of a spectral series measured in a concentration-dependent manner, the spectrum of the solute-affected solvent can be extracted, providing a detailed view of the structural and energetic states of the solvent molecules influenced by the solute. Concurrently,...
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Development of headspace solid-phase microextraction-gas chromatography method for the determination of solvent residues in edible oils and pharmaceuticals
PublicationW pracy przedstawiono wyniki opracowania procedury oznaczania pozostałości rozpuszczalników organicznych w olejach jadalnych z wykorzystaniem techniki HS-SPME na etapie izolacji i wzbogacania analitów. Przedstawiono proces optymalizacji etapu izolacji i rozdzielenia związków. Dla każdego z analitów wyznaczono parametry walidacyjne charakteryzujące procedurę tj. granice wykrywalności, granicę oznaczalności, liniowość, zakres pomiarowy,...
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Spectrophotometric determination of chlorpyrifos in foodstuffs after vortex-assisted surfactant-enhanced emulsification microextraction using magnetic deep eutectic solvents: Analytical greenness profile
PublicationIn this work a novel and green vortex-assisted surfactant-enhanced emulsification microextraction (VA-SEEME) based on magnetic deep eutectic solvents (MDESs) was developed for the determination of chlorpyrifos in foodstuffs by UV-Vis spectrophotometric analysis. MDES (trihexyltetradecylphosphonium chloride: MnCl2: octanoic acid) was used as the extractant, non-ionic surfactant Tween-80 was used as an extraction medium, and ethanol...
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The Efficiency of P-Removal from Natural Waters with Sorbents Placed in Water Permeable Nonwovens
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Computational modeling of molecularly imprinted polymers as a green approach to the development of novel analytical sorbents
PublicationThe development of novel molecularly imprinted polymers (MIP) sorbents for specific chemical compounds require a lot of tedious and time-consuming laboratory work. Significant quantities of solvents and reagents are consumed in the course of the verification of appropriate configurations of polymerization reagents. Implementation of molecular modeling in the MIP sorbent development process appears to provide a solution to this...
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DESIGN, DESIGN PROCESS AND ARCHITECT’S POSITION
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GPU Acceleration of Multilevel Solvers for Analysis of Microwave Components With Finite Element Method
PublicationThe letter discusses a fast implementation of the conjugate gradient iterative method with ${rm E}$-field multilevel preconditioner applied to solving real symmetric and sparse systems obtained with vector finite element method. In order to accelerate computations, a graphics processing unit (GPU) was used and significant speed-up (2.61 fold) was achieved comparing to a central processing unit (CPU) based approach. These results...
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Removal of phenolic inhibitor compounds from hydrolysates and post-fermentation broths by using a Hydrophobic Magnetic Deep Eutectic Solvent
PublicationHydroxymethylfurfural (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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Molecular Heteroconjugation Equilibria in (n-Butylamine + Acetic Acid) Systems in Binary (Dimethyl Sulfoxide + 1,4-Dioxane) Solvent Mixtures
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