Search results for " function"

A categorization and executive functions approach of food rejection in young children

2021

Food neophobia and pickiness are two strong psychological obstacles to young children’s consumption of fruits and vegetables, which are necessary components of a diet that facilitates normal and healthy development. It is therefore of critical importance to investigate the cognitive underpinnings of these two kinds of food rejection to promote the adoption of healthy eating behaviors. Food acceptance and rejection appear to be partly conditioned by children’s knowledge of the food domain. Knowledge allows children to recognize a given food, categorize it, and make inference-based decisions on its properties and possible consequences of consumption. Underdeveloped knowledge may cause food st…

Unveiling the Intramolecular Ionic Diels–Alder Reactions within Molecular Electron Density Theory

2021

The intramolecular ionic Diels–Alder (IIDA) reactions of two dieniminiums were studied within the Molecular Electron Density Theory (MEDT) at the ωB97XD/6-311G(d,p) computational level. Topological analysis of the electron localization function (ELF) of dieniminiums showed that their electronic structures can been seen as the sum of those of butadiene and ethaniminium. The superelectrophilic character of dieniminiums accounts for the high intramolecular global electron density transfer taking place from the diene framework to the iminium one at the transition state structures (TSs) of these IIDA reactions, which are classified as the forward electro density flux. The activation enthalpy ass…

On thermoeconomics of energy systems at variable load conditions: integrated optimization of plant design and operation

2007

Abstract Thermoeconomics has been assuming a growing role among the disciplines oriented to the analysis of energy systems, its different methodologies allowing solution of problems in the fields of cost accounting, plant design optimisation and diagnostic of malfunctions. However, the thermoeconomic methodologies as such are particularly appropriate to analyse large industrial systems at steady or quasi-steady operation, but they can be hardly applied to small to medium scale units operating in unsteady conditions to cover a variable energy demand. In this paper, the fundamentals of thermoeconomics for systems operated at variable load are discussed, examining the cost formation process an…

The Administration of Exogenous Surfactant during Cold Preservation Can Improve Pulmonary Function after Lung Transplantation in a Swine Model of Pro…

2012

Molecular profiling and function of exosomes derived from Non-Small Cell Lung Cancer. Diagnostic, predictive and prognostic biomarkers.

2019

Abstract: abstract not available

Mechanisms of covalent dimerization on a bulk insulating surface

2017

Combining density functional theory and high resolution NC-AFM experiments, we have studied the on surface reaction mechanisms' responsible for the covalent dimerization of 4-iodobenzoic acid (IBA) organic molecules on the calcite (10.4), insulating surface. When annealed at 580 K, the Molecules assemble in one-dimensional chains of covalently bound dimers: The chains have a unique orientation and result from a complex set of processes, including a nominally rather. costly double dehalogenation reaction followed by dimerization. First, focusing on the latter two processes and using the nudged elastic band method, we analyze a number of possible mechanisms involving one and two molecules, an…

Splitting of surface-related phonons in Raman spectra of self-assembled GaN nanowires

2012

cited By 2; International audience; Micro Raman spectroscopy studies have been performed on GaN nanowires grown by Plasma-Assisted Molecular Beam Epitaxy on Silicon (111) substrate. From the analysis of experimental data, the emergence of a two peaks band located near 700 cm-1 has been attributed to the Raman scattering by surface-related phonons. We have analyzed the surface character of these two modes by changing the dielectric constant of the exterior medium and some experimental parameters. Furthermore, a theoretical model describing the nanowires ensemble by means of an effective dielectric function has been used to interpret the Raman scattering results. Those numerical simulations a…

Toward tailorable surfaces: a combined theoretical and experimental study of lanthanum niobate layered perovskites.

2014

A comprehensive theoretical investigation of the MLaNb2O7 (M = H, Li, Na, K, Rb, and Cs) series of ion-exchangeable layered perovskite is presented. These perovskites are in particular interesting in view of their potential applications as inorganic supports for the design of new hybrid inorganic-organic proton conductors. In particular, their structural and electronic properties have been investigated by periodic calculations in the framework of Density Functional Theory, using different exchange-correlation functionals. A general very good agreement with the available experimental (XRD, NPD, and EXAFS) data has been found. The structure of the protonated HLaNb2O7 form has also been furthe…

Extensions of positive linear functionals on a *-algebra

2010

The family of all extensions of a nonclosable hermitian positive linear functional defined on a dense *-subalgebra $\Ao$ of a topological *-algebra $\A[\tau]$ is studied with the aim of finding extensions that behave regularly. Under suitable assumptions, special classes of extensions (positive, positively regular, absolutely convergent) are constructed. The obtained results are applied to the commutative integration theory to recover from the abstract setup the well-known extensions of Lebesgue integral and, in noncommutative integration theory, for introducing a generalized non absolutely convergent integral of operators measurable w. r. to a given trace $\sigma$.

A comparison of three statistical methods for analysing extinction threat status

2013

SUMMARYThe International Union for Conservation of Nature (IUCN) Red List provides a globally-recognized evaluation of the conservation status of species, with the aim of catalysing appropriate conservation action. However, in some parts of the world, species data may be lacking or insufficient to predict risk status. If species with shared ecological or life history characteristics also tend to share their risk of extinction, then ecological or life history characteristics may be used to predict which species may be at risk, although perhaps not yet classified as such by the IUCN. Statistical models may be a means to determine whether there are non-threatened or unclassified species that s…