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showing 10 items of 3080 documents

On the Ambiguous Consequences of Omitting Variables

2015

This paper studies what happens when we move from a short regression to a long regression (or vice versa), when the long regression is shorter than the data-generation process. In the special case where the long regression equals the data-generation process, the least-squares estimators have smaller bias (in fact zero bias) but larger variances in the long regression than in the short regression. But if the long regression is also misspecified, the bias may not be smaller. We provide bias and mean squared error comparisons and study the dependence of the differences on the misspecification parameter.

Statistics::Machine LearningStatistics::TheoryC51C52BiasMisspecificationLeast-squares estimatorsddc:330Statistics::MethodologyC13Mean squared errorOmitted variablesStatistics::Computation
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Cytotoxic flavonoids from two Lonchocarpus species

2019

A new isoflavone, 4′-prenyloxyvigvexin A (1) and a new pterocarpan, (6aR,11aR)-3,8-dimethoxybitucarpin B (2) were isolated from the leaves of Lonchocarpus bussei and the stem bark of Lonchocarpus eriocalyx, respectively. The extract of L. bussei also gave four known isoflavones, maximaisoflavone H, 7,2′-dimethoxy-3′,4′-methylenedioxyisoflavone, 6,7,3′-trimethoxy-4′,5′-methylenedioxyisoflavone, durmillone; a chalcone, 4-hydroxylonchocarpin; a geranylated phenylpropanol, colenemol; and two known pterocarpans, (6aR,11aR)-maackiain and (6aR,11aR)-edunol. (6aR,11aR)-Edunol was also isolated from the stem bark of L. eriocalyx. The structures of the isolated compounds were elucidated by spectrosco…

Stem barkbiologyTraditional medicine010405 organic chemistryChemistryOrganic ChemistryPterocarpanPlant Sciencebiology.organism_classification01 natural sciencesBiochemistry0104 chemical sciencesAnalytical ChemistryLonchocarpus010404 medicinal & biomolecular chemistryddc:54Cytotoxic T cellCytotoxicityInstitut für Biochemie und BiologieNatural Product Research
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Radical cation salts of BEDT-TTF, enantiopure tetramethyl-BEDT-TTF, and TTF-Oxazoline (TTF-Ox) donors with the homoleptic TRISPHAT anion

2011

International audience; The synthesis and crystal structures of five radical cation salts based on the organic donors bis(ethylenedithio)tetrathiafulvalene (BEDT-TTF), racemic ethylenedithio-methyl-oxazoline-tetrathiafulvalene (EDT-TTF-MeOx) and the enantiopure (S,S,S,S) and (R,R,R,R) tetramethyl-bis(ethylenedithio)tetrathiafulvalene (TMBEDT-TTF) and the D3-symmetric anion tris(tetrachlorobenzenediolato)phosphate(V) (TRISPHAT) are reported. The salts are formulated as [BEDT-TTF][(rac)-TRISPHAT]·CH2Cl2 (1), [BEDT-TTF][(rac)-TRISPHAT]·2CH3CN (2), [(rac)-EDT-TTF-Ox][(rac)-TRISPHAT]·CH3CN (3), [(S,S,S,S)-TMBEDT-TTF][(rac)-TRISPHAT]·2CH3CN (4), and [(R,R,R,R)-TMBEDT-TTF][(rac)-TRISPHAT]·2CH3CN (…

Stereochemistry02 engineering and technologyOxazolineCrystal structure010402 general chemistry01 natural sciencesMedicinal chemistryCatalysislaw.inventionchemistry.chemical_compoundTRISPHATlawMaterials ChemistryHomolepticElectron paramagnetic resonanceGeneral Chemistry021001 nanoscience & nanotechnology0104 chemical sciences3. Good health[CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistryEnantiopure drugRadical ionchemistryddc:5400210 nano-technologyTetrathiafulvaleneNew Journal of Chemistry
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Comparing the Antileishmanial Activity of Gold(I) and Gold(III) Compounds in L. amazonensis and L. braziliensis in Vitro

2020

Abstract Abstract: A series of mononuclear coordination or organometallic AuI/AuIII complexes (1–9) have been comparatively studied in vitro for their antileishmanial activity against promastigotes and amastigotes, the clinically relevant parasite form, of Leishmania amazonensis and Leishmania braziliensis. One of the cationic AuI bis‐N‐heterocyclic carbenes (3) has low EC50 values (ca. 4 μM) in promastigotes cells and no toxicity in host macrophages. Together with two other AuIII complexes (6 and 7), the compound is also extremely effective in intracellular amastigotes from L. amazonensis. Initial mechanistic studies include an evaluation of the gold complexes′ effect on L. amazonensis’ pl…

StereochemistryAntiprotozoal Agentsamastigotes01 natural sciencesBiochemistryMiceGold iiiParasitic Sensitivity TestsGold CompoundsDrug Discoverygold compoundsmedicineAnimalsGeneral Pharmacology Toxicology and PharmaceuticsAmastigoteleishmaniasisCells CulturedEC50LeishmaniaPharmacologyMice Inbred BALB CMolecular Structurebiology010405 organic chemistryChemistryCommunicationOrganic ChemistryLeishmaniasismedicine.diseasebiology.organism_classificationLeishmania braziliensisCommunicationsIn vitroddc:0104 chemical sciences010404 medicinal & biomolecular chemistryMolecular MedicinepromastigotesOrganogold CompoundsIntracellularChemMedChem
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Mixed micelles composed of Peptides and Gadolinium complexes as tumor-specific contrast agents in MRI: a SANS study

2004

A detailed structural investigation on mixed micelle aggregates as target-specific contrast agents for magnetic resonance imaging technique has been carried out by way of small angle neutron scattering measurements. These mixed micelles are formed by two new amphiphilic molecules formed by a bioactive peptide and a claw moiety. The first molecule, C18H37CONH(AdOO)(x)-G-CCK8 (C18LxCCK8, x = 2, 5), contains an 18-carbon-atom alkylic chain bound to the C-terminal of the cholecystokinin octapeptide amide (CCK 26-33 or CCK8) and is able to bind to the overexpressed CCK receptor of some tumor cells. The second molecule, C(18)H(37)CONHLys(DTPAGlu)CONH25- (C18DTPAGlu) or its gadolinium complex [C(1…

StereochemistryGadoliniumMicelles Peptide Nanocarriers SANSContrast Media Gadolinium amide protonchemistry.chemical_elementCholecystokinin receptorMicelleSmall-angle neutron scatteringSurfaces Coatings and FilmsJchemistry.chemical_compoundchemistryAmideMaterials ChemistryMoietyMoleculeChelationddc:530Physical and Theoretical Chemistry
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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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Recent Borexino results and prospects for the near future

2015

The Borexino experiment, located in the Gran Sasso National Laboratory, is an organic liquid scintillator detector conceived for the real time spectroscopy of low energy solar neutrinos. The data taking campaign phase I (2007 - 2010) has allowed the first independent measurements of 7Be, 8B and pep fluxes as well as the first measurement of anti-neutrinos from the earth. After a purification of the scintillator, Borexino is now in phase II since 2011. We review here the recent results achieved during 2013, concerning the seasonal modulation in the 7Be signal, the study of cosmogenic backgrounds and the updated measurement of geo-neutrinos. We also review the upcoming measurements from phase…

Sterile neutrinoPhysics - Instrumentation and Detectorsneutrino: solarPhysics::Instrumentation and DetectorsSolar neutrinoQC1-999Astrophysics::High Energy Astrophysical Phenomenascintillation counter: liquidFOS: Physical sciencesScintillator53001 natural sciences7. Clean energyHigh Energy Physics - ExperimentNuclear physicsHigh Energy Physics - Experiment (hep-ex)Physics and Astronomy (all)Low energy[ PHYS.HEXP ] Physics [physics]/High Energy Physics - Experiment [hep-ex]0103 physical sciences[PHYS.HEXP]Physics [physics]/High Energy Physics - Experiment [hep-ex]ddc:530[PHYS.PHYS.PHYS-INS-DET]Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det]010306 general physics[ PHYS.PHYS.PHYS-INS-DET ] Physics [physics]/Physics [physics]/Instrumentation and Detectors [physics.ins-det]BorexinoPhysics010308 nuclear & particles physicsneutrino: energy: lowgeophysicsbackgroundPhysicsDetectorneutrino: flux: measuredHigh Energy Physics::PhenomenologyInstrumentation and Detectors (physics.ins-det)neutrino: particle sourceneutrino: sterileantineutrinoGran SassoNEUTRINOS13. Climate actionBorexinoHigh Energy Physics::ExperimentNeutrinoNational laboratory
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