Search results for "Computer Science Applications"
showing 10 items of 3993 documents
Simulations of the cultured granule neuron excitability
2003
Abstract We have developed a biophysical model of a cultured rat cerebellar granule neuron and simulated its excitability under different experimental conditions. The basic excitability properties of such a small neuron; the specific action potential waveforms, the overall firing patterns induced by current stimulations, and the linear frequency-current relation, are the main model constraints. Simulations show that for a one-compartmental granule neuron model, the constraints are met using six voltage- and time-dependent ion channel types and calcium dynamics linked to BK Ca ion channel function. This kind of model of a single neuron forms a solid basis for building the increasingly more c…
A Novel Strategy to Study Electrostatic Effects in Chemical Reactions: Differences between the Role of Solvent and the Active Site of Chalcone Isomer…
2015
The electrostatic behavior of active site residues in enzyme catalysis is quite different from that of water molecules in solution. To highlight the electrostatic differences between both environments, we propose a QM/MM strategy to study the role of the environment in chemical reactions. The novelty of the present communication is that free energy surfaces are generated by means of two distinguished reaction coordinates: a solute coordinate and the electrostatic potential created by the environment. This is applied to analyze the origin of catalysis in the transformation of a chalcone into a flavanone, a Michael addition that requires the desolvation of the nucleophile.
An Adaptive Combination of Dark and Bright Channel Priors for Single Image Dehazing
2017
Dehazing methods based on prior assumptions derived from statistical image properties fail when these properties do not hold. This is most likely to happen when the scene contains large bright areas, such as snow and sky, due to the ambiguity between the airlight and the depth information. This is the case for the popular dehazing method Dark Channel Prior. In order to improve its performance, the authors propose to combine it with the recent multiscale STRESS, which serves to estimate Bright Channel Prior. Visual and quantitative evaluations show that this method outperforms Dark Channel Prior and competes with the most robust dehazing methods, since it separates bright and dark areas and …
On the Performance of Channel Assembling and Fragmentation in Cognitive Radio Networks
2014
[EN] Flexible channel allocation may be applied to multi-channel cognitive radio networks (CRNs) through either channel assembling (CA) or channel fragmentation (CF). While CA allows one secondary user (SU) occupy multiple channels when primary users (PUs) are absent, CF provides finer granularity for channel occupancy by allocating a portion of one channel to an SU flow. In this paper, we investigate the impact of CF together with CA for SU flows by proposing a channel access strategy which activates both CF and CA and correspondingly evaluating its performance. In addition, we also consider a novel scenario where CA is enabled for PU flows. The performance evaluation is conducted based on…
On the Trustworthiness of Error-Correcting Codes
2007
The use of error-correcting codes protects data against accidental or intentional errors, but to what extent can a decoded message be trusted? To answer this question, one has to take the role of the receiver. First, the maximum number of errors Lambda acceptable for decoding is fixed. With the weight distribution, the probability of false decoding can be calculated, conditioned on such a Lambda-bounded strategy. This probability is a monotonously increasing function in the channel error probability p and in the maximum number of accepted errors Lambda. Therefore, pure error detection is more trustworthy than error correction. Moreover, for sufficiently small p, codes with the lexicographic…
Thermomechanical effects in the flow of a fluid in porous media
2002
This paper deals with analysis, by methods of extended thermodynamics, of the thermomechanical effects which arise in the flow of a weakly viscous fluid in a porous medium. Under the hypothesis that the fluid fills all the interstices among the powder and that the size of the powder grains and of the interstices is much lower than a suitable characteristic length, linearized field equations are written, which include, in a natural way, terms which take into account the Dufour, Soret, and virtual mass effects. As a limiting case when the evolution time of the heat flux goes to infinite and no entropy flux is carried, the flow of liquid helium II in a porous medium is obtained.
The Effect of Taper and Apical Diameter on the Cyclic Fatigue Resistance of Rotary Endodontic Files Using an Experimental Electronic Device
2021
The aim of this study was to analyze the effect of the taper and apical diameter of nickel&ndash
Getting discriminant functions of antibacterial activity from physicochemical and topological parameters.
2001
Linear discriminant analysis has been demonstrated to be a very useful tool in the selection and design of new drugs. Up to now we have used it through the search of a topological pattern of activity. In this work our goal is to calculate a complete set of physicochemical parameters using semiempirical (quantum chemical) calculations as well as topological indices (TIs) and try to find out any discriminant function for antibacterial activity through the combined use of both types of descriptors. The physicochemical parameters, such as heat of formation, HOMO, LUMO, dipole moment, polarizability, hyperpolarizability, PM3 generated IR vibrational frequencies, etc., were calculated using PM3 H…
Nature-Inspired Effects of Naturally Occurring Trace Element-Doped Hydroxyapatite Combined with Surface Interactions of Mineral-Apatite Single Crysta…
2022
Innovative engineering design for biologically active hydroxyapatites requires enhancing both mechanical and physical properties, along with biocompatibility, by doping with appropriate chemical elements. Herein, the purpose of this investigation was to evaluate and elucidate the model of naturally occurring hydroxyapatite and the effects of doped trace elements on the function of normal human fibroblasts, representing the main cells of connective tissues. The substrates applied (geological apatites with hexagonal prismatic crystal habit originated from Slyudyanka, Lake Baikal, Russia (GAp) and from Imilchil, The Atlas Mountains, Morocco (YAp)) were prepared from mineral natural apatite wit…
Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime
2019
In this second part of our series on the recently proposed many-body expanded full configuration interaction (MBE-FCI) method, we introduce the concept of multideterminantal expansion references. Through theoretical arguments and numerical validations, the use of this class of starting points is shown to result in a focussed compression of the MBE decomposition of the FCI energy, thus allowing chemical problems dominated by strong correlation to be addressed by the method. The general applicability and performance enhancements of MBE-FCI are verified for standard stress tests such as the bond dissociations in H$_2$O, N$_2$, C$_2$, and a linear H$_{10}$ chain. Furthermore, the benefits of em…