encapsulation of bioactive ingredient and production of nano carriers in order to food enrichment and production of functional food is one of the applications of nano technology in food science and pharmaceutical. nano carriers are produced using biopolymers (proteins and polysaccharids) or lipid based materials. in this research, production and characterization of pectin-casein nanocomplexes a...

The Poisson-Boltzmann (PB) equation is an established multiscale model for electrostatic analysis of biomolecules and other dielectric systems. PB based molecular dynamics (MD) approach has a potential to tackle large biological systems. Obstacles that hinder the current development of PB based MD methods are concerns in accuracy, stability, efficiency and reliability. The presence of complex s...

The electrostatic potential of an enzyme is a key determinant of its substrate interactions and catalytic turnover. Here we invoke comparative analysis of protein electrostatic potentials, along with sequence and structural analysis, to classify and characterize all the enzymes in an entire pathway across a set of different organisms. The electrostatic potentials of the enzymes from the glycoly...

We describe an Ewald-summation method to incorporate long-range electrostatic interactions into fragment-based electronic structure methods for periodic systems. The present method is an extension of the particle-mesh Ewald technique for combined quantum mechanical and molecular mechanical (QM/MM) calculations, and it has been implemented into the explicit polarization (X-Pol) potential to illu...

The electrostatic potential resulting from a metallic probe tip near a semiconductor is examined. A solution is formulated assuming circular symmetry and using prolate spheroidal coordinates in the vacuum and Cartesian coordinates in the semiconductor. The result is most directly applied to the case of a hyperbolic probe tip, but other shapes (for example, a small hemispherical protrusion on th...

Introduction: The surface of the Moon, like any object in a plasma, charges to an electrostatic potential that minimizes the total incident current [1]. The charging currents come from four main sources: photoemission of electrons (Jph), plasma electrons (Je), plasma ions (Ji), and secondary electrons (Jsec). (Jsec arises primarily from surface ionization by plasma electrons.) The lunar dayside...

Multipole expansions offer a natural path to coarse-graining the electrostatic potential. However, the validity of the expansion is restricted to regions outside a spherical enclosure of the distribution of charge and, therefore, not suitable for most applications that demand accurate representation at arbitrary positions around the molecule. We propose and demonstrate a distributed multipole e...

This work concerns a comparison of experimental and theoretical results of the electron charge density distribution and the electrostatic potential around the m-nitrophenol molecule (m-NPH) known for its interesting physical characteristics. The molecular experimental results have been obtained from a high-resolution X-ray diffraction study. Theoretical investigations were performed using the D...

An electrostatic potential field (EPF) path planner is combined with a two-layered fuzzy logic inference engine and implemented for real-time mobile robot navigation in a 2-D dynamic environment. The environment is first mapped into a resistor network; an electrostatic potential field is then created through current injection into the network. The path of maximum current through the network cor...

Measurements of the Casimir force require the elimination of the electrostatic force between the surfaces. However, due to electrostatic patch potentials, the voltage required to minimize the total force may not be sufficient to completely nullify the electrostatic interaction. Thus, these surface potential variations cause an additional force, which can obscure the Casimir force signal. In thi...