Interaction Energy Based Protein Structure Networks

The three dimensional structure of a protein is formed and maintained by the noncovalent interactions among the amino acid residues of the polypeptide chain These interactions can be represented collectively in the form of a network So far such networks have been investigated by considering the connections based on distances between the amino acid residues Here we present a method of constructing the structure network based on interaction energies among the amino acid residues in the protein We have investigated the properties of such protein energy based networks (PENs) and have shown correlations to protein structural features such as the clusters of residues involved in stability formation of secondary and super secondary structural units Further we demonstrate that the analysis of PENs in terms of parameters such as hubs and shortest paths can provide a variety of biologically important information such as the residues crucial for stabilizing the folded units and the paths of communication between distal residues in the protein Finally the energy regimes for different levels of stabilization in the protein structure have clearly emerged from the PEN analysis

A comparative study of the interaction of nickel clusters with buckminsterfullerene, C60, and graphite

Interaction of nickel deposited on multilayer films of C60 has been investigated in comparison with that on amorphized graphite by employing photoemission spectroscopy. It is shown that unlike with graphite, Ni interacts strongly with C60 causing large changes in C(1s) and C(2p) binding energies. The increase in the Ni(2p) binding energy at small Ni coverages is also far greater on c60 than on graphite.

An electron spectroscopic study of the adsorption of nitrogen on a Ni/TiO2 catalyst prepared in situ in the spectrometer: evidence for dissociative adsorption in the strong-metal-support-interaction (SMSI) state

Nitrogen is dissociatively adsorbed on an annealed Ni/TiO2 surface just as on a Ti–Ni alloy surface while it is molecularly adsorbed on a Ni/Al2O3 surface.

Vehicle Routing Problem with Load Compatibility Constraints

The major contribution of this paper is to introduce load compatibility constraints in the mathematical model for the capacitated vehicle routing problem with pickup and deliveries. The employee transportation problem in the Indian call centers and transportation of hazardous materials provided the motivation for this variation. In this paper we develop a integer programming model for the vehicle routing problem with load compatibility constraints. Specifically two types of load compatability constraints are introduced, namely mutual exclusion and conditional exclusion. The model is demonstrated with an application from the employee transportation problem in the Indian call centers.

Optimal explicit guidance of multistage launch vehicle along three-dimensional trajectory

Details of an efficient optimal closed-loop guidance algorithm for a three-dimensional launch are presented with simulation results. Two types of orbital injections, with either true anomaly or argument of perigee being free at injection, are considered. The resulting steering-angle profile under the assumption of uniform gravity lies in a canted plane which transforms a three-dimensional problem into an equivalent two-dimensional one. Effects of thrust are estimated using a series in a recursive way. Encke's method is used to predict the trajectory during powered flight and then to compute the changes due to actual gravity using two gravity-related vectors. Guidance parameters are evaluated using the linear differential correction method. Optimality of the algorithm is tested against a standard ground-based trajectory optimization package. The performance of the algorithm is tested for accuracy, robustness, and efficiency for a sun-synchronous mission involving guidance for a multistage vehicle that requires large pitch and yaw maneuver. To demonstrate applicability of the algorithm to a range of missions, injection into a geostationary transfer orbit is also considered. The performance of the present algorithm is found to be much better than others.

Interaction of flux tubes with sound waves

The Landau damping of sound waves in a plasma consisting of ensemble of magnetic flux tubes is discussed. It is shown that sound waves cannot be Landau damped in general but under certain restricted conditions on plasma parameters the possibility of absorption of these waves can exist. The possibility of radiative damping of the acoustic waves along the magnetic filaments is also discussed. It appears that the most plausible mechanism of damping of sound waves in a plasma consisting of magnetic filaments can be due to scattering of a sound wave by the filaments.

A photoelastic approach to framed structure-foundation beam-soil interaction

The interaction of a framed structure with a foundation beam resting on an elastic medium, representing the soil, has been studied using the photoelastic method. The contact pressure distribution, the fibre stress in the foundation beam and frame structure, as well as the stresses in the elastic medium, have been obtained. These have been compared with theoretical results obtained by idealizing the soil as (a) elastic half plane, and (b) elastic half space. It is shown that the photoelastic method can provide an easy solution to this type of problem if the soil can be idealized as an elastic continuum.

A Photoelectron Spectroscopic Study Of The Interaction Of Oxygen, Nitrogen And Transition-Metals With C-60 Films

Evidence is presented for the strong interaction of oxygen and nitrogen with solid films of buckminsterfullerene based on core-level spectroscopic studies. Cr, Ni and Cu deposited on C60 films interact strongly giving rise to large changes in the C(Is) and C(2p) binding energies as well as the (2p) binding energies of the transition metals.