Search results for "Step"
showing 10 items of 509 documents
CO Oxidation on Cationic Gold Clusters: A Theoretical Study
2008
Aiming at understanding the elementary steps governing the oxidation of CO catalyzed by dispersed or supported gold nanoclusters, the reactivity of molecular species, such as O2 and CO, on neutral and positively charged Au13 clusters have been studied using a DFT approach. Two CO oxidation mechanisms have been simulated, involving respectively the adsorption of CO and O2 on adjacent catalytic sites (two-sites mechanism) and the competitive interaction of the reactants on the same site (single-site mechanism). It is demonstrated that in the former scheme a definite interaction of CO and O2 with both the charged and neutral cluster is effective, but that a chemical reaction between the adsorb…
Atomic scale DFT simulations of point defects in uranium nitride
2007
Atomic scale density functional calculations are used to predict the behaviour of defects in uranium mononitride (UN). Two different density functional codes (VASP and CASTEP) were employed with supercells containing from 8 to 250 atoms (providing a significant range of defect concentrations). Schottky and nitrogen Frenkel point defect formation energies, local lattice relaxations and overall lattice parameter change, as well as the defect induced electronic density redistribution, are discussed.
Short-term occupations at high elevation during the Middle Paleolithic at Kalavan 2 (Republic of Armenia).
2021
The Armenian highlands encompasses rugged and environmentally diverse landscapes and is characterized by a mosaic of distinct ecological niches and large temperature gradients. Strong seasonal fluctuations in resource availability along topographic gradients likely prompted Pleistocene hominin groups to adapt by adjusting their mobility strategies. However, the role that elevated landscapes played in hunter-gatherer settlement systems during the Late Pleistocene (Middle Palaeolithic [MP]) remains poorly understood. At 1640 m above sea level, the MP site of Kalavan 2 (Armenia) is ideally positioned for testing hypotheses involving elevation-dependent seasonal mobility and subsistence strateg…
Climate and land-use changes as determinants of lesser kestrel Falco naumanni abundance in Mediterranean cereal steppes (Sicily)
2010
Monitoring of lesser kestrels Falco naumanni is necessary to promote conservation of this vulnerable species. To this end, 35 colonies of this species located in the NNW and SE of Sicily were monitored from 2003 to 2009. Counts of the active colonies and resident pairs were modelled by loglinear Poisson regressions to assess population trends over the study period. Afterwards, a GLM with an analysis of covariance design and a backward removal stepwise regression was performed to relate the observed trend to local- or global-scale climatic variation and to local land-use changes. Colony counts provided a better fit to the loglinear models than pair counts. Loglinear models separated the incr…
Fluoride-induced modulation of ionic transport in asymmetric nanopores functionalized with “caged” fluorescein moieties
2016
[EN] We demonstrate experimentally and theoretically a nanofluidic fluoride sensing device based on a single conical pore functionalized with "caged" fluorescein moieties. The nanopore functionalization is based on an amine-terminated fluorescein whose phenolic hydroxyl groups are protected with tert-butyldiphenylsilyl (TBDPS) moieties. The protected fluorescein (Fcn-TBDPS-NH2) molecules are then immobilized on the nanopore surface via carbodiimide coupling chemistry. Exposure to fluoride ions removes the uncharged TBDPS moieties due to the fluoride-promoted cleavage of the silicon-oxygen bond, leading to the generation of negatively charged groups on the fluorescein moieties immobilized on…
Consistency and word-frequency effects on spelling among first- to fifth-grade French children : A regression-based study.
2008
We describe a large-scale regression study that examines the influence of lexical (word frequency, lexical neighborhood) and sublexical (feedforward and feedback consistency) variables on spelling accuracy among first, second, and third- to fifth-graders. The wordset analyzed contained 3430 French words. Predictors in the stepwise regression analyses were grade-level-based and compiled from child-directed written materials. In all grades, feedforward consistency and word frequency had independent effects. However, whereas the feedforward-consistency contribution remained high and did not vary across grades, the impact of word frequency exhibited a massive jump between first and second grade…
Kielitutkinto porttina Suomeen ja astinkivenä suomen kieleen
2017
Artikkelissa tarkastellaan inkerilaisten paluumuuttajien kasityksia kielitutkinnosta, joka heidan oli suoritettava saadakseen oleskeluluvan Suomeen niin sanotulla inkerilaisstatuksella. Kielitutkinto oli kaytossa vuosina 2003–2016. Tarkastelun kohteena ovat myos taman kielitutkinnon vaikutukset kielenopiskeluun. Aineistona ovat paluumuuttovalmennukseen osallistuneiden, tutkintoon valmistautuneiden henkiloiden (n = 97) vastaukset kyselyyn, jonka he tekivat ennen kielitutkinnon suorittamista. Aineistoa tarkastellaan sisallonanalyysin keinoin. Aineiston perusteella kielenoppijat tiesivat tutkinnon rakenteesta ja sen suorittamisesta tietokoneella. Suorittajat olivat hyvin tietoisia myos siita, …
A new fuzzy robust dynamic controller for autonomous vehicles with nonholonomic constraints
2005
Abstract In this paper a novel algorithm with a dynamic fuzzy controller applied to the control of trajectory of vehicles with two independent wheels is proposed. An automatic control of trajectory of a vehicle can behave in a not efficient way. It is necessary to consider the friction of the actuators and possible perturbations coming from the outside environment, as for instance the variable characteristics of the ground where the vehicle moves. These perturbations, which depend also on the contact between the wheel and the ground, involve violations of nonholonomic constraints. Thus it is necessary to compensate for these perturbations to obtain a robust control system. The controller sy…
Circumdatin H, a new inhibitor of mitochondrial NADH oxidase, from Aspergillus ochraceus
2005
Circumdatin H (1), a new alkaloid from the culture broth of Aspergillus ochraceus, has been isolated, together with a known circumdatin, circumdatin E (2) and other known compounds: flavacol (3) and stephacidin A (4). The structure of 1 was established on the basis of chemical and spectral evidence. All of these alkaloids showed biological activity as inhibitors of the mammalian mitochondrial respiratory chain.
Chromone and phenanthrene alkaloids from Dennettia tripetala.
2002
Dennettine, a new 2,6-dimethoxychromone and three known phenanthrene alkaloids (uvariopsine, stephenanthrine and argentinine) in addition to the phenolic and known compound vanillin were isolated from the roots of Dennettia tripetala. Their structures were determined by physical and spectroscopical one dimensional (1D) and 2D-NMR analysis, including heteronuclear multiple bond correlation and nuclear Overhauser enhancement spectroscopy.