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Register a new userSpontaneous Polaron Transport in Biopolymers
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Added by
Buddhapriya Chakrabarti
Publication date
2011
fields
Physics
and research's language is
English
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Polarons, introduced by Davydov to explain energy transport in $alpha$-helices, correspond to electrons localised on a few lattice sites because of their interaction with phonons. While the static polaron field configurations have been extensively studied, their displacement is more difficult to explain. In this paper we show that, when the next to nearest neighbour interactions are included, for physical values of the parameters, polarons can spontaneously move, at T=0, on bent chains that exhibit a positive gradient in their curvature. At room temperature polarons perform a random walk but a curvature gradient can induce a non-zero average speed similar to the one observed at zero temperature. We also show that at zero temperature a polaron bounces on sharply kinked junctions. We interpret these results in light of the energy transport by transmembrane proteins.
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Random heteropolymers are a minimal description of biopolymers and can provide a theoretical framework to the investigate the formation of loops in biophysical experiments. A two--state model provides a consistent and robust way to study the scaling properties of loop formation in polymers of the size of typical biological systems. Combining it with self--adjusting simulated--tempering simulations, we can calculate numerically the looping properties of several realizations of the random interactions within the chain. Differently from homopolymers, random heteropolymers display at different temperatures a continuous set of scaling exponents. The necessity of using self--averaging quantities makes finite--size effects dominant at low temperatures even for long polymers, shadowing the length--independent character of looping probability expected in analogy with homopolymeric globules. This could provide a simple explanation for the small scaling exponents found in experiments, for example in chromosome folding.
A general strategy is described for finding which amino acid sequences have native states in a desired conformation (inverse design). The approach is used to design sequences of 48 hydrophobic and polar aminoacids on three-dimensional lattice structures. Previous studies employing a sequence-space Monte-Carlo technique resulted in the successful design of one sequence in ten attempts. The present work also entails the exploration of conformations that compete significantly with the target structure for being its ground state. The design procedure is successful in all the ten cases.
Charge migration along DNA molecules has attracted scientific interest for over half a century. Reports on possible high rates of charge transfer between donor and acceptor through the DNA, obtained in the last decade from solution chemistry experiments on large numbers of molecules, triggered a series of direct electrical transport measurements through DNA single molecules, bundles and networks. These measurements are reviewed and presented here. From these experiments we conclude that electrical transport is feasible in short DNA molecules, in bundles and networks, but blocked in long single molecules that are attached to surfaces. The experimental background is complemented by an account of the theoretical/computational schemes that are applied to study the electronic and transport properties of DNA-based nanowires. Examples of selected applications are given, to show the capabilities and limits of current theoretical approaches to accurately describe the wires, interpret the transport measurements, and predict suitable strategies to enhance the conductivity of DNA nanostructures.
Double-stranded DNA `overstretches at a pulling force of about 65 pN, increasing in length by a factor of 1.7. The nature of the overstretched state is unknown, despite its considerable importance for DNAs biological function and technological application. Overstretching is thought by some to be a force-induced denaturation, and by others to consist of a transition to an elongated, hybridized state called S-DNA. Within a statistical mechanical model we consider the effect upon overstretching of extreme sequence heterogeneity. `Chimeric sequences possessing halves of markedly different AT composition elongate under fixed external conditions via distinct, spatially segregated transitions. The corresponding force-extension data display two plateaux at forces whose difference varies with pulling rate in a manner that depends qualitatively upon whether the hybridized S-form is accessible. This observation implies a test for S-DNA that could be performed in experiment. Our results suggest that qualitatively different, spatially segregated conformational transitions can occur at a single thermodynamic state within single molecules of DNA.
We propose a physically-realisable biochemical device that is coupled to a biochemical reservoir of mutual information, fuel molecules and a chemical bath. Mutual information allows work to be done on the bath even when the fuel molecules appear to be in equilibrium; alternatively, mutual information can be created by driving from the fuel or the bath. The system exhibits diverse behaviour, including a regime in which the information, despite increasing during the reaction, enhances the extracted work. We further demonstrate that a modified device can function without the need for external manipulation, eliminating the need for a complex and potentially costly control.
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