We consider the inverse problem of reconstructing thin tubular inclusions inside a three-dimensional body from measurements of electrostatic currents and potentials on its boundary. By inclusions we mean objects with an electrical conductivity differing from that of the background material of the body. We apply an asymptotic expansion of the electrostatic potential on the boundary of the body a...

The black-eyed pea trypsin and chymotrypsin inhibitor (BTCI) is a member of the Bowman-Birk protease inhibitor (BBI) family. The three-dimensional model of the BTCIchymotrypsin complex was built based on the homology to Bowman-Birk inhibitors with known structures. An extensive theoretical and experimental study of these known structures has been performed. The model confirms the ideas about Bo...

Evaluation of the electrostatic properties of biomolecules has become a standard practice in molecular biophysics. Foremost among the models used to elucidate the electrostatic potential is the Poisson-Boltzmann equation; however, existing methods for solving this equation have limited the scope of accurate electrostatic calculations to relatively small biomolecular systems. Here we present the...

Electrostatic forces are amongst the most versatile interactions to mediate the assembly of nanostructured materials. Depending on experimental conditions, these forces can be long- or short-ranged, can be either attractive or repulsive, and their directionality can be controlled by the shapes of the charged nano-objects. This Review is intended to serve as a primer for experimentalists curious...

Pyrazine derivatives are important class of compounds with diverse biological and cytotoxic activities and clinical applications. In this study, B3 p 86 / 6 - 31 (+ +) G * was used to compute and map the molecular surface electrostatic potentials of a group of substituted amides of pyrazine-2-carboxylic acids to identify common features related to their subsequent cytotoxicities. Several statis...

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in this paper, the stability of a functionally graded magneto-electro-elastic (fg-mee) micro-beam under actuation of electrostatic pressure is studied. for this purpose euler-bernoulli beam theory and constitutive relations for magneto-electro-elastic (mee) materials have been used. we have supposed that material properties vary exponentially along the thickness direction of the micro-beam. gov...

a quantum chemical investigation was carried out to study the properties of intermolecular f•••f, br•••br and br•••o interactions in crystalline 1-bromo-2,3,5,6-tetrafluoro-nitrobenzene (bfnb). this system was selected to mimic the halogen-halogen as well as halogen bonding interactions found within crystal structures as well as within biological systems. we found that fluorine atoms have weak ...

Atomic force microscopy was used to measure the forces between a silica probe and a carboxylic acidterminated self-assembledmonolayer (SAM) onagold substrate in the presence ofKCl electrolyte solutions of different pH. Silica-silica interaction force measurements were conducted at different pH values to determine the silica probe surface electrostatic potentials under these conditions. The inte...