Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to power factor low ZT figure of merit. In this work we show that the presence strong transport asymmetries between conduction valence bands can allow phonon-limited finite coefficient values, largely enhanced factors. Th...

The characterization of electrostatic and chemical properties at the surface of biological macromolecules is of interest in elucidating the fundamental biological structure-function relationships as well as in problems of rational drug design. This paper presents a set of macromolecular quantum descriptors for the characterization of biological macromolecules in solution that can be obtained wi...

11 12 Abstract 13 The approach presented herein reports the application of a voltammetric electronic 14 tongue (ET), in contrast with a wine tasting sensory panel, as a tool for standardized 15 wine tasting; concretely, to achieve the discrimination of different wine DOs 16 (Denominación de Origen, a mark related to its geographical region and ensuring 17 specific quality levels) and the predic...

Our study performed upon an extended series of 28 compounds of 1,2,4-triazole derivatives that demonstrate substantial in vitro antimicrobial activities by serial plate dilution method, using quantitative structure-activity relationship (QSAR) methods that imply analysis of correlations and multiple linear regression (MLR); a significant collection of molecular descriptors was used e.g., Edge a...

This paper proposes novel descriptors that integrate information from multiple views of a 3D object, called Temporal Ensemble of Shape Functions (TESF) descriptors. The TESF descriptors are built by combining per-view Ensemble of Shape Functions (ESF) descriptors with Spatio-Temporal Appearance (STA) descriptors. ESF descriptors provide a compact representation of ten different shape functions ...

Electronic commerce appeared as a new way of managing businesses in the digital era. However, it has also been accelerated by recent pandemic situation. Retailers had to find strategies reaching customers online environment. Thus, concepts such multi-channel and omni-channel retailing have gained attention both retailers researchers this field. This paper aims at using text-mining approach orde...

In this work the electrooxidation half-wave potentials of some Benzoxazines were predicted from their structural molecular descriptors by using quantitative structure-property relationship (QSAR) approaches. The dataset consist the half-wave potential of 40 benzoxazine derivatives which were obtained by DC-polarography. Descriptors which were selected by stepwise multiple selection procedure ar...