DsbA is a redox-switchable mechanical chaperone

DsbA is a ubiquitous bacterial oxidoreductase that associates with substrates during and after translocation, yet its involvement in protein folding and translocation remains an open question. Here we demonstrate a redox-controlled chaperone activity of DsbA, on both cysteine-containing and cysteine-free substrates, using magnetic tweezers-based single molecule force spectroscopy that enables independent measurements of oxidoreductase activity and chaperone behavior. Interestingly we found that this chaperone activity is tuned by the oxidation state of DsbA; oxidized DsbA is a strong promoter of folding, but the effect is weakened by the reduction of the catalytic CXXC motif. We further localize the chaperone binding site of DsbA using a seven-residue peptide which effectively blocks the chaperone activity. We found that the DsbA assisted folding of proteins in the periplasm generates enough mechanical work to decrease the ATP consumption needed for periplasmic translocation by up to 33%.

Protein translocation is facilitated by DsbA chaperone in a redox-dependent manner.     

Charge transfer via a two-strand superexchange bridge in DNA

Charge transfer in a DNA duplex chain is studied by constructing a system with virtual electrodes connected at the ends of each DNA strand. The system is described by the tight-binding model and its transport is analyzed by the transfer matrix method. The very weak distance dependence in a long (G:C)(T:A)M(G:C)3 DNA chain observed in experiment [B. Giese, Nature (London) 412, 318 (2001)] is explained by a unistep two-strand superexchange bridge without the need for the multistep thermally induced hopping mechanism or the dephasing effect. The crossover number Mc of the (T:A) base pairs, where crossover between the strong and weak distance dependence occurs, reflects the ratio of intra- and interstrand neighboring base-base couplings.     

Variable Modified Chaplygin Gas in Anisotropic Universe with Kaluza-Klein Metric

In this work, we have considered Kaluza-Klein Cosmology for anisotropic universe where the universe is filled with Variable Modified Chaplygin Gas (VMCG). Here we find normal scalar field ? and the self interacting potential V(?) to describe the VMCG Cosmology. We have also graphically analyzed the geometrical parameters named Statefinder Parameters in anisotropic Kaluza-Klein model. Next, we have considered a Kaluza-Klein model of interacting VMCG with dark matter in the Einstein gravity framework. Here we construct the three dimensional autonomous dynamical system of equations for this interacting model with the assumption that the dark energy and the dark matter interacts between themselves and for that we also choose the interaction term. We convert that interaction term to its dimensionless form and perform stability analysis and solve them numerically. We obtain a stable scaling solution of the equations in Kaluza-Klein model and graphically represent solutions.     

Bulk-phase thermodynamic properties and dielectric constant of ethanol: an ab initio quantum mechanical approach combined with a statistical model

Ab initio theory at the HF/6-311G(d,p) level has been used to compute the hydrogen bonding thermodynamics in bulk liquid ethanol. Inter-cluster hydrogen bonding is assumed to mimic the H-bonding in bulk ethanol. Rotation of the clusters has been neglected, but translational and vibrational motions are taken into account for calculating bulk thermodynamic parameters. Results are well in agreement with an earlier report [J. Chem. Phys. 116, 4212 (2002)]. For a more accurate dipole moment of monomer, MP2/6-311++G(d,p) calculation was done. Use of the computed thermodynamic data in a statistical model yields the Kirkwood-Frohlich correlation factor and the dielectric constant of ethanol (21.0) close to the experimental value, 24.3 at 298 K.     

Effect of Discharge Plasma Potential on Diffusion Plasma Parameters Controlled by a Mesh Grid in a Double Plasma Device

The plasma region under investigation is separated from the discharge region by a mesh grid. Plasma potential and electron number densities and electron temperatures under bi‐Maxwellian approximation for electron distribution function of the multi‐dipole argon plasma are measured. The cold electrons in the diffusion region are produced by local ionization. The hot electrons are the ionizing electrons behaving as Maxwellian. The electron trapping process in the discharge region is produced by potential well due to positive plasma potential with respect to the anode and by a repulsive grid. The dependence of ratios of the density of the hot to the cold electrons N_E (=N_eh/N_ec) and hot to cold electron temperature T(=T_eh/T_ec) in the diffusion region on the depth of the potential well has been investigated. (© 2013 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Buckled nano rod – a two state system: quantum effects on its dynamics

We consider a suspended elastic rod under longitudinal compression. The compression can be used to adjust potential energy for transverse displacements from the harmonic to the double well regime. The two minima in potential energy curve describe two possible buckled states. Using transition state theory (TST) we have calculated the rate of conversion from one state to other. If the strain ? = 4? _c the simple TST rate diverges. We suggest a method to correct this divergence for quantum calculations. We also find that zero point energy contributions can be quite large so that single mode calculations can lead to large errors in the rate.     

Assessment of dynamic closure for premixed combustion large eddy simulation

Turbulent piloted Bunsen flames of stoichiometric methane–air mixtures are computed using the large eddy simulation (LES) paradigm involving an algebraic closure for the filtered reaction rate. This closure involves the filtered scalar dissipation rate of a reaction progress variable. The model for this dissipation rate involves a parameter β_c representing the flame front curvature effects induced by turbulence, chemical reactions, molecular dissipation, and their interactions at the sub-grid level, suggesting that this parameter may vary with filter width or be a scale-dependent. Thus, it would be ideal to evaluate this parameter dynamically by LES. A procedure for this evaluation is discussed and assessed using direct numerical simulation (DNS) data and LES calculations. The probability density functions of β_c obtained from the DNS and LES calculations are very similar when the turbulent Reynolds number is sufficiently large and when the filter width normalised by the laminar flame thermal thickness is larger than unity. Results obtained using a constant (static) value for this parameter are also used for comparative evaluation. Detailed discussion presented in this paper suggests that the dynamic procedure works well and physical insights and reasonings are provided to explain the observed behaviour.     

Reflection and refraction of P-, SV- and thermal wave,at an initially stressed solid–liquid interface in generalized thermoelasticity

We have investigated the problem of reflection and refraction of thermoelastic wave at a solid–liquid interface in presence of initial stress. Using the theory of generalized thermoelasticity the problem has been solved in the context of various linear theories of thermoelasticity namely Lord–Shulmon, Green–Lindsay and coupled thermoelasticity. The appropriate expressions to find the amplitude ratios for all the three cases of P-wave incidence, SV-wave incidence and thermal wave incidence have been developed. However the ratios of amplitudes of reflected and refracted waves to that of incident wave are computed numerically for earth’s crust-water interface, for incident P-wave only, considering the initial stress to be tensile as well as compressional both. The results obtained are discussed and compared in the three models of thermoelasticity. The variations of the amplitude ratios with initial stress in G–L model have also been shown.