The present work proposes a unified conceptual framework to describe and quantify the important issue of the Applicability Domains (AD) of Quantitative Structure-Activity Relationships (QSARs). AD models are conceived as meta-models micromicro designed to associate an untrustworthiness score to any molecule M subject to property prediction by a QSAR model micro. Untrustworthiness scores or "AD ...

Making use of a generalized Green’s function technique and Landauer formalism, the temperature depended current-voltage (I-V) characteristics of C60 molecule, sandwiched between two metallic electrodes are numerically investigated. In addition, the influence of the electron-phonon coupling strength on the electronic properties of the molecule is studied. The I-V characteristics of the molecule ...

electrochemical aptamer-based sensors attract a lot of interest as useful methods because of their low cost, accuracy, sensitivity, and simplicity. an electro-active redox molecule comprises the main part of the electrochemical-based sensors. ferrocene is one of the most popular redox molecule used in biosensor fabrication. but, instability of ferrocenium ion in strong nucleophilic reagents and...

Despite the significant progress in single molecule fluorescence microscopy made over the last two decades, the efficient detection of a single molecule remains a major goal with applications in chemical, biochemical and biophysical analysis [1, 2]. The phenomenon of light diffraction appears as a main physical limiting factor. Indeed, there is a huge size mismatch between a single molecule (be...

The results of this study of the effect of temperature on the respiratory mechanism of five stenothermophilic bacteria may be summarized as follows:- 1. The respiratory mechanism and its various components of the stenothermophilic bacteria were found to function at temperatures below the minimum temperature for growth of these organisms. In every case the rates of the individual reactions invol...

Established techniques for global gene expression profiling, such as microarrays, face fundamental sensitivity constraints. Due to greatly increasing interest in examining minute samples from micro-dissected tissues, including single cells, unorthodox approaches, including molecular nanotechnologies, are being explored in this application. Here, we examine the use of single molecule, ordered re...