Finding the optimum activation energy in DNA breathing dynamics: A Simulated Annealing approach

We demonstrate how the stochastic global optimization scheme of Simulated Annealing can be used to evaluate optimum parameters in the problem of DNA breathing dynamics. The breathing dynamics is followed in accordance with the stochastic Gillespie scheme with the denaturation zones in double stranded DNA studied as a single molecule time series. Simulated Annealing is used to find the optimum value of the activation energy for which the equilibrium bubble size distribution matches with a given value. It is demonstrated that the method overcomes even large noise in the input surrogate data.Comment: 9 pages, 4 figures, iop article package include

Information theoretical study of cross-talk mediated signal transduction in MAPK pathways

Biochemical networks related to similar functional pathways are often correlated due to cross-talk among the homologous proteins in the different networks. Using a stochastic framework, we address the functional significance of the cross-talk between two pathways. Our theoretical analysis on generic MAPK pathways reveals cross-talk is responsible for developing coordinated fluctuations between the pathways. The extent of correlation evaluated in terms of the information theoretic measure provides directionality to net information propagation. Stochastic time series and scattered plot suggest that the cross-talk generates synchronization within a cell as well as in a cellular population. Depending on the number of input and output, we identify signal integration and signal bifurcation motif that arise due to inter-pathway connectivity in the composite network. Analysis using partial information decomposition quantifies the net synergy in the information propagation through these branched pathways.Comment: Revised version, 17 pages, 5 figure

Role of relaxation time scale in noisy signal transduction

Intracellular fluctuations, mainly triggered by gene expression, are an inevitable phenomenon observed in living cells. It influences generation of phenotypic diversity in genetically identical cells. Such variation of cellular components is beneficial in some contexts but detrimental in others. To quantify the fluctuations in a gene product, we undertake an analytical scheme for studying few naturally abundant linear as well as branched chain network motifs. We solve the Langevin equations associated with each motif under the purview of linear noise approximation and quantify Fano factor and mutual information. Both quantifiable expressions exclusively depend on the relaxation time (decay rate constant) and steady state population of the network components. We investigate the effect of relaxation time constraints on Fano factor and mutual information to indentify a time scale domain where a network can recognize the fluctuations associated with the input signal more reliably. We also show how input population affects both quantities. We extend our calculation to long chain linear motif and show that with increasing chain length, the Fano factor value increases but the mutual information processing capability decreases. In this type of motif, the intermediate components are shown to act as a noise filter that tune up input fluctuations and maintain optimum fluctuations in the output. For branched chain motifs, both quantities vary within a large scale due to their network architecture and facilitate survival of living system in diverse environmental conditions.Comment: 14 pages, 6 figure

EXPEDITIOUS GREEN SYNTHESIS OF VERSATILE ORGANIC COMPOUNDS BY DIVERSE METHODS

Synthesis of organic compounds requires organic solvents and reagents to promote them. Very often, toxic solvents are used for this purpose. Many organic reactions require molar proportion of reactants and reagents to accomplish the goal. Some reactions require longer reaction times and produce products without control of stereochemistry. Therefore, development of facile and effective organic reactions under environmentally friendly conditions is necessary. In this perspective, several reactions are discussed that are performed by microwave-induced reactions, catalytic procedures, in the absence of any solvents, one-pot method and in water. Important reactions are chosen to investigate the feasibility of conducting these reactions under green chemistry conditions