Hydrodynamic Interactions in Protein Folding

We incorporate hydrodynamic interactions (HI) in a coarse-grained and structure-based model of proteins by employing the Rotne-Prager hydrodynamic tensor. We study several small proteins and demonstrate that HI facilitate folding. We also study HIV-1 protease and show that HI make the flap closing dynamics faster. The HI are found to affect time correlation functions in the vicinity of the native state even though they have no impact on same time characteristics of the structure fluctuations around the native state

Stratospheric cruise emission reduction program

A recently implemented NASA effort specifically aimed at reducing cruise oxides of nitrogen from high-altitude aircraft is discussed. The desired emission levels and the combustor technology required to achieve them are discussed. A brief overview of the SCERP operating plan is given. Lean premixed-prevaporized combustion and some of the potential difficulties that are associated with applying this technique to gas turbine combustors are examined. Base technology was developed in several key areas. These fundamental studies are viewed as a requirement for successful implementation of the lean premixed combustion technique

Effects of Inelastic Neutrino-Nucleus Scattering on Supernova Dynamics and Radiated Neutrino Spectra

Based on the shell model for Gamow-Teller and the Random Phase Approximation for forbidden transitions, we have calculated reaction rates for inelastic neutrino-nucleus scattering (INNS) under supernova (SN) conditions, assuming a matter composition given by Nuclear Statistical Equilibrium. The rates have been incorporated into state-of-the-art stellar core-collapse simulations with detailed energy-dependent neutrino transport. While no significant effect on the SN dynamics is observed, INNS increases the neutrino opacities noticeably and strongly reduces the high-energy tail of the neutrino spectrum emitted in the neutrino burst at shock breakout. Relatedly the expected event rates for the observation of such neutrinos by earthbound detectors are reduced by up to about 60%.Comment: 4 pages, 2 figures, 1 tabl

Scaling of solvation force in 2D Ising strip

The solvation force for the 2D Ising strip is calculated via exact diagonalization of the transfer matrix in two cases: the symmetric case corresponds to identical surface fields, and the antisymmetric case to exactly opposite surface fields. In the symmetric case the solvation force is always negative (attractive) while in the antisymmetric case the solvation force is positive (repulsive) at high temperatures and negative at low temperatures. It changes sign close to the critical wetting temperature characterizing the semi--infinite system. The properties of the solvation force are discussed and the scaling function describing its dependence on temperature, surface field, and strip's width is proposed

Orientation and solvatochromism of dyes in liquid crystals.

The orientation and solvatochromism of some dye molecules in a liquid crystal have been investigated. Interactions with the host and the structure of the dye molecule affect the macroscopic alignment of dichroic dye molecules in a liquid crystal: It was observed that some dye molecules show a large bathochromic shift of their absorption maxima in the liquid crystal host relative to the situation in isotropic solvents. It is suggested that this is due to the occurrence of a much weaker reaction field in the anisotropic, rigid host. These dye molecules show little or no apparent order in the anisotropic host despite the observation of a reduction in the electro optic switching time when the dye is present. The highest degree of macroscopic alignment was observed for a merocyanine compound, which showed the smallest solvatochromic shift in the liquid crystal host. These results are discussed in terms of the steric, dipolar and hydrogen bond interactions between the guest and the host

Nonclassicality of pure two-qutrit entangled states

We report an exhaustive numerical analysis of violations of local realism by two qutrits in all possible pure entangled states. In Bell type experiments we allow any pairs of local unitary U(3) transformations to define the measurement bases. Surprisingly, Schmidt rank-2 states, resembling pairs of maximally entangled qubits, lead to the most noise-robust violations of local realism. The phenomenon seems to be even more pronounced for four and five dimensional systems, for which we tested a few interesting examples.Comment: 6 pages, journal versio

Nanoscale fluid flows in the vicinity of patterned surfaces

Molecular dynamics simulations of dense and rarefied fluids comprising small chain molecules in chemically patterned nano-channels predict a novel switching from Poiseuille to plug flow along the channel. We also demonstrate behavior akin to the lotus effect for a nanodrop on a chemically patterned substrate. Our results show that one can control and exploit the behavior of fluids at the nanoscale using chemical patterning.Comment: Phys. Rev. Lett. in pres

Comment on ``Measurement of the 3^3He mass diffusion coefficient in superfluid 4^4He over the 0.45--0.95 K temperature range

The role of 3He-3He collisions in our diffusion experiment is addressed and shown to not be relevant to the measurement of 3He diffusion against phonons in superfluid helium.Comment: Two pages, in Europhysics Letters forma

Improved Laboratory Transition Probabilities for Neutral Chromium and Re-determination of the Chromium Abundance for the Sun and Three Stars

Branching fraction measurements from Fourier transform spectra in conjunction with published radiative lifetimes are used to determine transition probabilities for 263 lines of neutral chromium. These laboratory values are employed to derive a new photospheric abundance for the Sun: log $\epsilon$(Cr I)$_{\odot}$ = 5.64$\pm$0.01 ($\sigma = 0.07$). These Cr I solar abundances do not exhibit any trends with line strength nor with excitation energy and there were no obvious indications of departures from LTE. In addition, oscillator strengths for singly-ionized chromium recently reported by the FERRUM Project are used to determine: log $\epsilon$(Cr II)$_{\odot}$ = 5.77$\pm$0.03 ($\sigma = 0.13$). Transition probability data are also applied to the spectra of three stars: HD 75732 (metal-rich dwarf), HD 140283 (metal-poor subgiant), and CS 22892-052 (metal-poor giant). In all of the selected stars, Cr I is found to be underabundant with respect to Cr II. The possible causes for this abundance discrepancy and apparent ionization imbalance are discussed.Comment: 44 pages, 6 figure

Delineation of the Native Basin in Continuum Models of Proteins

We propose two approaches for determining the native basins in off-lattice models of proteins. The first of them is based on exploring the saddle points on selected trajectories emerging from the native state. In the second approach, the basin size can be determined by monitoring random distortions in the shape of the protein around the native state. Both techniques yield the similar results. As a byproduct, a simple method to determine the folding temperature is obtained.Comment: REVTeX, 6 pages, 5 EPS figure