Search results for " Differential Scanning"

showing 10 items of 77 documents

Structural, Thermoanalytical and Molecular Modeling Studies on N-(3-hydroxypropyl) 3a,12a-Dihydroxy-5b-cholan-24-amide and Its Monohydrates

2007

The synthetic method for preparing N-(3-hydroxypropyl) 3 alpha,12 alpha-dihydroxy-5 beta-cholan-24-amide can lead to formation of at least three different crystal forms - an anhydrous compound and two monohydrates. The structural and thermal properties of these forms have been characterized by 13C-CP/MAS-NMR and IR spectroscopy, thermo- gravimetry, differential scanning calorimetry and by powder and single crystal x-ray crystallography. In addition, theoretical 13C-NMR chemical shift calculations were also performed for the anhydrous compound and for the first monohydrate, starting from single crystal structures and the structures of these species have now been verified. The first monohydra…

Models MolecularMagnetic Resonance Spectroscopysolid state structure.termoanalyysiPharmaceutical ScienceInfrared spectroscopy13C-CP/MAS-NMR spectroscopy13C-CP/MAS-NMR spektroskopiaFull Research PaperAnalytical ChemistryCrystallcsh:QD241-441Differential scanning calorimetrylcsh:Organic chemistryX-Ray DiffractionDrug Discoverykiinteän tilan rakenneSolid state structurePhysical and Theoretical ChemistrycrystallographyCarbon Isotopeskristallografiathermal Bile acidsCalorimetry Differential ScanningChemistryHydrogen bondOrganic ChemistryTemperatureWaterHydrogen BondingkidetiedeAmidesBile acidsCrystallographysappihapotChemistry (miscellaneous)X-ray crystallographyThermogravimetryAnhydrousCholanesMolecular MedicineOrthorhombic crystal systemSingle crystalthermal analysis
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Evaluation of drug-polymer solubility curves through formal statistical analysis: comparison of preparation techniques.

2014

ABSTRACT: In this study, the influence of the preparation technique (ball milling, spray drying, and film casting) of a supersaturated amorphous dispersion on the quality of solubility determinations of indomethacin in polyvinylpyrrolidone was investigated by means of statistical analysis. After annealing of the amorphous dispersions above the crystallization temperature for 2 h, the solubility curve was derived from the glass transition temperature of the demixed material using the Gordon–Taylor relationship and fitting with the Flory–Huggins model. The study showed that the predicted solubility from the ball-milled mixtures was not consistent with those from spray drying and film casting,…

Models MolecularMaterials scienceHot TemperatureChemistry PharmaceuticalDrug CompoundingIndomethacinAnalytical chemistryPharmaceutical SciencemedicinePharmaceutic AidsSolubilitySupersaturationReproducibilityPolyvinylpyrrolidoneCalorimetry Differential ScanningAnti-Inflammatory Agents Non-SteroidalPovidoneReproducibility of ResultsCastingAmorphous solidChemical engineeringSolubilitySpray dryingEmulsionsGlass transitionPowder Diffractionmedicine.drugJournal of pharmaceutical sciences
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Binding Properties of HABA-Type Azo Derivatives to Avidin and Avidin-Related Protein 4

2006

Summary The chicken genome encodes several biotin-binding proteins, including avidin and avidin-related protein 4 (AVR4). In addition to D -biotin, avidin binds an azo dye compound, 4-hydroxyazobenzene-2-carboxylic acid (HABA), but the HABA-binding properties of AVR4 are not yet known. Differential scanning calorimetry, UV/visible spectroscopy, and molecular modeling were used to analyze the binding of 15 azo molecules to avidin and AVR4. Significant differences are seen in azo compound preferences for the two proteins, emphasizing the importance of the loop between strands β3 and β4 for azo ligand recognition; information on these loops is provided by the high-resolution (1.5 A) X-ray stru…

Models MolecularMolecular modelOvalbuminProtein ConformationClinical BiochemistryCrystallography X-RayLigandsSensitivity and SpecificityBiochemistryAvian Proteinschemistry.chemical_compoundUltraviolet visible spectroscopyBiotinDrug DiscoveryAnimalsMolecular BiologyGlycoproteinschemistry.chemical_classificationPharmacologyAzo compoundBinding SitesbiologyCalorimetry Differential ScanningMolecular StructureStereoisomerismGeneral MedicineLigand (biochemistry)AvidinCombinatorial chemistryCHEMBIOchemistryBiochemistryBiotinylationbiology.proteinMolecular MedicineSpectrophotometry UltravioletGlycoproteinAzo CompoundsChickensAvidinChemistry & Biology
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Jararhagin-derived RKKH Peptides Induce Structural Changes in α1I Domain of Human Integrin α1β1

2003

Integrin alpha(1)beta(1) is one of four collagen-binding integrins in humans. Collagens bind to the alphaI domain and in the case of alpha(2)I collagen binding is competitively inhibited by peptides containing the RKKH sequence and derived from the metalloproteinase jararhagin of snake venom from Bothrops jararaca. In alpha(2)I, these peptides bind near the metal ion-dependent adhesion site (MIDAS), where a collagen (I)-like peptide is known to bind; magnesium is required for binding. Published structures of the ligand-bound "open" conformation of alpha(2)I differs significantly from the "closed" conformation seen in the structure of apo-alpha(2)I near MIDAS. Here we show that two peptides,…

Models MolecularProtein ConformationStereochemistryIntegrinAlpha (ethology)PeptideCrystallography X-RayBinding CompetitiveBiochemistryCollagen Type IProtein Structure SecondaryIntegrin alpha1beta1Protein structureCrotalid VenomsHumansMagnesiumAmino Acid SequenceBinding siteMolecular BiologyPeptide sequenceFluorescent Dyeschemistry.chemical_classificationBinding SitesCalorimetry Differential ScanningMolecular StructurebiologyMetalloendopeptidasesCell BiologyPeptide FragmentsRecombinant ProteinsSpectrometry FluorescencechemistryJararhaginHelixbiology.proteinCrystallizationJournal of Biological Chemistry
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Syntheses and structural study of bile acid amidoalcohols.

2008

Preparation, structural and thermoanalytical characterization of fourteen N-hydroxyalkyl 5beta-cholan-24-amides have been performed in this study. The utilized techniques include liquid state and CP-MAS 13C NMR spectroscopy, thermogravimetry, differential scanning calorimetry, and also powder and single crystal X-ray crystallography. The results were discussed and compared to each other and also to previous findings on similar compounds. One pure hydrate form was obtained. Six new single crystal structures were determined, including one hydrated chloroform solvate. Decomposition temperatures were found to correlate with the side chain length, and the number of the hydroxyl groups. The spati…

Models MolecularSpectrometry Mass Electrospray IonizationMagnetic Resonance SpectroscopyClinical BiochemistryCalorimetryCrystallography X-RayBiochemistryBile Acids and Saltschemistry.chemical_compoundEndocrinologyDifferential scanning calorimetrySide chainMolecular BiologyPharmacologyChloroformCalorimetry Differential ScanningMolecular StructureChemistryOrganic ChemistryNuclear magnetic resonance spectroscopyAmidesThermogravimetryCrystallographyAlcoholsHydrateSingle crystalSteroids
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Calorimetric Behavior of Phosphatidylcholine/Phosphatidylethanolamine Bilayers is Compatible with the Superlattice Model

2012

Differential scanning calorimetry was used to study the phase behavior of binary lipid bilayers consisting of phosphatidylcholine (PC) and phosphatidylethanolamine (PE) of varying acyl chain length. A two-state transition model was used to resolve the individual transition components, and the two-state transition enthalpy, the relative enthalpy, and the transition temperature of each component were plotted as a function of composition. Intriguingly, abrupt changes in these thermodynamic parameters were observed at or close to many "critical" X(PE) values predicted by the superlattice model proposing that phospholipids with different headgroups tend to adopt regular rather than random latera…

Models MolecularSuperlatticeLipid BilayersEnthalpyAnalytical chemistryThermodynamics02 engineering and technologyCalorimetryArticle03 medical and health scienceschemistry.chemical_compoundDifferential scanning calorimetryPhase (matter)PhosphatidylcholineMaterials ChemistryTransition TemperaturePhysical and Theoretical ChemistryLipid bilayer030304 developmental biologyPhysics::Biological Physics0303 health sciencesCalorimetry Differential ScanningChemistryPhosphatidylethanolaminesTransition temperature021001 nanoscience & nanotechnologySurfaces Coatings and FilmsPhosphatidylcholinesThermodynamics0210 nano-technologyThe Journal of Physical Chemistry B
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Improved scalable syntheses of mono- and bis-urethane derivatives of ornithine.

2001

In the search for a practical route to ornithine bisurethane derivatives useful for peptide synthesis, we elaborated the simple and efficient (86% yield) synthesis of N(epsilon)-tert-butoxycarbonyl-L-ornithine copper(II) complex (1). This served as substrate for obtaining N(epsilon)-tert-butoxycarbonyl-L-ornithine (2), N(alpha)-benzyloxycarbonyl-N(epsilon)-tert-butoxycarbonyl-L-ornithine (3) and N(alpha)-(9-fluorenyl)methoxycarbonyl-N(epsilon)-tert-butoxycarbonyl-L-ornithine (4). These were synthesized in 94-95% yields and with a purity above 99%.

OrnithineCalorimetry Differential ScanningChemistrychemistry.chemical_elementSubstrate (chemistry)General ChemistryGeneral MedicineOrnithineChemical synthesisCopperUrethanechemistry.chemical_compoundYield (chemistry)One pot reactionDrug DiscoveryPeptide synthesisOrganic chemistryIndicators and ReagentsProtecting groupChromatography High Pressure LiquidCopperChemicalpharmaceutical bulletin
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Influence of poloxamers on the dissolution performance and stability of controlled-release formulations containing Precirol® ATO 5

2005

Abstract Lipid excipients are usually used for the development of sustained-release formulations. When used in relatively high quantities, Precirol ® ATO 5 imparts sustained-release properties to solid oral dosage forms, by forming a lipid matrix. To control or adjust the drug release kinetics from such lipid matrix however, one must often resort to complementary ingredients or techniques. This study investigates the influence of poloxamers (Lutrol ® ) included in lipid matrices composed of glyceryl palmitostearate (Precirol ® ATO 5) on their dissolution performance and their stability. The addition of these hydrophilic polymers in the lipid matrix increased the amount of theophylline relea…

Pharmaceutical ScienceExcipientPoloxamerMolding (process)In Vitro TechniquesDosage formDiglyceridesExcipientsDrug StabilityTheophyllinemedicineTechnology PharmaceuticalTheophyllineDissolutionChromatographyCalorimetry Differential ScanningViscosityChemistryWaterPoloxamerControlled releaseKineticsMicroscopy ElectronModels ChemicalSolubilityDelayed-Action PreparationsSwellingmedicine.symptomRheologyPorositymedicine.drugInternational Journal of Pharmaceutics
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Modelling phase transition kinetics of chenodeoxycholic acid with the Runge–Kutta method

2009

Abstract The phase transition kinetics of two chenodeoxycholic acid polymorphic modifications— form I (stable at high temperature), form III (stable at low temperature) and the amorphous phase has been examined under various conditions of temperature and relative humidity. Form III conversion to form I was examined at high temperature conditions and was found to be non-spontaneous, requiring seed crystals for initiation. The formation kinetic model of form I was created incorporating the three-dimensional seed crystal growth, the phase transition rate proportion to the surface area of form I crystals, and the influence of the amorphous phase surface area changes with an empirical stage poin…

Phase transitionDifferential Thermal AnalysisSpectrophotometry InfraredDifferential equationClinical BiochemistryPharmaceutical ScienceThermodynamicsChenodeoxycholic AcidKinetic energyPhase TransitionAnalytical ChemistryReaction rate constantDrug StabilityX-Ray DiffractionDrug DiscoverySample preparationSpectroscopySeed crystalModels StatisticalCalorimetry Differential ScanningChemistryTemperatureKineticsRunge–Kutta methodsCrystallographyX-ray crystallographyCrystallizationJournal of Pharmaceutical and Biomedical Analysis
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Protection of active aroma compound against moisture and oxygen by encapsulation in biopolymeric emulsion-based edible films.

2008

International audience; Edible films made of ι-carrageenans display interesting advantages: good mechanical properties, stabilization of emulsions, and reduction of oxygen transfers. Moreover, the addition of lipids to ι-carrageenan-based films to form emulsified films decreases the transfer of water vapor and can be considered to encapsulate active molecules as flavors. The aim of this study was to better understand the influence of the composition and the structure of the carrageenan-based film matrices on its barrier properties and thus on its capacity to encapsulate and to protect active substances encapsulated. Granulometry, differential scanning calorimetry, and Fourier transform infr…

Polymers and PlasticsBioengineeringCarrageenanHexanalHydrocarbons AromaticPermeabilityBiomaterialschemistry.chemical_compoundOxygen permeabilityDifferential scanning calorimetryBiopolymersSpectroscopy Fourier Transform InfraredMaterials ChemistryAroma compoundOrganic chemistry[SPI.GPROC]Engineering Sciences [physics]/Chemical and Process EngineeringFourier transform infrared spectroscopyFlavorAldehydesCalorimetry Differential ScanningFood PackagingWaterCarrageenanOxygenchemistryChemical engineeringEmulsionEmulsionsVolatilizationBiomacromolecules
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