On the structure of the energy distribution function in the hopping regime

The impact of the dispersion of the transport coefficients on the structure of the energy distribution function for charge carriers far from equilibrium has been investigated in effective-medium approximation for model densities of states. The investigations show that two regimes can be observed in energy relaxation processes. Below a characteristic temperature the structure of the energy distribution function is determined by the dispersion of the transport coefficients. Thermal energy diffusion is irrelevant in this regime. Above the characteristic temperature the structure of the energy distribution function is determined by energy diffusion. The characteristic temperature depends on the degree of disorder and increases with increasing disorder. Explicit expressions for the energy distribution function in both regimes are derived for a constant and an exponential density of states.Comment: 16 page

On dispersive energy transport and relaxation in the hopping regime

A new method for investigating relaxation phenomena for charge carriers hopping between localized tail states has been developed. It allows us to consider both charge and energy {\it dispersive} transport. The method is based on the idea of quasi-elasticity: the typical energy loss during a hop is much less than all other characteristic energies. We have investigated two models with different density of states energy dependencies with our method. In general, we have found that the motion of a packet in energy space is affected by two competing tendencies. First, there is a packet broadening, i.e. the dispersive energy transport. Second, there is a narrowing of the packet, if the density of states is depleting with decreasing energy. It is the interplay of these two tendencies that determines the overall evolution. If the density of states is constant, only broadening exists. In this case a packet in energy space evolves into Gaussian one, moving with constant drift velocity and mean square deviation increasing linearly in time. If the density of states depletes exponentially with decreasing energy, the motion of the packet tremendously slows down with time. For large times the mean square deviation of the packet becomes constant, so that the motion of the packet is ``soliton-like''.Comment: 26 pages, RevTeX, 10 EPS figures, submitted to Phys. Rev.

Friction Drag on a Particle Moving in a Nematic Liquid Crystal

The flow of a liquid crystal around a particle does not only depend on its shape and the viscosity coefficients but also on the direction of the molecules. We studied the resulting drag force on a sphere moving in a nematic liquid crystal (MBBA) in a low Reynold's number approach for a fixed director field (low Ericksen number regime) using the computational artificial compressibility method. Taking the necessary disclination loop around the sphere into account, the value of the drag force anisotropy (F_\perp/F_\parallel=1.50) for an exactly computed field is in good agreement with experiments (~1.5) done by conductivity diffusion measurements. We also present data for weak anchoring of the molecules on the particle surface and of trial fields, which show to be sufficiently good for most applications. Furthermore, the behaviour of the friction close to the transition point nematic isotropic and for a rod-like and a disc-like liquid crystal will be given.Comment: 23 pages RevTeX, including 3 PS figures, 1 PS table and 1 PS-LaTeX figure; Accepted for publication in Phys. Rev.

Electronic structure and light-induced conductivity in a transparent refractory oxide

Combined first-principles and experimental investigations reveal the underlying mechanism responsible for a drastic change of the conductivity (by 10 orders of magnitude) following hydrogen annealing and UV-irradiation in a transparent oxide, 12CaO.7Al2O3, found by Hayashi et al. The charge transport associated with photo-excitation of an electron from H, occurs by electron hopping. We identify the atoms participating in the hops, determine the exact paths for the carrier migration, estimate the temperature behavior of the hopping transport and predict a way to enhance the conductivity by specific doping.Comment: 4 pages including 4 figure

Characterisation of the mycobacterial NER system reveals novel functions of uvrD1 helicase

In this study, we investigated the role of the nucleotide excision repair (NER) pathway in mycobacterial DNA repair. Mycobacterium smegmatis lacking the NER excinuclease component uvrB, the helicase uvrD1 and a double knock-out lacking both proteins were constructed and their sensitivity to a series of DNA damaging agents wa analysed. As anticipated, the mycobacterial NER system was shown to be involved in the processing of bulky DNA adducts and inter-strand cross-links. In addition, it could be shown to exert a protective effect against oxidising and nitrosating agents. Interestingly, inactivation of uvrB and uvrD1 significantly increased marker integration frequencies in gene conversion assays. This implies that in mycobacteria, which lack the postreplicative mismatch repair system, NER, and particularly the UvrD1 helicase, is involved in the processing of a subset of recombination-associated mismatches

Charge correlations in polaron hopping through molecules

In many organic molecules the strong coupling of excess charges to vibrational modes leads to the formation of polarons, i.e., a localized state of a charge carrier and a molecular deformation. Incoherent hopping of polarons along the molecule is the dominant mechanism of transport at room temperature. We study the far-from-equilibrium situation where, due to the applied bias, the induced number of charge carriers on the molecule is high enough such that charge correlations become relevant. We develop a diagrammatic theory that exactly accounts for all many-particle correlations functions for incoherent transport through a finite system. We compute the transport properties of short sequences of DNA by expanding the diagrammatic theory up to second order in the hopping parameters. The correlations qualitatively modify the I-V characteristics as compared to those approaches where correlations are dealt with in a mean-field type approximation only.Comment: 13 pages, 10 figures, submitted to Phys. Rev.

The biological and structural characterization of Mycobacterium tuberculosis UvrA provides novel insights into its mechanism of action

Mycobacterium tuberculosis is an extremely well adapted intracellular human pathogen that is exposed to multiple DNA damaging chemical assaults originating from the host defence mechanisms. As a consequence, this bacterium is thought to possess highly efficient DNA repair machineries, the nucleotide excision repair (NER) system amongst these. Although NER is of central importance to DNA repair in M. tuberculosis, our understanding of the processes in this species is limited. The conserved UvrABC endonuclease represents the multi-enzymatic core in bacterial NER, where the UvrA ATPase provides the DNA lesion-sensing function. The herein reported genetic analysis demonstrates that M. tuberculosis UvrA is important for the repair of nitrosative and oxidative DNA damage. Moreover, our biochemical and structural characterization of recombinant M. tuberculosis UvrA contributes new insights into its mechanism of action. In particular, the structural investigation reveals an unprecedented conformation of the UvrB-binding domain that we propose to be of functional relevance. Taken together, our data suggest UvrA as a potential target for the development of novel anti-tubercular agents and provide a biochemical framework for the identification of small-molecule inhibitors interfering with the NER activity in M. tuberculosi

Spin Transport in Two Dimensional Hopping Systems

A two dimensional hopping system with Rashba spin-orbit interaction is considered. Our main interest is concerned with the evolution of the spin degree of freedom of the electrons. We derive the rate equations governing the evolution of the charge density and spin polarization of this system in the Markovian limit in one-particle approximation. If only two-site hopping events are taken into account, the evolution of the charge density and of the spin polarization is found to be decoupled. A critical electric field is found, above which oscillations are superimposed on the temporal decay of the total polarization. A coupling between charge density and spin polarization occurs on the level of three-site hopping events. The coupling terms are identified as the anomalous Hall effect and the recently proposed spin Hall effect. Thus, an unpolarized charge current through a sheet of finite width leads to a transversal spin accumulation in our model system.Comment: 15 pages, 3 figure