Representation of Thermodynamic Properties of Dilute Multi-Component Solutions--Options and Constraints

The different formalisms for the representation of thermodynamic data on dilute multicomponent solutions are critically reviewed. The thermodynamic consistency of the formalisms are examined and the interrelations between them are highlighted. The options are constraints in the use of the interaction parameter and Darken's quadratic formalisms for multicomponent solutions are discussed in the light of the available experimental data. Truncatred Maclaurin series expansion is thermodynamically inconsistent unless special relations between interaction parameters are invoked. However, the lack of strict mathematical consistency does not affect the practical use of the formalism. Expressions for excess partial properties can be integrated along defined composition paths without significant loss of accuracy. Although thermodynamically consistent, the applicability of Darken's quadratic formalism to strongly interacting systems remains to be established by experiment.

A FIFO-based multicast network and its use in multicomputers

We present an implementation of a multicast network of processors. The processors are connected in a fully connected network and it is possible to broadcast data in a single instruction. The network works at the processor-memory speed and therefore provides a fast communication link among processors. A number of interesting architectures are possible using such a network. We show some of these architectures which have been implemented and are functional. We also show the system software calls which allow programming of these machines in parallel mode.

Analysis of transients in a canal network

A generalised formulation of the mathematical model developed for the analysis of transients in a canal network, under subcritical flow, with any realistic combination of control structures and their multiple operations, has been presented. The model accounts for a large variety of control structures such as weirs, gates, notches etc. discharging under different conditions, namely submerged and unsubmerged. A numerical scheme to compute and approximate steady state flow condition as the initial condition has also been presented. The model can handle complex situations that may arise from multiple gate operations. This has been demonstrated with a problem wherein the boundary conditions change from a gate discharge equation to an energy equation and back to a gate discharge equation. In such a situation the wave strikes a fixed gate and leads to large and rapid fluctuations in both discharge and depth.

A Low-Complexity Algorithm for Intrusion Detection in a PIR-Based Wireless Sensor Network

We present a low-complexity algorithm for intrusion detection in the presence of clutter arising from wind-blown vegetation, using Passive Infra-Red (PIR) sensors in a Wireless Sensor Network (WSN). The algorithm is based on a combination of Haar Transform (HT) and Support-Vector-Machine (SVM) based training and was field tested in a network setting comprising of 15-20 sensing nodes. Also contained in this paper is a closed-form expression for the signal generated by an intruder moving at a constant velocity. It is shown how this expression can be exploited to determine the direction of motion information and the velocity of the intruder from the signals of three well-positioned sensors.

In-Network Computation in Random Wireless Networks: A PAC Approach to Constant Refresh Rates with Lower Energy Costs

We propose a method to compute a probably approximately correct (PAC) normalized histogram of observations with a refresh rate of Theta(1) time units per histogram sample on a random geometric graph with noise-free links. The delay in computation is Theta(root n) time units. We further extend our approach to a network with noisy links. While the refresh rate remains Theta(1) time units per sample, the delay increases to Theta(root n log n). The number of transmissions in both cases is Theta(n) per histogram sample. The achieved Theta(1) refresh rate for PAC histogram computation is a significant improvement over the refresh rate of Theta(1/log n) for histogram computation in noiseless networks. We achieve this by operating in the supercritical thermodynamic regime where large pathways for communication build up, but the network may have more than one component. The largest component however will have an arbitrarily large fraction of nodes in order to enable approximate computation of the histogram to the desired level of accuracy. Operation in the supercritical thermodynamic regime also reduces energy consumption. A key step in the proof of our achievability result is the construction of a connected component having bounded degree and any desired fraction of nodes. This construction may also prove useful in other communication settings on the random geometric graph.

Communication pathways from the anti-codon region to the aminoacylation site in Methionyl tRNA Synthetase: Molecular dynamics simulations and the structure network analysis

The enzymes of the family of tRNA synthetases perform their functions with high precision by synchronously recognizing the anticodon region and the aminoacylation region, which are separated by ?70 in space. This precision in function is brought about by establishing good communication paths between the two regions. We have modeled the structure of the complex consisting of Escherichia coli methionyl-tRNA synthetase (MetRS), tRNA, and the activated methionine. Molecular dynamics simulations have been performed on the modeled structure to obtain the equilibrated structure of the complex and the cross-correlations between the residues in MetRS have been evaluated. Furthermore, the network analysis on these simulated structures has been carried out to elucidate the paths of communication between the activation site and the anticodon recognition site. This study has provided the detailed paths of communication, which are consistent with experimental results. Similar studies also have been carried out on the complexes (MetRS + activated methonine) and (MetRS + tRNA) along with ligand-free native enzyme. A comparison of the paths derived from the four simulations clearly has shown that the communication path is strongly correlated and unique to the enzyme complex, which is bound to both the tRNA and the activated methionine. The details of the method of our investigation and the biological implications of the results are presented in this article. The method developed here also could be used to investigate any protein system where the function takes place through long-distance communication.

Metabolome based reaction graphs of M.tuberculosis and M.leprae: A comparative network analysis

Background. Several types of networks, such as transcriptional, metabolic or protein-protein interaction networks of various organisms have been constructed, that have provided a variety of insights into metabolism and regulation. Here, we seek to exploit the reaction-based networks of three organisms for comparative genomics. We use concepts from spectral graph theory to systematically determine how differences in basic metabolism of organisms are reflected at the systems level and in the overall topological structures of their metabolic networks. Methodology/Principal Findings. Metabolome-based reaction networks of Mycobacterium tuberculosis, Mycobacterium leprae and Escherichia coli have been constructed based on the KEGG LIGAND database, followed by graph spectral analysis of the network to identify hubs as well as the sub-clustering of reactions. The shortest and alternate paths in the reaction networks have also been examined. Sub-cluster profiling demonstrates that reactions of the mycolic acid pathway in mycobacteria form a tightly connected sub-cluster. Identification of hubs reveals reactions involving glutamate to be central to mycobacterial metabolism, and pyruvate to be at the centre of the E. coli metabolome. The analysis of shortest paths between reactions has revealed several paths that are shorter than well established pathways. Conclusions. We conclude that severe downsizing of the leprae genome has not significantly altered the global structure of its reaction network but has reduced the total number of alternate paths between its reactions while keeping the shortest paths between them intact. The hubs in the mycobacterial networks that are absent in the human metabolome can be explored as potential drug targets. This work demonstrates the usefulness of constructing metabolome based networks of organisms and the feasibility of their analyses through graph spectral methods. The insights obtained from such studies provide a broad overview of the similarities and differences between organisms, taking comparative genomics studies to a higher dimension.

A homotopy approach for stabilizing single-input systems with control structure constraints

A linear state feedback gain vector used in the control of a single input dynamical system may be constrained because of the way feedback is realized. Some examples of feedback realizations which impose constraints on the gain vector are: static output feedback, constant gain feedback for several operating points of a system, and two-controller feedback. We consider a general class of problems of stabilization of single input dynamical systems with such structural constraints and give a numerical method to solve them. Each of these problems is cast into a problem of solving a system of equalities and inequalities. In this formulation, the coefficients of the quadratic and linear factors of the closed-loop characteristic polynomial are the variables. To solve the system of equalities and inequalities, a continuous realization of the gradient projection method and a barrier method are used under the homotopy framework. Our method is illustrated with an example for each class of control structure constraint.

Analysis of grid connected induction generators driven by hydro/wind turbines under realistic system constraints

Results of an investigation dealing with the behaviour of grid-connected induction generators (GCIGs) driven by typical prime movers such as mini-hydro/wind turbines are presented. Certain practical operational problems of such systems are identified. Analytical techniques are developed to study the behavior of such systems. The system consists of the induction generator (IG) feeding a 11 kV grid through a step-up transformer and a transmission line. Terminal capacitors to compensate for the lagging VAr are included in the study. Computer simulation was carried out to predict the system performance at the given input power from the turbine. Effects of variations in grid voltage, frequency, input power, and terminal capacitance on the machine and system performance are studied. An analysis of self-excitation conditions on disconnection of supply was carried out. The behavior of a 220 kW hydel system and 55/11 kW and 22 kW wind driven system corresponding to actual field conditions is discussed

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.

New results on systems with second-class constraints

We show how, for large classes of systems with purely second-class constraints, further information can be obtained about the constraint algebra. In particular, a subset consisting of half the full set of constraints is shown to have vanishing mutual brackets. Some other constraint brackets are also shown to be zero. The class of systems for which our results hold includes examples from non-relativistic particle mechanics as well as relativistic field theory. The results are derived at the classical level for Poisson brackets, but in the absence of commutator anomalies the same results will hold for the commutators of the constraint operators in the corresponding quantised theories.

Neural network approach for the two-dimensional assignment problem

A neural network approach for solving the two-dimensional assignment problem is proposed. The design of the neural network is discussed and simulation results are presented. The neural network obtains 10-15% lower cost placements on the examples considered, than the adjacent pairwise exchange method.

Gauge-invariant reformulation of theories with second-class constraints

Given a classical dynamical theory with second-class constraints, it is sometimes possible to construct another theory with first-class constraints, i.e., a gauge-invariant one, which is physically equivalent to the first theory. We identify some conditions under which this may be done, explaining the general principles and working out several examples. Field theoretic applications include the chiral Schwinger model and the non-linear sigma model. An interesting connection with the work of Faddeev and Shatashvili is pointed out.

Controlled Diffusions with Constraints, II

We consider the ergodic control for a controlled nondegenerate diffusion when m other (m finite) ergodic costs are required to satisfy prescribed bounds. Under a condition on the cost functions that penalizes instability, the existence of an optimal stable Markov control is established by convex analytic arguments.

Effect of constraints by threonine on proline containing αa-helix—A molecular dynamics approach

Proline plays an important role in the secondary structure of proteins. In the pursuit of understanding its structural role, Proline containing helices with constraints have been studied by employing molecular dynamics (MD) technique. In the present study, the constraint introduced is a threonine residue, whose sidechain has intramolecular hydrogen bond interaction with the backbone oxygen atom. The three systems that have been chosen for characterization are: (1) Ace-(Ala)12−Thr-Pro-(Ala)10−NHMe, (2) Ace-(Ala)13-Pro-Ala-Thr- (Ala)8-NHMe and (3) Ace-(Ala)13-Pro-(Ala)3-Thr-(Ala)6-NHMe. The equilibrium structures and structural transitions have been identified by monitoring the backbone dihedral angles, bend related parameters and the hydrogen bond interactions. The MD averages and root mean square (r.m.s.) fluctuations are compared and discussed. Energy minimization has been carried out on selected MD simulated points in order to analyze the characteristics of different conformations.