Search results for "FUNCTIONAL"

showing 10 items of 4822 documents

Iron-Catalyzed C(sp2)–C(sp3) Cross-Coupling of Aryl Chlorobenzoates with Alkyl Grignard Reagents

2020

Aryl benzoates are compounds of high importance in organic synthesis. Herein, we report the iron-catalyzed C(sp2)&ndash

Chlorobenzoatesaryl estersPharmaceutical ScienceMedicinal chemistryArticleCatalysisAnalytical ChemistryCatalysislcsh:QD241-441chemistry.chemical_compoundironlcsh:Organic chemistryDrug Discoverycross-couplingPhysical and Theoretical ChemistryAlkylchemistry.chemical_classificationNucleophilic additionMolecular StructureArylOrganic ChemistryBenzoatesChlorobenzoateschemistryChemistry (miscellaneous)Fe-catalysisFunctional groupKumada cross-couplingMolecular MedicineOrganic synthesisC–O activationIron CompoundsMolecules
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Similarity and Specificity of Chlorophyll b Triplet State in Comparison to Chlorophyll a as Revealed by EPR/ENDOR and DFT Calculations

2019

An investigation of the photoexcited triplet state of chlorophyll (Chl) b has been carried out by means of electron nuclear double resonance, both in a frozen organic solvent and in a protein environment provided by the water-soluble chlorophyll protein of Lepidium virginicum. Density functional theory calculations have allowed the complete assignment of the observed hyperfine couplings corresponding to the methine protons and the methyl groups, leading to a complete picture of the spin density distribution of the triplet state in the tetrapyrrole macrocycle. The triplet-state properties of Chl b are found to be similar, in many respects, to those previously reported for Chl a, although som…

Chlorophyll bElectron nuclear double resonance010304 chemical physics010402 general chemistry01 natural sciencesTetrapyrrole0104 chemical sciencesSurfaces Coatings and Filmslaw.inventionchemistry.chemical_compoundCrystallographychemistrylaw0103 physical sciencesMaterials ChemistryDensity functional theoryPhysical and Theoretical ChemistryTriplet stateElectron paramagnetic resonanceHyperfine structureMethyl group
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Upward and downward solar-induced chlorophyll fluorescence yield indices of four tree species as indicators of traffic pollution in Valencia

2013

Abstract: Passive steady-state chlorophyll fluorescence (Fs) provides a direct diagnosis of the functional status of vegetation photosynthesis. With the prospect of mapping Fs using remote sensing techniques, field measurements are mandatory to understand to which extent Fs allows detecting plant stress in different environments. Trees of four common species in Valencia were classified in either a low or a high local traffic exposure class based on their leaf magnetic value. Upward and downward hyperspectral fluorescence yield (FY) and indices based on the two Fs peaks (at 687 and 741 nm) were calculated. FY indices of P. canariensis and P. x acerifolia were significantly different between …

ChlorophyllHealth Toxicology and MutagenesisToxicologyPhotosynthesisAtmospheric sciencesFluorescenceTreesAir PollutionPhotosynthesisChlorophyll fluorescenceValenciaBiologyRemote sensingVehicle EmissionsAir PollutantsbiologyTraffic pollutionGeneral MedicineVegetationbiology.organism_classificationPollutionChemistrySpainYield (chemistry)SunlightEnvironmental scienceFunctional statusTree speciesAutomobilesEnvironmental MonitoringEnvironmental pollution
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Topological structure analysis of chromatin interaction networks.

2019

Abstract Background Current Hi-C technologies for chromosome conformation capture allow to understand a broad spectrum of functional interactions between genome elements. Although significant progress has been made into analysis of Hi-C data to identify biologically significant features, many questions still remain open, in particular regarding potential biological significance of various topological features that are characteristic for chromatin interaction networks. Results It has been previously observed that promoter capture Hi-C (PCHi-C) interaction networks tend to separate easily into well-defined connected components that can be related to certain biological functionality, however, …

Chromatin interaction networksFunctionally related modulesComputer scienceCellStructure (category theory)Topologylcsh:Computer applications to medicine. Medical informaticsBiochemistryGenomeChromosome conformation capture03 medical and health sciences0302 clinical medicineGraph topologyStructural BiologyComponent (UML)medicineHumansGene Regulatory NetworksCell type specificityPromoter Regions GeneticMolecular Biologylcsh:QH301-705.5030304 developmental biologyConnected component0303 health sciencesApplied MathematicsResearchChromatinComputer Science ApplicationsChromatinHematopoiesisIdentification (information)medicine.anatomical_structurelcsh:Biology (General)Gene Expression RegulationTopological graph theorylcsh:R858-859.7DNA microarray030217 neurology & neurosurgeryAlgorithmsBMC bioinformatics
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Stability of Plant Sterols in Ingredients Used in Functional Foods

2011

The content of plant sterol (PS) and their oxidation products (POPs) in eight ingredients used to enrich functional foods was studied. A gas chromatographic (GC) technique with mass-spectrometric detection was used for identification, while GC with a flame ionization detector (GC-FID) was used for quantification. β-Sitosterol was the most abundant phytosterol, and the main POPs found were derived from this compound (7α/β-hydroxysitosterol, 7-ketositosterol, and sitostanetriol). The total amount of POPs found in the ingredients ranged from 29.03 to 110.02 μg/100 g PS. The β-sitosterol oxidation rates ranged from 10 to 50 μg β-sitosterol oxides/100 g of β-sitosterol. In view of this low rate …

Chromatography GasChromatographyChemistryPhytosterolReproducibility of ResultsGeneral ChemistryPlantsMass spectrometrySterollaw.inventionSterolsIngredientFunctional FoodLimit of DetectionlawFlame ionization detectorGas chromatographyGas chromatography–mass spectrometryGeneral Agricultural and Biological SciencesOxidation-ReductionPlant sterolsJournal of Agricultural and Food Chemistry
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Synthesis and properties of chemically modified dihydroxy-, hydroxyamino- and amino-functional silica packings in adsorption chromatography

1980

1,2-Dihydroxy-3-propoxypropyl (HPP), 1-amino-2-hydroxy-3-propoxypropyl (AHP) and 3-(2-aminoethylamino)propyl (AEAP) silica packings were synthesized by means of both a surface modification and a bulk modification procedure. In surface modification a complete monolayer of bonded groups could be achieved. The modifiers reacted with the silanol groups according to a bifunctional mechanism. Eluotropic series of solvents were established on these polar modified silicas referring to n-heptane having ɛ∘=0. The solvent parameter ratio of modified to bare silica was found to be constant over a wide range of solvent compositions as \(\varepsilon _{{\text{HPP - silica}}}^ \circ = 0.26\varepsilon _{{\t…

ChromatographyChemistryClinical BiochemistryGeneral MedicineAnalytical ChemistrySolventSilanolchemistry.chemical_compoundAdsorptionColumn chromatographyMonolayerSurface modificationMoietyGeneral Materials ScienceBifunctionalFresenius' Zeitschrift für analytische Chemie
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Strong circularly polarized luminescence of an octahedral chromium(iii) complex

2019

The chiral spin-flip luminophore [Cr(ddpd)2]3+ can be resolved into enantiopure material by chiral HPLC. The corresponding enantiomers show very high luminescence dissymmetry factors of up to ∣glum ∣≈ 0.093 in circularly polarized luminescence (CPL) measurements for the "ruby-like" phosphorescence transition 2E/2T1 → 4A2 in the near-IR region around λ ≈ 775 nm.

ChromiumLuminescenceMaterials scienceLuminescent MeasurementsMolecular Conformationchemistry.chemical_element010402 general chemistry01 natural sciencesCatalysischemistry.chemical_compoundChromiumCoordination ComplexesMaterials ChemistryDensity Functional Theory010405 organic chemistryMetals and AlloysGeneral Chemistry0104 chemical sciencesSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsChiral column chromatographyCrystallographyEnantiopure drugchemistryLuminescent MeasurementsCeramics and CompositesLuminophoreEnantiomerLuminescencePhosphorescenceChemical Communications
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Pairing energy effects in cyanide complexes of CpCrIII

1999

International audience; The steric and electronic factors responsible for the reactivity differences between CN and Cl complexes of CpCrIII were examined by DFT/B3LYP computational techniques. The energy difference between quadruplet and doublet [CpCr(CN)2(PH3)], ΔED–Q, was calculated to be 21.2 kcal mol−1 with the LanL2DZ basis set. Although the high-spin configuration is still the ground state for the cyanide complex, the energy gap is 8.7 kcal mol−1 less than that found for the corresponding chloride species. The difference between quadruplet [CpCr(CN)2(PH3)] and doublet [CpCr(CN)2(PH3)2] less free PH3, ΔECr–P, is also smaller than for the Cl system. The components of ΔECr–P for CN and C…

ChromiumSteric effectsElectronic structureCyanidesSpin statesCyanideElectronic structureDensity-functional calculationInorganic Chemistrychemistry.chemical_compoundCrystallographychemistryComputational chemistryPairingSpin state[CHIM.COOR]Chemical Sciences/Coordination chemistryReactivity (chemistry)Ground stateBasis set
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Ultrasound-Guided Percutaneous Neuromodulation in Patients with Chronic Lateral Epicondylalgia: A Pilot Randomized Clinical Trial

2021

Objective: The aim was to analyze effects of a percutaneous neuromodulation (PNM) treatment on the radial nerve, regarding pain, functionality, electrophysiologic excitability, and morphology, in patients with chronic lateral epicondylalgia (LE). Methods: Twenty-four patients with chronic unilateral elbow pain were recruited for this preliminary study and were divided into two groups: control (n = 12) and PNM group (n = 12). The subjects in the PNM group received percutaneous peripheral neurostimulation with an acupuncture needle that was located next to the nerve with ultrasound guidance. Pain using a numerical rating scale (NRS), functional ability using patient-rated tennis elbow evaluat…

ChronaxieHealth Toxicology and Mutagenesismedicine.medical_treatmentPilot ProjectsChronic painlaw.invention0302 clinical medicineRandomized controlled triallawlateral epicondylalgiaFunctional abilityFisioterapiapercutaneous nerve stimulationPain MeasurementUltrasonography030222 orthopedicseducation.field_of_studyultrasoundNeuromodulationPercutaneous nerve stimulationRehabilitationRLateral epicondylalgiaChronic painAnesthesianeuromodulationMedicineEnfermeríaSistema nerviós Malaltieschronic painPopulationEnfermería Fisioterapia y PodologíaArticlerehabilitation03 medical and health sciencesUltrasoundmedicineTennis elbowHumansSistema musculoesqueléticoRadial nerveeducationNeurostimulationUltrasonography InterventionalRadial nervebusiness.industryPublic Health Environmental and Occupational HealthTennis Elbowmedicine.diseaseradial nerveRehabilitacióbusiness030217 neurology & neurosurgeryInternational Journal of Environmental Research and Public Health
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Contact-induced phenomena in the Alps

2019

The main question underlying this chapter is to what extent language contact can affect syntactic structure. To tackle this issue we examine two relevant phenomena found in two minority languages spoken in the region Trentino-Alto Adige/South Tyrol: clitic climbing in Dolomitic Ladin and the use of the Romance complementizer ke in Cimbrian. Both phenomena are usually considered as the result of a contact-induced change influenced by the neighbouring Italo-Romance varieties. However, it is shown that the rising of clitic climbing is a language-internal process which is only accelerated by the contact with Italian. Similarly, the lexical borrowing of the complementizer ke in Cimbrian does not…

CimbrianHistoryreconstructionSettore L-FIL-LET/09 - Filologia E Linguistica RomanzaMinority language heritage language Cimbrian Complementizer borrowing functional elementsheritage languageMinority languageborrowingSettore L-LIN/01 - Glottologia E LinguisticaComplementizerSettore L-LIN/14 - Lingua E Traduzione - Lingua TedescaRhaeto-romancefunctional elementsclitic climbing
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