Theoretical Investigation of Internal Rotation Barriers of 4-(Dimethylaminocinnamaldehyde)

Theoretical study on 4-dimethylaminocinnamaldehyde was done analyzing the barriers of rotation and interpretation of its Raman spectrum. B3LYP Density functional with basis sets up to 6-31G ** with additional f and d functions on C, N, O, and H respectively, calculations were performed. Results indicate trans conformation of the molecule had the lowest energy. Vibrational modes of interest were noted around 500, 1192, 1263, 1316, 1547, and 1608 cm-1. Observed strong enhancement at noted frequencies can be further studied in determining the molecule with other subatomic particles (Ag colloids)

Phase lagging model of brain response to external stimuli - modeling of single action potential

In this paper we detail a phase lagging model of brain response to external stimuli. The model is derived using the basic laws of physics like conservation of energy law. This model eliminates the paradox of instantaneous propagation of the action potential in the brain. The solution of this model is then presented. The model is further applied in the case of a single neuron and is verified by simulating a single action potential. The results of this modeling are useful not only for the fundamental understanding of single action potential generation, but also they can be applied in case of neuronal interactions where the results can be verified against the real EEG signal.Comment: 19 page

Boundary-induced phase transitions in a space-continuous traffic model with non-unique flow-density relation

The Krauss-model is a stochastic model for traffic flow which is continuous in space. For periodic boundary conditions it is well understood and known to display a non-unique flow-density relation (fundamental diagram) for certain densities. In many applications, however, the behaviour under open boundary conditions plays a crucial role.In contrast to all models investigated so far, the high flow states of the Krauss-model are not metastable, but also stable. Nevertheless we find that the current in open systems obeys an extremal principle introduced for the case of simpler discrete models. The phase diagram of the open system will be completely determined by the fundamental diagram of the periodic system through this principle. In order to allow the investigation of the whole state space of the Krauss-model, appropriate strategies for the injection of cars into the system are needed.Two methods solving this problem are discussed and the boundary-induced phase transitions for both methods are studied.We also suggest a supplementary rule for the extremal principle to account for cases where not all the possible bulk states are generated by the chosen boundary conditions.Comment: 12 Pages, 14 figure