Search results for "Function"

First-principles calculations on surface hydroxyl impurities in BaF2

2012

Abstract OH − impurities located near the (1 1 1) BaF 2 surface have been studied by using density functional theory (DFT) with hybrid exchange potentials, namely DFT-B3PW. Twenty surface OH − configurations were studied, and the hydroxyls located on the first surface layer are the energetically most favorable configurations. For the (1 1 1) BaF 2 surface atomic layers, the surface hydroxyls lead to a remarkable XY -translation and a dilating effect in the Z -direction, overcoming the surface shrinking effect in the perfect slab. Bond population analysis shows that the surface effect strengthens the covalency of surface OH − impurities. The studies on band structures and density of states (…

Oxidative stress, endothelial biomarkers and non-invasive vascular function in the general population in health and disease

2013

Context-dependent foraging habitat selection in a farmland raptor along an agricultural intensification gradient

2021

Abstract Gradients of agricultural intensification in agroecosystems may determine uneven resource availability for predators relying on these man-made habitats. In turn, these variations in resource availability may affect predators’ habitat selection patterns, resulting in context-dependent habitat selection. We assessed the effects of gradients of landscape composition and configuration on habitat selection of a colonial farmland bird of prey, the lesser kestrel (Falco naumanni), relying on 76 GPS-tracked nestling-rearing individuals from 10 populations scattered along an agricultural intensification gradient. Analyses were conducted considering two ecological levels of aggregation (the …

¿Para qué sirve la escuela? Reflexiones sociológicas en tiempos de pandemia global

2020

La pandemia global generada por el Covid-19 y las medidas de confinamiento obligatorio de la población que de ella se derivan suponen retos sin precedentes para los sistemas educativos a nivel global. El cierre generalizado de todos los centros educativos a nivel presencial pone de relieve una pregunta clave: ¿Para qué sirve su escuela? El objetivo del artículo es reflexionar sobre esta cuestión desde una mirada sociológica y, en particular, desde un enfoque de la justicia educativa y social. Se argumenta que la función principal de la escuela como institución especializada debe ser la transmisión y adquisición de conocimientos profundos, relevantes y con sentido para todos y todas las estu…

Maximal isometric muscle strength and functional ability in daily activities among 75-year-old men and women

2007

The purpose of this study was to analyze whether functional ability in daily activities among 75-year-old men and women is predicted by physical activity, isometric muscle strength and simple function tests. In this representative sample of a general population of 405 75-year-olds, isometric muscle strength and functional ability in daily activities were closely related (odds ratio of disability 1.2–2.1), stressing the importance of strength in the truncus, proximal and distal muscle groups for daily activities. There were strong correlations between physical activity, isometric muscle strength as well as simple function tests and ability to manage daily activities. Those with even light ph…

2015

Low prevalence of substance-use disorder has been reported in adults with autism. However, on a superficial level, adults with high-functioning autism (HFA) display a ‘normal’ facade when they drink alcohol, which may explain why their alcohol dependency is not better diagnosed. Here, we report two cases of HFA adults who use alcohol and psychostimulants to cope with their anxiety and improve their cognitive abilities and social skills. We analyze how neurocognitive traits associated with HFA may be potential triggers for substance-use disorder. Better identification of autism and its cognitive impairments, which may be vulnerability traits for developing substance-use disorders, could help…

Reduced regional systolic function evolved compacted segments in noncompaction

2010

Abstract In a recent report about noncompaction Nemes et al. reported that systolic left ventricular (LV) dysfunction assessed using the wall motion score during 2D echocardiography in noncompaction is not confined to noncompacted LV segments. These results confirmed some published reports of our group. Recently we analyzed a population of 238 patients affected by noncompaction, and demonstrated that the number of noncompacted segment is uncorrelated with the degree of systolic dysfunction. It is an attractive hypothesis that the systolic dysfunction could be depend on the fibrosis of the left ventricle, itself a consequence of microcirculatory dysfunction, which has been confirmed by repor…

Knowledge-building patterns in educational dialogue

2017

This study aimed to examine knowledge-building patterns in Grade 6 educational dialogues. The data consisted of 20 video-recorded lessons from the classes taught by seven teachers, selected by using a latent profile analysis and examined with a qualitative functional analysis of classroom talk. Episodes of educational dialogue were found to represent three main types of knowledge, based on facts, views and experiences. These three types were further identified as forming six diverse knowledge-building patterns in educational dialogues. The findings indicated that factual orientation dominated the Grade 6 lesson dialogues. However, factual knowledge building often occurred with the other two…

Syntheses of Trifluoroethylated N-Heterocycles from Vinyl Azides and Togni’s Reagent Involving 1,n-Hydrogen-Atom Transfer Reactions

2020

2,2,2-Trifluoroethyl-substituted 3-oxazolines, 3-thiazolines, and 5,6-dihydro-2H-1,3-oxazines have been obtained by reacting substituted vinyl azides with a combination of Togni’s reagent and substoichiometric amounts of iron(II) chloride. The results of density functional theory calculations support the proposed mechanism involving 1,n-hydrogen-atom transfer reactions. peerReviewed

Chalcogen‐Bonding Interactions in Telluroether Heterocycles [Te(CH2)m]n (n=1-4; m=3-7)

2020

The Te…Te secondary bonding interactions (SBI) in solid heterocyclic telluroethers were explored by preparing and structurally characterizing a series of [Te(CH2)m]n (n = 1‐4; m = 3‐7) species. The SBIs in 1,7‐Te2(CH2)10, 1,8‐Te2(CH2)12, 1,5,9‐Te3(CH2)9, 1,8,15‐Te3(CH2)18, 1,7,13,19‐Te4(CH2)20, 1,8,15,22‐Te4(CH2)24, and 1,9,17,25‐Te4(CH2)28 led to the tubular packing of the molecules, as has been observed previously for related thio‐ and selenoether rings. The nature of the intermolecular interactions was explored by solid‐state PBE0‐D3/pob‐TZVP calculations involving periodic boundary conditions. The packing of molecules in 1,7,13,19‐Te4(CH2)20, 1,8,15,22‐Te4(CH2)24, and 1,9,17,25‐Te4(CH2)…