Search results for "SOLVENT"

showing 10 items of 1395 documents

Silymarin compounds: Chemistry, innovative extraction techniques and synthesis

2020

Abstract Silymarin complex consisting of four flavonolignans (silychristin, silydianin, silibinin and taxifolin) has been used from ancient times in both traditional European and Asian medicine for liver disorders treatment. Moreover, over the last years, the anticancer activity of these compounds against various types of cancer cells (e.g., breast, skin, colon, cervix, ovary, prostate, lung and hepatocellular cancers, among others) has been demonstrated. Therefore, at this stage of development, food and pharmaceutical interest have shown an increased interested in the recovery of these molecules. Conventional solvent extraction has been traditionally used to recover silymarin complex from …

Flavonolignanschemistry.chemical_compoundchemistryTraditional medicineExtraction (chemistry)FlavonolignanSilibininTaxifolinSolvent extractionQuantitative determinationHepatocellular Cancers
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Feasibility and application of solvent assisted flavour evaporation and standard addition method to quantify the aroma compounds in flavoured baked m…

2006

International audience; In order to determine the feasibility of the solvent assisted flavour evaporation extraction (SAFE) technique and the standard addition method to quantify the aroma compounds retained in baked matrices after processing, three doughs that mainly vary in one ingredient, M1 (with eggs and palm oil), M2 (without eggs but with palm oil) and M3 (without eggs and without palm oil) were flavoured with an aromatic formulation of 19 different aroma compounds in propylene glycol that is responsible for a viennoiserie aromatic note. From the 19 aroma compounds added, 12 of them were quantified, so was also the propylene glycol. After the application of standard addition method 3…

FlavourEvaporation01 natural sciencesAnalytical ChemistryIngredientSOLVENT ASSISTED FLAVOUR EVAPORATION TECHNIQUE0404 agricultural biotechnology[SDV.IDA]Life Sciences [q-bio]/Food engineeringFLAVOURED BAKED MATRICESFlavorAromaAROMA RETENTIONChromatographybiologyChemistry010401 analytical chemistryExtraction (chemistry)04 agricultural and veterinary sciencesGeneral Medicine[SDV.IDA] Life Sciences [q-bio]/Food engineeringbiology.organism_classification040401 food science0104 chemical sciencesSolventSTANDARD ADDITION METHODStandard additionFood Science
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Flecainide acetate acetic acid solvates.

2011

Flecainide acetate forms acetic acid solvates with 0.5 and 2 acetic acid molecules. Powder X-ray diffraction, differential thermal analysis/thermogravimetric, infrared, and potentiometric titration were used to determine the composition of solvates. Flecainide acetate hemisolvate with acetic acid decomposes to form a new crystalline form of flecainide acetate. This form is less stable than the already known polymorphic form at all temperatures, and it is formed due to kinetic reasons. Both flecainide acetate nonsolvated and flecainide acetate hemisolvate forms crystallize in monoclinic crystals, but flecainide triacetate forms triclinic crystals. Solvate formation was not observed when flec…

FlecainideSpectrophotometry InfraredChemistryFormic acidPotentiometric titrationPharmaceutical ScienceFlecainide AcetateMedicinal chemistryAcetic acidchemistry.chemical_compoundPropanoic acidPolymorphism (materials science)SolubilityX-Ray DiffractionThermogravimetrymedicinePotentiometrySolventsOrganic chemistryCrystallizationFlecainideAnti-Arrhythmia Agentsmedicine.drugMonoclinic crystal systemAcetic AcidJournal of pharmaceutical sciences
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Estimation of formamide harmonic and anharmonic modes in the Kohn-Sham limit using the polarization consistent basis sets.

2010

Formamide harmonic and anharmonic frequencies of fundamental vibrations in the gas phase and in several solvents were successfully estimated in the B3LYP Kohn-Sham complete basis set limit (KS CBS). CBS results were obtained by extrapolating a power function (two-parameter formula) to the results calculated with polarization-consistent basis sets. Anharmonic corrections using the second order perturbation treatment (PT2) and hybrid B3LYP functional combined with polarization consistent pc-n (n = 0, 1, 2, 3, 4) and several Pople’s basis sets were analyzed for all fundamental formamide vibrational modes in the gas phase and solution. Solvent effects were modeled within a PCM method. The anhar…

FormamideAcetonitrilesMolecular ConformationAnharmonic vibrationSolvent effectMolecular physicsCatalysisInorganic ChemistryAcetonechemistry.chemical_compoundComputational chemistryScissoringHexanesComputer SimulationDimethyl SulfoxideHarmonic vibrationPhysical and Theoretical ChemistryPhysics::Chemical PhysicsCarbon TetrachlorideBasis setQuantitative Biology::BiomoleculesOriginal PaperFormamidesOrganic ChemistryAnharmonicityWaterComplete basis set limitFormamideComputer Science ApplicationsComputational Theory and MathematicschemistryModels ChemicalMolecular vibrationHarmonicSolventsThermodynamicsFermi resonanceChloroformGasesSolvent effectsJournal of molecular modeling
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The mechanism of formamide hydrolysis in water from ab initio calculations and simulations.

2005

The neutral hydrolysis of formamide in water is a suitable reference to quantify the efficiency of proteolytic enzymes. However, experimental data for this reaction has only very recently been obtained and the kinetic constant determined experimentally is significantly higher than that predicted by previous theoretical estimations. In this work, we have investigated in detail the possible mechanisms of this reaction. Several solvent models have been considered that represent a considerable improvement on those used in previous studies. Density functional and ab initio calculations have been carried out on a system which explicitly includes the first solvation shell of the formamide molecule…

FormamideModels MolecularReaction mechanismFormamidesMolecular StructureReaction stepHydrolysisOrganic ChemistryProteolytic enzymesHydrogen BondingGeneral ChemistryReaction intermediateCrystallography X-RayCatalysischemistry.chemical_compoundSolvation shellchemistrySolvent modelsAb initio quantum chemistry methodsComputational chemistryThermodynamicsComputer SimulationChemistry (Weinheim an der Bergstrasse, Germany)
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Organic fractal nano-dimensional structures based on fullerene C60

2019

The ways for a synthesis of nanoporous and close-packed types of fullerene C60 aggregates in two-component organic solvents (toluene + tetrahydrofuran) were established as well as their structural ...

FullereneMaterials scienceAtomic force microscopyNanoporousOrganic Chemistry02 engineering and technology010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesAtomic and Molecular Physics and Optics0104 chemical sciencesSolventFractalChemical engineeringNano-General Materials SciencePhysical and Theoretical Chemistry0210 nano-technologyFullerenes, Nanotubes and Carbon Nanostructures
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Non-conventional methods and media for the activation and manipulation of carbon nanoforms

2013

Very often, chemical transformations require tedious and long procedures, which, sometimes, can be avoided using alternative methods and media. New protocols, enabling us to save time and solvents, allow us also to explore new reaction profiles. This Tutorial Review focuses on the physical and chemical behavior of carbon nanoforms, CNFs (fullerenes, nanotubes, nanohorns, graphene, etc.) when non-conventional methods and techniques, such as microwave irradiation, mechano-chemistry or highly ionizing radiations are employed. In addition, the reactivity of CNFs in non-conventional media such as water, fluorinated solvents, supercritical fluids, or ionic liquids is also discussed.

FullereneNanotubes Nanohorns Synthesis Microwave chemistry Ionic Liquidschemistry.chemical_elementIonic LiquidsNanotechnologylaw.inventionchemistry.chemical_compoundlawReactivity (chemistry)MicrowavesAlternative methodsGrapheneNanotubes Carboncarbon nanoforms non-conventional techniquesnon-conventional techniquesWaterGeneral ChemistrySettore CHIM/06 - Chimica OrganicaSupercritical fluidCarbonNanostructureschemistryGamma RaysIonic liquidMicrowave irradiationSolventsGraphitecarbon nanoformsCarbon
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The Preparation and Characterization of New Antazoline Salts with Dicarboxylic Acids

2015

New antazoline salts with organic acids (fumaric acid, oxalic acid, and maleic acid) were prepared. The effect of the crystallization solvent and mechanochemical treatment on the crystalline forms of these salts was studied. Two polymorphs of antazoline hydrogen maleate were identified and their relative stability was determined. The molecular structures of antazoline hydrogen oxalate and antazoline hydrogen maleate showed differences in antazoline cation conformation. In crystal structures of all salts both imidazoline nitrogens of antazoline cation are involved in hydrogen bond formation with carboxyl groups of the acid.

Fumaric acidMaleic acidHydrogen bondOxalic acidGeneral ChemistryCondensed Matter PhysicsOxalateSolventchemistry.chemical_compoundchemistryPolymorphism (materials science)Polymer chemistryAntazolinemedicineOrganic chemistryGeneral Materials Sciencemedicine.drugMolecular Crystals and Liquid Crystals
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Ultra-High-Performance Liquid Chromatography Coupled with Quadrupole Orbitrap High-Resolution Mass Spectrometry for Multi-Residue Analysis of Mycotox…

2020

Cannabidiol (CBD) food supplements made of Cannabis sativa L. extracts have quickly become popular products due to their health-promoting effects. However, potential contaminants, such as mycotoxins and pesticides, can be coextracted during the manufacturing process and placed into the final product. Accordingly, a novel methodology using ultra-high-performance liquid chromatography coupled with quadrupole Orbitrap high-resolution mass spectrometry (UHPLC-Q-Orbitrap HRMS) was developed to quantify 16 mycotoxins produced by major C. sativa fungi, followed by a post-target screening of 283 pesticides based on a comprehensive spectral library. The validated procedure was applied to ten CBD-bas…

FusariumPiperonyl butoxideHealth Toxicology and Mutagenesislcsh:MedicineToxicologyMass spectrometryOrbitrapSensitivity and Specificity01 natural sciencesMass SpectrometryArticlelaw.inventionQ-Exactive Orbitrapchemistry.chemical_compound0404 agricultural biotechnologylawCannabidiolMycotoxinZearalenoneChromatography High Pressure LiquidCannabisMycotoxinChromatographybiologyChemistrylcsh:R010401 analytical chemistryPesticide ResiduesReproducibility of Resultspesticides04 agricultural and veterinary sciencesMycotoxinsCBD capsulePesticidebiology.organism_classification040401 food science0104 chemical sciencesPesticideDietary SupplementsSolventsNutraceuticalEnniatinToxins
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Dynamics of myoglobin in confinement: An elastic and quasi-elastic neutron scattering study

2008

In order to clarify the role of hard confinement on protein dynamics, elastic and quasi-elastic neutron scattering experiments have been performed on ferric horse myoglobin in two different systems: the protein embedded in a porous silica matrix, and the corresponding hydrated protein powder. Elastic data have been analysed using two different models (dynamical heterogeneity and anharmonic double-well potential) that take into account deviations of elastic intensity from Gaussian behaviour. The profile of quasi-elastic spectra has been approximated by a combination of Lorentzian and Gaussian components. Comparison between the data relative to the two different samples indicates that geometr…

GLASS-TRANSITIONGaussianGeneral Physics and AstronomyHydrationNeutron scatteringSol–gelMYELIN BASIC-PROTEINMolecular physicsSpectral linesymbols.namesakechemistry.chemical_compoundDynamical heterogeneityPhysical and Theoretical ChemistryPorosityHEMOGLOBINSOLVENTQuantitative Biology::BiomoleculesProtein dynamicsAnharmonicitySolvent dynamicCrystallographyMyoglobinchemistrysymbolsProtein dynamicSilica hydrogels
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