Search results for "crossing"

showing 10 items of 167 documents

A theoretical study on the thermal ring opening rearrangement of 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one: a case of two state reactivity

2009

The molecular mechanism of the thermal rearrangement of singlet 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one to give triplet 4-oxocyclohexa-2,5-dienylidene has been investigated using density functional theory (B3LYP and M05-2X functionals) as well as ab initio CASSCF and CASPT2 multiconfigurational methods. The reactant has a singlet ground state while the product can be found in three low lying electronic states P((3)B(1)), P((1)B(1)), and P((1)A'). Therefore, the molecular mechanism of this ring opening rearrangement may involve up to three different potential energy surfaces of two spin multiplicities: two singlet (closed shell, CS, and open shell, OS) and one triplet. The stationary points on …

Intersystem crossingDiradicalComputational chemistryChemistrySinglet fissionGeneral Physics and AstronomyDensity functional theorySinglet statePhysical and Theoretical ChemistryTriplet stateConical intersectionGround stateMolecular physicsPhysical Chemistry Chemical Physics
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An agency-promoting learning arena for developing shared work practices

2017

Despite the emerging recognition of the pivotal role played by professional agency within work contexts, little is known about how agency is promoted and enacted in organised work-related learning settings. This chapter focuses on the work conference as an orchestrated agency-promoting learning arena. We understand professional agency as a necessary precondition of work-related learning, and we emphasise the potential of work conferences to activate and promote such agency. Our empirical study investigated three work conferences in education and healthcare organisations in Finland. Utilising assessments, the investigation addressed how the participants perceived the conditions for learning …

Knowledge managementwork conferenceBoundary crossingdialogiEmpirical researchProfessional boundaries0502 economics and businessAgency (sociology)Health caretyössäoppiminenSociologyboundary crossingosallistuminenprofessionalismibusiness.industry05 social sciences050301 educationprofessional agencydialogical agencytoimijuusPublic relationswork-related learningWork (electrical)business0503 education050203 business & management
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Harvesting Fluorescence from Efficient Tk -> Sj (j, k > 1) Reverse Intersystem Crossing for ??* Emissive Transition-Metal Complexes

2013

Using a bimetallic Au(I) complex bearing alkynyl-(phenylene)3-diphosphine ligand (A-3), we demonstrate that the fluorescence can be exquisitely harvested upon T1 → Tk (k > 1) excitation followed by Tk → Sj (j, k > 1) intersystem crossing (ISC) back to the S1 state. Upon S0 → S1 355 nm excitation, the S1 → T1 intersystem crossing rate has been determined to be 8.9 × 108 s–1. Subsequently, in a two-step laser pump–probe experiment, following a 355 nm laser excitation, the 532 nm T1 → Tk probing gives the prominent blue 375 nm fluorescence, and this time-dependent pump–probe signal correlates well with the lifetime of the T1 state. Careful examination reveals the efficiency of Tk → Sj (j, k > …

LigandChemistryPhotochemistryInternal conversion (chemistry)FluorescenceSurfaces Coatings and FilmsElectronic Optical and Magnetic MaterialsGeneral EnergyIntersystem crossingTransition metalPhenylenePhysical and Theoretical ChemistryPhosphorescenceta116ExcitationThe Journal of Physical Chemistry C
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Climatic and anthropogenic influences on three burgundian watercourses : geoarchaelogy of crossing sites on Loire, Saône and Doubs during the Holocene

2015

A geoarchaeological study was led on four sections of the valleys of the Loire, Saône and Doubs rivers (Burgundy, France) in order to point out the factors influencing the alluvial dynamics on a multimillennial scale, and their effects on the preservation of archaeological information. Investigations started by roman and medieval remains of bridges discovered in active channels, were then carried out on larger parts of alluvial plains, and altogether allowed the evolutions of the channels during the Holocene period to be deducted. Various types of information on alluvial characteristics were crossed through time and space: ancient maps and XXth century or aerial photographs for centennial s…

LoireSedimentological recordsClimateGéoarchéologieClimatArchives sédimentairesFloodsFranchissementsCrossingDoubsHuman activitiesDynamique alluviale[SDU.STU] Sciences of the Universe [physics]/Earth SciencesCruesSaôneAlluvial dynamicsActivités humainesGeoarchaeology
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Three-gluon Green functions: low-momentum instanton dominance and zero-crossing

2016

International audience; We will report on a some efforts recently made in order to gain a better understanding of some IR properties of the 3-point gluon Green function by following both lattice and continuum QCD approaches.

Low-momentumParticle physicsInstantonQC1-999High Energy Physics::Lattice01 natural sciencesGluonTheoretical physicsLattice (order)quantum chromodynamics0103 physical sciencesddc:530010306 general physicsGreen functionslatticePhysicsQuantum chromodynamics010308 nuclear & particles physicsPhysicsHigh Energy Physics::PhenomenologygluonZero crossingGluonZero-crossing[PHYS.HPHE]Physics [physics]/High Energy Physics - Phenomenology [hep-ph]instantonHigh Energy Physics::Experimentmomentum: lowEPJ Web of Conferences
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Meiosis in translocation heterozygotes in the mosquito Culex pipiens.

1971

Adult Culex pipiens males irradiated with both X-rays and neutrons were crossed to untreated females and F1-egg rafts were checked for dominant lethality. F1-progenies were outcrossed with normal individuals in order to obtain lines with inherited semisterility. From a total of 120 lines that showed a certain amount of sterility 12 lines were studied cytologically. 10 lines showed reciprocal chromosome exchanges.—At late pachytene and diplotene cross configurations with large asynaptic regions at the center of the cross are obligatory. Bivalents, chains of three, chains of four, and ring configurations are present at metaphase and anaphase I. The different frequencies of the occurrence of s…

MaleHeterozygoteBiometryMitosisInterference (genetic)ChromosomesMeiosisCulex pipiensCentromereGeneticsAnimalsCrossing Over GeneticMetaphaseGenetics (clinical)Crosses GeneticAnaphaseGenes DominantGeneticsChromosome AberrationsNeutronsbiologyChromosomebiology.organism_classificationChiasmaRadiation EffectsCulexMeiosisInfertilityFemaleGenes LethalChromosoma
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Predominance of outcrossing in Lymnaea stagnalis despite low apparent fitness costs of self-fertilization.

2007

We have quantified the natural mating system in eight populations of the simultaneously hermaphroditic aquatic snail Lymnaea stagnalis, and studied the ecological and genetic forces that may be directing mating system evolution in this species. We investigated whether the natural mating system can be explained by the availability of mates, by the differential survival of self- and cross-fertilized snails in nature, and by the effects of mating system on parental fecundity and early survival. The natural mating system of L. stagnalis was found to be predominantly cross-fertilizing. Density of snails in the populations had no relationship with the mating system, suggesting that outcrossing ra…

MalePopulationPopulation DynamicsZoologyLymnaea stagnalisOutcrossingSnailBreedingPopulation densitySexual Behavior Animalbiology.animalInbreeding depressionAnimalsInbreedingeducationreproductive and urinary physiologyEcology Evolution Behavior and SystematicsLymnaeaPopulation Densityeducation.field_of_studybiologyEcologyMating systembiology.organism_classificationFecundityBiological EvolutionFertilityFertilizationbehavior and behavior mechanismsFemaleJournal of evolutionary biology
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Repeat expansion in spinocerebellar ataxia type 17 alleles of the TATA-box binding protein gene: an evolutionary approach.

2006

The variability and mutational changes of the CAG microsatellite in the TATA-box binding protein gene (TBP) were studied. We sequenced the microsatellite of the TBP gene of 25 unrelated individuals from northern Germany (10 SCA17 patients and 15 unaffected control individuals). In addition, the microsatellites were sequenced from individuals of 10 northern German families with at least one family member affected by SCA17. To study also the evolutionary history of this CAG/CAA microsatellite in nonhuman primates, the homologous regions were analysed from Pan troglodytes, Gorilla gorilla, Pongo pygmaeus, P. abellii, Hylobates lar, Nomascus leucogenys, Symphalangus syndactylus, Macaca mulatta,…

MalePrimatesUnequal crossing overEvolution MolecularMolecular evolutionHylobatesGeneticsmedicineAnimalsHumansSpinocerebellar AtaxiasComputer SimulationAlleleGenetics (clinical)GeneticsbiologyGenetic Variationbiology.organism_classificationmedicine.diseaseTATA-Box Binding ProteinNomascus leucogenysSpinocerebellar ataxiaMicrosatelliteFemaleTrinucleotide repeat expansionTrinucleotide Repeat ExpansionEuropean journal of human genetics : EJHG
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A flexible approach to the crossing hazards problem

2010

We propose a simple and flexible framework for the crossing hazards problem. The method is not confined to two-sample problems, but may also work with continuous exposure variables whose effect changes its sign at some time-point of the observed follow-up time. Penalized partial likelihood estimation relies upon the assumption of a smooth hazard ratio via low-rank basis splines with a conventional difference penalty to ensure smoothness, and additional ad hoc penalties to obtain restricted estimates useful in the context of crossing hazards. The framework naturally also leads to a statistical test that has good power for revealing a global effect under several alternatives, including crossi…

MaleStatistics and ProbabilityMathematical optimizationBiometryEpidemiologyContext (language use)Time-varying effectSimple (abstract algebra)P-splineHumansCrossing pointProportional Hazards ModelsMathematicsStatistical hypothesis testingLikelihood FunctionsSmoothnessBasis (linear algebra)Work (physics)Survival AnalysisCrossing hazardPower (physics)FemaleRestricted estimationSettore SECS-S/01 - StatisticaAlgorithmsSign (mathematics)
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Regiochemical memory in the adiabatic photolysis of thymine-derived oxetanes. A combined ultrafast spectroscopic and CASSCF/CASPT2 computational stud…

2020

[EN] The photoinduced cycloreversion of oxetanes has been thoroughly investigated in connection with the photorepair of the well-known DNA (6-4) photoproducts. In the present work, the direct photolysis of the two regioisomers arising from the irradiation of benzophenone (BP) and 1,3-dimethylthymine (DMT), namely the head-to-head (HH-1) and head-to-tail (HT-1) oxetane adducts, has been investigated by combining ultrafast spectroscopy and theoretical multiconfigurational quantum chemistry analysis. Both the experimental and computational results agree with the involvement of an excited triplet exciplex(3)[BPMIDLINE HORIZONTAL ELLIPSISDMT]* for the photoinduced oxetane cleavage to generate(3)…

Materials science010405 organic chemistryPhotodissociationGeneral Physics and Astronomy010402 general chemistryOxetanePhotochemistry01 natural sciencesQuantum chemistry0104 chemical scienceschemistry.chemical_compoundQUIMICA ORGANICAIntersystem crossingchemistryExcited stateUltrafast laser spectroscopyBenzophenonePhysical and Theoretical ChemistryGround statePhysical chemistry chemical physics : PCCP
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