Search results for "FUNCTIONAL"
showing 10 items of 4822 documents
Selectivity in Propene Dehydrogenation on Pt and Pt3Sn Surfaces from First Principles
2013
Propene can be produced via dehydrogenation of propane on Pt-based catalysts; however, the catalysts are plagued by low selectivity toward propene and high coke formation. The selectivity can be improved and the coke formation reduced by alloying Pt with Sn. The alloying is known to weaken the binding of propene, which in part explains the improved performance. We conducted density functional theory calculations to study the dehydrogenation of propene on flat and stepped Pt and Pt3Sn surfaces. The steps on Pt dehydrogenate propene readily, whereas, on Pt3Sn, the steps are inert because they are decorated with Sn. Our results indicate that the high selectivity and low coking on the Pt–Sn cat…
Long time behavior for a dissipative shallow water model
2013
We consider the two-dimensional shallow water model derived by Levermore and Sammartino (Nonlinearity 14,2001), describing the motion of an incompressible fluid, confined in a shallow basin, with varying bottom topography. We construct the approximate inertial manifolds for the associated dynamical system and estimate its order. Finally, considering the whole domain R^2 and under suitable conditions on the time dependent forcing term, we prove the L^2 asymptotic decay of the weak solutions.
Immunfluorescence study of neuropeptides in identified neurons of the rat auditory superior olivary complex.
1999
The present study was conducted to investigate the distribution and immunohistochemical characteristics of ascending and descending projection neurons of the rat superior olivary complex (SOC), a group of interrelated brainstem nuclei. Ascending neurons were identified by injection of cholera toxin B subunit (CTB) into the central nucleus of the inferior colliculus (IC), descending neurons were labeled by application of Fluoro-Gold (FG) into the scala tympani of the cochlea, ipsilaterally to the IC injection. In accordance with the literature, we observed neurons innervating the IC located in the lateral superior olivary nucleus (LSO) and dorsal periolivary groups (DPO) on both sides, in th…
Hsp60 chaperonopathies and chaperonotherapy: targets and agents
2014
Hsp60 (Cpn60) assembles into a tetradecamer that interacts with the co-chaperonin Hsp10 (Cpn10) to assist client polypeptides to fold, but it also has other roles, including participation in pathogenic mechanisms.Hsp60 chaperonopathies are pathological conditions, inherited or acquired, in which the chaperone plays a determinant etiologic-pathogenic role. These diseases justify selection of Hsp60 as a target for developing agents that interfere with its pathogenic effects. We provide information on how to proceed.The information available encourages the development of ways to improve Hsp60 activity (positive chaperonotherapy) when deficient or to block it (negative chaperonotherapy) when pa…
Efficacy of a functional therapy program for depression and c-reactive protein: A pilot study
2021
Objective: Affecting more than 264 million people, depression is a systemic and multifactorial disorder that represents one of the leading causes of illness and disability worldwide. Several studies showed an inflammatory response in depressed patients, including the involvement of both chronic low-grade inflammatory response and activation of cell-mediated immunity. The present study aimed to verify the efficacy of a structured functional therapy program for patients with depressed mood, and to determine whether this program can significantly reduce levels of C-reactive protein. Method: 28 outpatients with depressed mood received 20 individual sessions of Functional therapy. Data about soc…
Delay-dependent exponential stabilization of positive 2D switched state-delayed systems in the Roesser model
2014
This paper deals with the controller synthesis for a class of positive two-dimensional (2D) switched delay systems described by the Roesser model. This kind of systems has the property that the states take nonnegative values whenever the initial boundaries are nonnegative, some delay-dependent sufficient conditions for the exponential stability of positive 2D switched systems with state delays are given. Furthermore, the design of positive state feedback controller under which the resulting closed-loop system meets the requirements of positivity and exponential stability is presented in terms of linear matrix inequalities (LMIs). An example is included to illustrate the effectiveness of the…
Semantic retrieval: an approach to representing, searching and summarising text documents
2011
Nowadays, the internet is the major source of information for millions of people. There are many search tools available on the net but finding appropriate text information is still difficult. The retrieval efficiency of the presently used systems cannot be significantly improved: ‘bag of words’ interpretation causes losing semantics of texts. We applied the functional approach to represent English text documents. It allows taking into account semantic relations between words when indexing documents and use ordinary English sentences as queries to a search engine. The proposed retrieval mechanisms return only highly relevant documents. They make it possible to generate content-aware summarie…
Regional Susceptibility in VCD Spectra to Dynamic Molecular Motions
2018
Experimental and theoretical studies of the vibrational circular dichroism (VCD) spectrum of 3-methyl-1-(methyldiphenlsilyl)-1-phenylbutan-1-ol, whose absolute configuration is key to elucidating the Brook rearrangement of tertiary benzylic α-hydroxylsilanes, are presented. It is found that the entire OH-bending region in this spectrum—a region that provides important marker bands—cannot be reproduced at all by standard theoretical approaches even though other regions are well described. Using a novel approach to disentangle contributions to the rotational strength of these bands, internal coordinates are identified that critically influence the appearance of this part of the spectrum. We s…
Vibrational Sum Frequency Generation Spectroscopy of the Water Liquid–Vapor Interface from Density Functional Theory-Based Molecular Dynamics Simulat…
2013
International audience; The vibrational sum frequency generation (VSFG) spectrum of the water liquid-vapor (LV) interface is calculated using density functional theory-based molecular dynamics simulations. The real and imaginary parts of the spectrum are in good agreement with the experimental data, and we provide an assignment of the SFG bands according to the dipole orientation of the interfacial water molecules. We use an instantaneous definition of the surface, which is more adapted to the study of interfacial phenomena than the Gibbs dividing surface. By calculating the vibrational (infrared, Raman) properties for interfaces of varying thickness, we show that the bulk spectra signature…
Spectroscopic and theoretical study of push-pull chromophores containing thiophene-based quinonoid structures as electron spacers
2003
Donor−acceptor chromophores containing three different types of thiophene-based electron spacers and the same donor (1,3-dithiol-2-ylidene) and acceptor (dicyanomethylene) end groups have been investigated by infrared and vis-near-IR absorption spectroscopies with the aim of elucidating the ability of the heteroquinonoid spacers as electron transmitters. Density functional theory calculations have been carried out, both within the standard and the time-dependent formalisms, to assign the most relevant electronic and infrared features of these chromophores and to assess useful information about their molecular structures. Both theoretical calculations and vibrational spectra demonstrate the …