Quantum chemical studies on protonation of some substituted thiazole derivatives

The acidity constants, pK(a) values for protonation of some substituted thiazole derivatives were calculated by using AM1 and PM3 basis sets of semi-empirical methods and B3LYP/6-31G(d) basis sets of density functional theory (DFT) calculated physical and thermodynamic parameters. Correlation search among the experimental and calculated acidity constants, pK(a) values, revealed that the best correlation exist between the experimental and ab initio calculated pK(a) values with a regression of R(2)=0.98.     

How do designers represent to themselves the users' needs?

This paper reports on an ergonomic study carried out during the design of a cutting machine-tool for the composite material in carbody parts casting. During this design process, the users’ needs were inferred by the designers on the basis of their own mental representations of the use of the new device. These representations of the users’ needs, correct or false, play a decisive role in the choice of a solution. The aim of the study is to identify their particularity. Analyzing the design meetings, we have highlighted that users are considered either as subsystems or basic design principles or elements of an imagined scenario. We have shown that these representations are linked to the types of meetings held during the design process. Accordingly, a diversification of the types of meetings should be promoted by the project leader, so that designers extend their points of view of the operators.     

A collaborative platform for cognitive decision making in the Knowledge Society

Two key aspects of the Knowledge Society are the interconnection between the actors involved in the decision making processes and the importance of the human factor, particularly the citizen’s continuous learning and education. This paper presents a new module devoted to knowledge extraction and diffusion that has been incorporated into a previously developed decision making tool concerning the Internet and related with the multicriteria selection of a discrete number of alternatives (PRIOR-Web). Quantitative and qualitative procedures using data and text mining methods have been employed in the extraction of knowledge. Graphical visualisation tools have been incorporated in the diffusion stage of the methodological approach suggested when dealing with decision making in the Knowledge Society. The resulting collaborative platform is being used as the methodological support for the cognitive democracy known as e-cognocracy.     

Estimating the Natural Illumination Conditions from a Single Outdoor Image

Given a single outdoor image, we present a method for estimating the likely illumination conditions of the scene. In particular, we compute the probability distribution over the sun position and visibility. The method relies on a combination of weak cues that can be extracted from different portions of the image: the sky, the vertical surfaces, the ground, and the convex objects in the image. While no single cue can reliably estimate illumination by itself, each one can reinforce the others to yield a more robust estimate. This is combined with a data-driven prior computed over a dataset of 6 million photos. We present quantitative results on a webcam dataset with annotated sun positions, as well as quantitative and qualitative results on consumer-grade photographs downloaded from Internet. Based on the estimated illumination, we show how to realistically insert synthetic 3-D objects into the scene, and how to transfer appearance across images while keeping the illumination consistent.     

Effective Tension Active Cross-Section of Reinforced Concrete Beams After Cracking

In the design of concrete structures, estimation of the deflection of the structural members under the service loads is often a critical factor. Strains and displacements are linked to the tension stiffening effect, which is not quantified in the standards. The CEB-FIP model code proposes an interesting simplified method for evaluating the concrete tension stiffening effect on reinforced concrete behavior. One of the parameters which enables the mechanical contribution of the concrete to be quantified is the effective tensile active section of the reinforced concrete beams. In this paper, a new method for calculating the effective tensile active section A _ct.ef is proposed. The calculation is based on an analytical model of stress distribution in the full depth of the concrete section. An experimental study on several reinforced concrete beams is reported. The results show that the new proposed model enhances the accuracy of the beam deflection predictions significantly.     

Linking Organizational Resources and Work Engagement to Employee Performance and Customer Loyalty: The Mediation of Service Climate.

This study examined the mediating role of service climate in the prediction of employee performance and customer loyalty. Contact employees (N=342) from 114 service units (58 hotel front desks and 56 restaurants) provided information about organizational resources, engagement, and service climate. Furthermore, customers (N=1,140) from these units provided information on employee performance and customer loyalty. Structural equation modeling analyses were consistent with a full mediation model in which organizational resources and work engagement predict service climate, which in turn predicts employee performance and then customer loyalty. Further analyses revealed a potential reciprocal effect between service climate and customer loyalty. Implications of the study are discussed, together with limitations and suggestions for future research. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Calculations of the Elastic Scattering Properties of Ultra-cold Francium Isotopes

The calculations of the elastic scattering properties of ultra-cold francium isotopes are reported in detail. A parametric model potential for the triplet molecular states of the Fr₂ is represented, and the scattering lengths a_t and the effective range r_e are calculated using WKB and Numerov methods for Fr--Fr in the triplet state. The convergence of these scattering properties depending on a K⁰ parameter and core radius is also investigated using two methods: Quantum Defect Theory and analytical formula of Symskoviski.     

Stochastic stabilization of differential systems with general decay rate

Some sufficient conditions concerning stability of solutions of stochastic differential evolution equations with general decay rate are first proved. Then, these results are interpreted as suitable stabilization ones for deterministic and stochastic systems. Also, they permit us to construct appropriate linear stabilizers in some particular situations.