Interest in microelectromechanical systems (MEMS) has experienced explosive growth during the past few years. Such small devices typically have characteristic size ranging from 1 mm down to 1 micron, and may include sensors, actuators, motors, pumps, turbines, gears, ducts and valves. Microdevices often involve mass, momentum and energy transport. Modeling gas and liquid flows through MEMS may ...

Intact farnesyl (31R)-bacteriochlorophyll (BChl) c in carbon tetrachloride forms a stable dimer at room temperature characterized by two resonances resolved for each individual proton in the NMR spectrum and by a long wavelength shift of the Qy absorption band to 710 nm. All the proton resonances are precisely assigned on the basis of two-dimensional H-C and H-H correlation experiments. Authent...

In traditional molecular mechanics force fields, intramolecular non-bonded interactions are modelled as intermolecular interactions, and the form of the torsion potential is based on the conformational profiles of small organic molecules. We investigate how a separate model for the intramolecular forces in pharmaceuticals could be more realistic by analysing the low barrier to rotation of the p...

A new molecular dynamics model in which the point charges on atomic sites are allowed to fluctuate in response to the environment is developed and applied to water. The idea for treating charges as variables is based on the concept of electronegativity equalization according to which: (a) the electronegativity of an atomic site is dependent on the atom’s type and charge and is perturbed by the ...

Bacterial inclusion bodies, while showing intriguing amyloid-like features, such as a beta-sheet-based intermolecular organization, binding to amyloid-tropic dyes, and origin in a sequence-selective deposition process, hold an important amount of native-like secondary structure and significant amounts of functional polypeptides. The aggregation mechanics supporting the occurrence of both misfol...

Schemes of increasing sophistication for obtaining free energies of binding have been developed over the years, where configurational sampling is used to include the all-important entropic contributions to the free energies. However, the quality of the results will also depend on the accuracy with which the intermolecular interactions are computed at each molecular configuration. In this contex...

contact mechanics is related to the deformation study of solids that meet each other at one or more points. the physical and mathematical formulation of the problem is established upon the mechanics of materials and continuum mechanics and focuses on computations involving bodies with different characteristics in static or dynamic contact. contact mechanics gives essential information for the s...

the aim of the present paper is to sbo» that anti-realism in science, 1vhich has a1;guab/y become more fashionable in recentyears, contrary to tuha: its proponents assert, cannot make use of quantum mechanics and its impressiue achievements as a frump card in justifying its claims. i will argue that scientific anti-realism far from providing scientific communiry with a progressive methodologica...