The study of pectin methylesterase and wall-loosening enzyme activities in situ, as well as the estimation of the electrostatic potential of the cell wall, suggest a coherent picture of the role played by metal ions and pH in cell-wall extension. Cell-wall growth brings about a decrease of local proton concentration because the electrostatic potential difference (delta psi) of the wall decrease...

The molecular electrostatic potential and steric accessibility of A-DNA are computed for base sequences (dG.dC)n and (dA.dT)n. An interpretation of the results in terms of the structure of A-DNA is provided and differences with respect to other forms of DNA, namely B-DNA and Z-DNA, are discussed.

A liquid is composed of an ensemble of molecules that populate a large number of different states, so calculation of the solvation energy of a molecule in solution requires a method for summing the interactions with the environment over all of these states. The surface site interaction model for the properties of liquids at equilibrium (SSIMPLE) simplifies the surface of a molecule to a discret...

Abstract We describe the procedure within transfer matrix formalism to obtain the solution of nonlinear charge particle motion equation in the electrostatic fields (with axis-symmetrical potential) up to third-order aberrations.

The description of molecular systems using multipolar electrostatics calls for automated methods to fit the necessary parameters. In this paper, we describe an open-source software package that allows fitting atomic multipoles (MTPs) from the ab initio electrostatic potential by adequate atom typing and judicious assignment of the local axis system. By enabling the simultaneous fit of several m...

A Southwest Electrostatic Sprayers, Inc., nozzle was configured to a Hudson PortaPak backpack. A test was run to compare deposition of BVA no. 13 oil by the electrostatic nozzle to a standard nonelectrostatic nozzle as collected by Teflon slides. Results indicate that 100% greater deposition occurred with the electrostatic nozzle.

The thermodynamic potential for fixed charges in dielectric continua is given for arbitrary values of the polarization density. Minimization of the functional gives the equilibrium polarization density ~equivalently image charges! and the electrostatic potential throughout the media. The functional, which in general involves volume integrals, for the case of piecewise uniform dielectrica is red...

We test the concepts of renormalized charge and potential saturation, introduced within the framework of highly asymmetric Coulomb mixtures, on exactly solvable Coulomb models. The object of study is the average electrostatic potential induced by a unique “guest” charge immersed in a classical electrolyte, the whole system being in thermal equilibrium at some inverse temperature β. The guest ch...

A spatially modulated Dirac gap in a graphene sheet leads to charge confinement, thus enabling a graphene quantum dot to be formed without the application of external electric and magnetic fields [G. Giavaras and F. Nori, Appl. Phys. Lett. 97, 243106 (2010)]. This can be achieved provided the Dirac gap has a local minimum in which the states become localized. In this work, the physics of such a...