A dielectric continuum theory for the solvation of a polar molecule in a polar, polarizable solvent is tested using computer simulations of formaldehyde in water. Many classes of experiments, for example those which measure solvent-shifted vertical transition energies or electron transfer rates, require an explicit consideration of the solvent electronic polarization. Due to the computational c...

The treatment of hydration effects in protein dynamics simulations varies in model complexity and spans the range from the computationally intensive microscopic evaluation to simple dielectric screening of charge-charge interactions. This paper compares different solvent models applied to the problem of estimating the free-energy differencebetween two loop conformations in acetylcholinesterase....

The dielectric properties, consisting of the dielectric constant (epsilon') and loss factor (epsilon''), were measured with an open-ended coaxial-line probe and impedance analyzer for uncooked broiler breast muscle pectoralis major and pectoralis minor, deboned at 2- and 24-h postmortem, over the frequency range from 10 to 1,800 MHz at temperatures ranging from 5 to 85 degrees C. The dielectric...

The ground state electronic configuration of semiconductor spherical quantum dots populated with different numbers of excess electrons, for different radii and dielectric constants of the embedding medium is calculated and the corresponding phase diagram drawn. To this end, an extension of the spin density functional theory to study systems with variable effective mass and dielectric constant i...

In this paper we have focused on the dielectric constant effect between various solvents with theoretical modelin the biochemical process. Thereby, AAA, UUU, AAG and UUC triplex sequences have been optimized inwater, methanol, ethanol and DMSO with proposed SCRF Model of theory. The solvation of biomolecules isimportant in molecular biology since numerous processes involve to interacting a prot...

The thermodynamic properties of water are of fundamental importance to perform geochemical, reservoir and production engineering calculations in the geothermal industry. Using the IAPWS-95 formulation an ActiveX component, SteamTablesIIE is developed to calculate thermodynamic properties of pure water as a function of two independent intensive variables: (1) temperature (T) or pressure (P) and ...

Macromolecular crowding within the cell can impact both protein folding and binding. Earlier models of cellular crowding focused on the excluded volume, entropic effect of crowding agents, which generally favors compact protein states. Recently, other effects of crowding have been explored, including enthalpically-related crowder-protein interactions and changes in solvation properties. In this...

the oil-paper insulation is a type of an inexpensive combination insulation system in oil-filled power transformers. in this study the dielectric and strength properties of canola oil and mineral oil impregnated hand-sheet papers were investigated. all hand sheets were made of unbleached bagasse soda pulp with two different freeness levels of 200 ± 25 ml, csf and 400± 25 ml,csf. after drying th...

Implicit methods for modeling protein electrostatics require dielectric properties of the system to be known, in particular, the value of the dielectric constant of protein. While numerous values of the internal protein dielectric constant were reported in the literature, still there is no consensus of what the optimal value is. Perhaps this is due to the fact that the protein dielectric consta...

We study squeezed states of phonons, which allow a reduction in the quantum fluctuations of the atomic displacements to below the zero-point quantum noise level of coherent phonon states. We investigate the generation of squeezed phonon states using a second-order Raman scattering process. We calculate the expectation values and fluctuations of both the atomic displacement and the lattice ampli...