Search results for "ddc:540"

showing 10 items of 212 documents

Dihydroisocoumarins, Naphthalenes, and Further Polyketides from Aloe vera and A. plicatilis: Isolation, Identification and Their 5-LOX/COX-1 Inhibiti…

2021

The present study aims at the isolation and identification of diverse phenolic polyketides from Aloe vera (L.) Burm.f. and Aloe plicatilis (L.) Miller and includes their 5-LOX/COX-1 inhibiting potency. After initial Sephadex-LH20 gel filtration and combined silica gel 60- and RP18-CC, three dihydroisocoumarins (nonaketides), four 5-methyl-8-C-glucosylchromones (heptaketides) from A. vera, and two hexaketide-naphthalenes from A. plicatilis have been isolated by means of HSCCC. The structures of all polyketides were elucidated by ESI-MS and 2D 1H/13C-NMR (HMQC, HMBC) techniques. The analytical/preparative separation of 3R-feralolide, 3′-O-β-d-glucopyranosyl- and the new 6-O-β-d-glucopyranosyl…

StereochemistrySize-exclusion chromatographydihydroisocoumarinsPharmaceutical ScienceAloinOrganic chemistry01 natural sciencesAloe emodin<i>Aloe plicatilis</i>Aloe veraAnalytical Chemistrychemistry.chemical_compoundQD241-441Drug DiscoveryStructural isomermedicinePotencyPhysical and Theoretical ChemistryAloe plicatilisanti-inflammatory activitynaphthalenesbiology<i>Aloe vera</i>010405 organic chemistryChemistrybiology.organism_classificationIn vitroCOX-1/5-LOX0104 chemical sciences010404 medicinal & biomolecular chemistryAloe vera; Aloe plicatilis; dihydroisocoumarins; naphthalenes; polyketides; anti-inflammatory activity; COX-1/5-LOXChemistry (miscellaneous)ddc:540Molecular Medicinemedicine.drugpolyketidesMolecules
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Cooperative effects on the HS→LS relaxation in the [Fe(ptz)6](BF4)2 spin-crossover system

1992

Abstract The high-spin to low-spin (HS→LS) relaxation in the [Fe(ptz) 6 ](BF 4 ) 2 spin-crossover system deviates strongly from first-order kinetics because of cooperative effects of elastic origin. The shift in horizontal and vertical displacement of the potential wells of the initial and final state relative to each other due to the build-up of an “internal” pressure is estimated from spectroscopic measurements. The HS→LS relaxation as such is described by the theory of nonadiabatic multiphonon relaxation in the strong-coupling limit, with a Huang—Rhys factor S ≈ 45 which is much larger than the reduced energy gap p . The sigmoidal relaxation curves in [Fe(ptz) 6 ](BF 4 ) 2 result when a …

StereochemistrySpin crossoverBand gapChemistryddc:540KineticsGeneral Physics and AstronomyRelaxation (physics)Physical and Theoretical ChemistryMolecular physicsLIESSTDisplacement (vector)Chemical Physics Letters
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Structural Basis and Enzymatic Mechanism of the Biosynthesis of C9- from C10-Monoterpenoid Indole Alkaloids

2009

Cutting carbons: The three-dimensional structure of polyneuridine aldehyde esterase (PNAE) gives insight into the enzymatic mechanism of the biosynthesis of C(9)- from C(10)-monoterpenoid indole alkaloids (see scheme). PNAE is a very substrate-specific serine esterase. It harbors the catalytic triad S87-D216-H244, and is a new member of the alpha/beta-fold hydrolase superfamily. Its novel function leads to the diversification of alkaloid structures.

Stereochemistrychemistry [Secologanin Tryptamine Alkaloids]polyneuridine aldehyde esterasePolyneuridine-aldehyde esteraseCatalysisSubstrate SpecificityEnzyme catalysischemistry.chemical_compoundProtein structureBiosynthesisHydrolaseCatalytic triadmetabolism [Mutant Proteins]Indole testchemistry.chemical_classificationGeneral ChemistrySecologanin Tryptamine AlkaloidsProtein Structure Tertiarymetabolism [Carboxylic Ester Hydrolases]metabolism [Secologanin Tryptamine Alkaloids]EnzymeAmino Acid SubstitutionchemistryBiochemistryddc:540BiocatalysisMutant ProteinsCarboxylic Ester HydrolasesAngewandte Chemie International Edition
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Stacking of Sterically Congested Trifluoromethylated Aromatics in their Crystals – The Role of Weak F···π or F···F Contacts

2020

European journal of organic chemistry : EurJOC 2020(38), 6073-6077 (2020). doi:10.1002/ejoc.202001008

Steric effectsaromaattiset yhdisteetChemistryOrganic ChemistryStackingstacking interactionskiteet540fluoriCrystallographyddc:540solid-state structurescrystalssupramolekulaarinen kemiafluorinated compoundsPhysical and Theoretical Chemistryröntgenkristallografiatrifluoromethyl substituents
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Correction: Surface induced smectic order in ionic liquids – an X-ray reflectivity study of [C22C1im]+[NTf2]−

2018

Physical chemistry, chemical physics 20(37), 24494 - 24495 (2018). doi:10.1039/C8CP91851A

Surface (mathematics)Materials scienceGeneral Physics and AstronomyThermodynamics540ReflectivityCondensed Matter::Soft Condensed MatterX-ray reflectivitychemistry.chemical_compoundchemistryddc:540Ionic liquidOrder (group theory)Physical and Theoretical ChemistryPhysical Chemistry Chemical Physics
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Protonenvermittelter Ringschluss eines negativ photochromen, Azulen‐basierten Diarylethens

2020

Auf Protonen ansprechende photochrome Moleküle sind aufgrund ihrer Fähigkeit, auf nicht-invasive schnelle optische Stimuli zu reagieren, und wegen der ubiquitären Bedeutung von Protonierungs- und Deprotonierungsprozessen, sehr interessant. Üblicherweise befinden sich die sauren/basischen Stellen dieser Moleküle an Heteroatomen, die orthogonal zum photoaktiven π-Zentrum ausgerichtet sind. In dieser Arbeit wird Azulen, ein protonensensitiver reiner Kohlenwasserstoff, in das Gerüst eines Diarylethen-Photoschalters eingebaut. Dieser zeigt einen bisher ungekannten, protonenvermittelten, negativ photochromen Ringschluss. Veränderungen seiner optischen Eigenschaften durch Protonierung, sowohl in d…

Säure-Base-Gleichgewicht010405 organic chemistryChemistryGeneral Medicine010402 general chemistry01 natural sciences3. Good health0104 chemical sciencesAzulen540 Chemie und zugeordnete WissenschaftenNegative Photochromieddc:540ddc:660PhotochemieDiarylethen
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Oxadiazolyl-Pyridinium as Cationic Scaffold for Fluorinated Ionic Liquid Crystals

2021

The synthesis and characterization of a new class of 1,2,4-oxadiazolylpyridinium as a cationic scaffold for fluorinated ionic liquid crystals is herein described. A series of 12 fluorinated heterocyclic salts based on a 1,2,4-oxadiazole moiety, connected through its C(5) or C(3) to an N-alkylpyridinium unit and a perfluoroheptyl chain, differing in the length of the alkyl chain and counterions, has been synthesized. As counterions iodide, bromide and bis(trifluoromethane)sulfonimide have been considered. The synthesis, structure, and liquid crystalline properties of these compounds are discussed on the basis of the tuned structural variables. The thermotropic properties of this series of sa…

TechnologyQH301-705.5QC1-999heterocyclicThermotropic crystalSettore CHIM/12 - Chimica Dell'Ambiente E Dei Beni Culturaliionic liquidsfluorinated saltsmesogenschemistry.chemical_compoundliquid crystalsLiquid crystalBromidePolymer chemistryMoietyGeneral Materials ScienceBiology (General)QD1-999InstrumentationAlkylFluid Flow and Transfer Processeschemistry.chemical_classificationTPhysicsProcess Chemistry and TechnologyGeneral EngineeringCationic polymerizationSettore CHIM/06 - Chimica OrganicaEngineering (General). Civil engineering (General)Computer Science ApplicationsChemistrychemistryddc:540Ionic liquidPyridiniumTA1-2040Applied Sciences
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Comparison of Permeation Measurements and Hybrid Density Functional Calculations on Oxygen Vacancy Transport in Complex Perovskite Oxides

2014

The oxygen vacancy (VO••) formation enthalpy (ΔHF) was determined from the effective activation energies obtained in the permeation measurements on a series of solid solutions La0.98–xSrxCo0.2Fe0.8O3−δ (x = 0.125–0.8) and compared with the results of ab initio calculations at finite temperatures based on the hybrid (PBE0) and GGA+U calculations, as well as previous thermogravimetric experiments. The Mulliken atomic charges, magnetic moments, and the Fe-VO•• and Sr-VO•• distances are analyzed. The strong dependence of formation enthalpy of VO•• on the Fe oxidation state due to variation in Sr and VO•• concentrations is discussed.

Thermogravimetric analysisMagnetic momentChemistryEnthalpy02 engineering and technologyPermeation010402 general chemistry021001 nanoscience & nanotechnology01 natural sciences7. Clean energy0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsGeneral EnergyOxidation stateAb initio quantum chemistry methodsddc:540Physical chemistryPhysical and Theoretical Chemistry0210 nano-technologyPerovskite (structure)Solid solution
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Charge transfer interactions in self-assembled single walled carbon nanotubes/Dawson–Wells polyoxometalate hybrids

2014

We demonstrate the success in self-assembling pyrene-modified Dawson–Wells-type polyoxometalates (POMs) with single walled carbon nanotubes (SWCNTs) by means of π–π interactions. In this context, the immobilization of POMs onto SWCNTs is corroborated by aberration-corrected high-resolution electron microscopy, thermogravimetric analysis, and Raman spectroscopy. From steady-state and time-resolved photophysical techniques we derived evidence for mutual interactions between SWCNTs and POMs in the excited states. The latter are the inception to a charge transfer from the SWCNTs to the POMs. Our results corroborate the suitability of POM–SWCNTs assemblies for photoactive molecular devices.

Thermogravimetric analysisMaterials scienceContext (language use)Nanotechnology-02 engineering and technologyCarbon nanotube010402 general chemistry01 natural scienceslaw.inventionSelf assembledsymbols.namesakelaw[CHIM]Chemical SciencesComputingMilieux_MISCELLANEOUSCharge (physics)General ChemistryNaturwissenschaftliche Fakultät021001 nanoscience & nanotechnology0104 chemical sciencesChemical engineeringExcited stateddc:540Polyoxometalatesymbols0210 nano-technologyRaman spectroscopy
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Alkoxide-intercalated NiFe-layered double hydroxides magnetic nanosheets as efficient water oxidation electrocatalysts

2016

Alkoxide-intercalated NiFe-layered double hydroxides were synthesized via the nonaqueous methanolic route. These nanoplatelets exhibit high crystalline quality as demonstrated by atomic resolution scanning transmission electron microscopy combined with electron energy-loss spectroscopy. Moreover, the presence of the alkoxide moieties has been unambiguously demonstrated by means of thermogravimetric analysis coupled to a mass spectrometer. These NiFe-LDHs can be exfoliated in water or organic solvents and processed into homogeneous ultra-thin films (&lt; 3nm thick) with the assistance of O2-plasma. The study of their behaviour as water oxidation electrocatalysts has shown an outstanding perf…

Thermogravimetric analysisMaterials scienceFOS: Physical sciences-02 engineering and technologyOverpotentialengineering.material010402 general chemistryMass spectrometry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundPhysics - Chemical PhysicsScanning transmission electron microscopySpectroscopyChemical Physics (physics.chem-ph)Condensed Matter - Materials ScienceTafel equationLayered double hydroxidesMaterials Science (cond-mat.mtrl-sci)Naturwissenschaftliche Fakultät021001 nanoscience & nanotechnology0104 chemical sciencesChemical engineeringchemistryddc:540Alkoxideengineering0210 nano-technologyInorganic Chemistry Frontiers
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