Search results for " density"

showing 10 items of 2709 documents

Assignment of Configuration in a Series of Dioxolanone-Type Secondary Metabolites fromGuignardia bidwellii- A Comparison of VCD and ECD Spectroscopy

2013

The absolute configurations of a series of phytotoxic dioxolanone-type secondary metabolites isolated from culture filtrates of the grape black rot fungus Guignardia bidwellii were determined by vibrational circular dichroism (VCD) spectroscopy in the mid-IR frequency range. Comparison of the recorded data with DFT calculations showed good agreement between experiment and theory for VCD, whereas electronic circular dichroism (ECD) data for the compounds matched poorly with the predicted spectra obtained by time-dependent DFT (TDDFT) calculations at the same level of theory.

Circular dichroismBlack rotbiologyComputational chemistryChemistryOrganic ChemistryVibrational circular dichroismAnalytical chemistryGuignardiaTime-dependent density functional theoryPhysical and Theoretical Chemistrybiology.organism_classificationSpectroscopyEuropean Journal of Organic Chemistry
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Combined spectroscopic and theoretical analysis of the binding of a water-soluble perylene diimide to DNA/RNA polynucleotides and G-quadruplexes.

2021

We present here a combined spectroscopic and theoretical analysis of the binding of N,N’-bis(2-(1-piperazino)ethyl)-3,4,9,10-perylenetetracarboxylic acid diimide dichloride (PZPERY) to different biosubstrates. Absorbance titrations and circular dichroism experiments, melting studies and isothermal calorimetry (ITC) titrations reveal a picture where the binding to natural double-stranded DNA is very different from that to double and triple-stranded RNAs (poly(A)∙poly(U) and poly(U)∙poly(A)⁎poly(U)). As confirmed also by the structural and energetic details clarified by density functional theory (DFT) calculations, intercalation occurs for DNA, with a process driven by the combination of aggr…

Circular dichroismIntercalation (chemistry)PolynucleotidesSupramolecular chemistryMolecular dynamicsG-quadruplexChemistry Physical and theoreticalAnalytical ChemistryAggregationchemistry.chemical_compoundDiimideQuímica físicaIntercalationHumansInstrumentationPeryleneSpectroscopyAggregation; Density functional theory; Intercalation; Molecular dynamics; Sitting atop; Circular Dichroism; DNA; Humans; Polynucleotides; RNA; Water; G-Quadruplexes; PeryleneCircular DichroismWaterIsothermal titration calorimetryDNAAtomic and Molecular Physics and OpticsSitting atopG-QuadruplexesCrystallographychemistrySettore CHIM/03 - Chimica Generale E InorganicaPolynucleotideDensity functional theoryRNAPeryleneSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy
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New Austalides from the Sponge-Associated Fungus Aspergillus sp.

2011

Chromatographic separation of a crude extract obtained from the fungus Aspergillus sp., isolated from the Mediterranean sponge Tethya aurantium, yielded five new meroterpenoid metabolites, austalides M–Q (1–5), together with nine known compounds (6–13). The structures of the new compounds were unambiguously elucidated on the basis of extensive 1D and 2D NMR methods and by mass spectral analysis. Furthermore, the absolute configurations of 1 and 4 were determined by time-dependent density functional theory electronic circular dichroism (TDDFT ECD) calculations, allowing the assignment of the absolute configuration of analogous compounds 2, 3, and 5. The calculations revealed that the conform…

Circular dichroismbiologyStereochemistryChemistryOrganic ChemistryAbsolute configurationTime-dependent density functional theoryChromophorebiology.organism_classificationPhthalidechemistry.chemical_compoundTermészettudományokPhysical and Theoretical ChemistryTethya aurantiumKémiai tudományokCytotoxicityTwo-dimensional nuclear magnetic resonance spectroscopyEuropean Journal of Organic Chemistry
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Policies can help to apply successful strategies to control soil and water losses. The case of chipped pruned branches (CPB) in Mediterranean citrus …

2018

[EN] There is a need to devise management strategies that control soil and water losses in agriculture land to allow the design of proper policies to achieve sustainability. It is the responsibility of scientists to work with other actors to co-construct strategies that will lead to sustainable land-use policies. Using chipped pruned branches (CPB) as mulch can be a viable option because they represent local (in situ) organic material that can restore soil nutrient and organic matter. This research assesses: i) the perception of farmers towards different types of management strategies and CPB's costs; ii) the biomass yield of citrus branches and the impact of CPB on soil properties; iii) ho…

CitrusRunoffGeography Planning and Development010501 environmental sciencesManagement Monitoring Policy and LawMediterranean01 natural sciencesSoilMulchesRelleu (Geografia)0105 earth and related environmental sciencesNature and Landscape Conservation2. Zero hungerbusiness.industryForestry04 agricultural and veterinary sciencesVegetationCOMERCIALIZACION E INVESTIGACION DE MERCADOS15. Life on landPE&RCBulk densitySoil qualitySettore AGR/02 - Agronomia E Coltivazioni ErbaceeAgronomyAgricultureSoil Erosion Runoff Mulches Citrus MediterraneanErosion040103 agronomy & agricultureErosion0401 agriculture forestry and fisheriesEnvironmental scienceSurface runoffbusinessSoil conservationMulch
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MoSi2 laser cladding—elaboration, characterisation and addition of non-stabilized ZrO2 powder particles

2003

International audience; The cladding process using laser beam radiation comprises different operational regimes, depending on the involved lasers (usually CO2 or Nd:YAG) and materials. A series of experiments has been carried out to investigate Nd:YAG laser cladding using MoSi2 powder. Procedures and operating parameters for producing clad layers has been developed and their properties evaluated. The feasibility of the laser cladding technique, using a high power Nd:YAG laser, by projecting MoSi2 powder on steel substrate was demonstrated. The results indicate a low density of cracks, elevated powder catchment efficiency (between 65 and 90%) and hardness values around 1200–1300 HV. Our goal…

Cladding (metalworking)Materials scienceIntermetallicsMechanical EngineeringMetallurgyMetals and AlloysLaser processing[ PHYS.COND.CM-MS ] Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]General ChemistryRadiationLaserCorrosion- and erosion-resistant applicationslaw.inventionPhase identificationCorrosionMechanics of Materialslaw[PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]Materials ChemistryLow densityCubic zirconiaLaser beams
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Approximations in Statistics from a Decision-Theoretical Viewpoint

1987

The approximation of the probability density p(.) of a random vector x∊X by another (possibly more convenient) probability density q(.) which belongs to a certain class Q is analyzed as a decision problem where the action space is the class Qof available approximations, the relevant uncertain event is the actual value of the vector x and the utility function is a proper scoring rule. The logarithmic divergence is shown to play a rather special role within this approach. The argument lies entirely within a Bayesian framework.

Class (set theory)Multivariate random variableScoring ruleStatisticsProbability density functionFunction (mathematics)Decision problemDivergence (statistics)MathematicsEvent (probability theory)
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Effects of climate and land-use change on species abundance in a Central European bird community.

2007

Although it is known that changes in land use and climate have an impact on ecological communities, it is unclear which of these factors is currently most important. We sought to determine the influence of land-use and climate alteration on changes in the abundance of Central European birds. We examined the impact of these factors by contrasting abundance changes of birds of different breeding habitat, latitudinal distribution, and migratory behavior. We examined data from the semiquantitative Breeding Bird Atlas of Lake Constance, which borders Germany, Switzerland, and Austria. Changes in the regional abundance of the 159 coexisting bird species from 1980-1981 to 2000-2002 were influenced…

ClimatePopulationClimate changeBirdsSpecies SpecificityAbundance (ecology)GermanyAnimalsLand use land-use change and forestryeducationRelative species abundanceEcology Evolution Behavior and SystematicsEcosystemPhylogenyNature and Landscape ConservationDemographyPopulation Densityeducation.field_of_studyAnalysis of VarianceEcologyEcologyGlobal warmingGlobal changeGeographyHabitatAustriaAnimal MigrationSwitzerlandConservation biology : the journal of the Society for Conservation Biology
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FP247RENAL ALTERATIONS AFTER A MARATHON AND THE IMPACT OF POSTRACE RECOVERY METHOD ON THEIR RESOLUTION: A CLINICAL TRIAL

2018

Clinical trialTransplantationmedicine.medical_specialtyRecovery methodNephrologybusiness.industryResolution (electron density)MedicineRadiologybusinessNephrology Dialysis Transplantation
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STURMIAN WORDS AND AMBIGUOUS CONTEXT-FREE LANGUAGES

1990

If x is a rational number, 0<x≤1, then A(x)c is a context-free language, where A(x) is the set of factors of the infinite Sturmian words with asymptotic density of 1’s smaller than or equal to x. We also prove a “gap” theorem i.e. A(x) can never be an unambiguous co-context-free language. The “gap” theorem is established by proving that the counting generating function of A(x) is transcendental. We show some links between Sturmian words, combinatorics and number theory.

CombinatoricsDiscrete mathematicsRational numberCombinatorics on wordsNumber theoryContext-free languageComputer Science (miscellaneous)Generating functionSturmian wordNatural densityTranscendental numberMathematicsInternational Journal of Foundations of Computer Science
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Rigidity of random networks of stiff fibers in the low-density limit.

2001

Rigidity percolation is analyzed in two-dimensional random networks of stiff fibers. As fibers are randomly added to the system there exists a density threshold ${q=q}_{\mathrm{min}}$ above which a rigid stress-bearing percolation cluster appears. This threshold is found to be above the connectivity percolation threshold ${q=q}_{c}$ such that ${q}_{\mathrm{min}}=(1.1698\ifmmode\pm\else\textpm\fi{}{0.0004)q}_{c}.$ The transition is found to be continuous, and in the universality class of the two-dimensional central-force rigidity percolation on lattices. At percolation threshold the rigid backbone of the percolating cluster was found to break into rigid clusters, whose number diverges in the…

CombinatoricsRigidity (electromagnetism)Condensed matter physicsAverage sizeCluster (physics)ExponentLow densityPercolation thresholdRenormalization groupScalingMathematicsPhysical review. E, Statistical, nonlinear, and soft matter physics
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