Ring Vibrations to Sense Anionic Ibuprofen in Aqueous Solution as Revealed by Resonance Raman

We unravel the potentialities of resonance Raman spectroscopy to detect ibuprofen in diluted aqueous solutions. In particular, we exploit a fully polarizable quantum mechanics/molecular mechanics (QM/MM) methodology based on fluctuating charges coupled to molecular dynamics (MD) in order to take into account the dynamical aspects of the solvation phenomenon. Our findings, which are discussed in light of a natural bond orbital (NBO) analysis, reveal that a selective enhancement of the Raman signal due to the normal mode associated with the C–C stretching in the ring, νC=C, can be achieved by properly tuning the incident wavelength, thus facilitating the recognition of ibuprofen in water samples

Frontiers of the physics of dense plasmas and planetary interiors: experiments, theory, applications

Recent developments of dynamic x-ray characterization experiments of dense matter are reviewed, with particular emphasis on conditions relevant to interiors of terrestrial and gas giant planets. These studies include characterization of compressed states of matter in light elements by x-ray scattering and imaging of shocked iron by radiography. Several applications of this work are examined. These include the structure of massive "Super Earth" terrestrial planets around other stars, the 40 known extrasolar gas giants with measured masses and radii, and Jupiter itself, which serves as the benchmark for giant planets.Comment: Accepted to Physics of Plasmas special issue. Review from HEDP/HEDLA-08, April 12-15, 200

Signals For Parity Violation in the Electroweak Symmetry Breaking Sector

We consider the possibility of observing a parity violating but $CP$ conserving interaction in the symmetry breaking sector of the electroweak theory. We find that the best probe for such an interaction is a forward-backward asymmetry in $W^+W^-$ production from polarized $e^-_R e^+_L$ collisions. An observable asymmetry would be strong evidence against a custodial $SU(2)$ symmetry. We also discuss the effects of such an interaction in future $e^- \gamma$ colliders as well as in rare decays of $K$ and $B$ mesons.Comment: Some sentences were added and others changed to clarify the discussion, 14 pages LaTe

Simulating Turbulence Using the Astrophysical Discontinuous Galerkin Code TENET

In astrophysics, the two main methods traditionally in use for solving the Euler equations of ideal fluid dynamics are smoothed particle hydrodynamics and finite volume discretization on a stationary mesh. However, the goal to efficiently make use of future exascale machines with their ever higher degree of parallel concurrency motivates the search for more efficient and more accurate techniques for computing hydrodynamics. Discontinuous Galerkin (DG) methods represent a promising class of methods in this regard, as they can be straightforwardly extended to arbitrarily high order while requiring only small stencils. Especially for applications involving comparatively smooth problems, higher-order approaches promise significant gains in computational speed for reaching a desired target accuracy. Here, we introduce our new astrophysical DG code TENET designed for applications in cosmology, and discuss our first results for 3D simulations of subsonic turbulence. We show that our new DG implementation provides accurate results for subsonic turbulence, at considerably reduced computational cost compared with traditional finite volume methods. In particular, we find that DG needs about 1.8 times fewer degrees of freedom to achieve the same accuracy and at the same time is more than 1.5 times faster, confirming its substantial promise for astrophysical applications.Comment: 21 pages, 7 figures, to appear in Proceedings of the SPPEXA symposium, Lecture Notes in Computational Science and Engineering (LNCSE), Springe

Two-photon interference with thermal light

The study of entangled states has greatly improved the basic understanding about two-photon interferometry. Two-photon interference is not the interference of two photons but the result of superposition among indistinguishable two-photon amplitudes. The concept of two-photon amplitude, however, has generally been restricted to the case of entangled photons. In this letter we report an experimental study that may extend this concept to the general case of independent photons. The experiment also shows interesting practical applications regarding the possibility of obtaining high resolution interference patterns with thermal sources.Comment: Added reference 1

Protein co-evolution, co-adaptation and interactions

Co-evolution has an important function in the evolution of species and it is clearly manifested in certain scenarios such as host–parasite and predator–prey interactions, symbiosis and mutualism. The extrapolation of the concepts and methodologies developed for the study of species co-evolution at the molecular level has prompted the development of a variety of computational methods able to predict protein interactions through the characteristics of co-evolution. Particularly successful have been those methods that predict interactions at the genomic level based on the detection of pairs of protein families with similar evolutionary histories (similarity of phylogenetic trees: mirrortree). Future advances in this field will require a better understanding of the molecular basis of the co-evolution of protein families. Thus, it will be important to decipher the molecular mechanisms underlying the similarity observed in phylogenetic trees of interacting proteins, distinguishing direct specific molecular interactions from other general functional constraints. In particular, it will be important to separate the effects of physical interactions within protein complexes (‘co-adaptation') from other forces that, in a less specific way, can also create general patterns of co-evolution

Probing Intrinsic Charm with Semileptonic B Decays

We discuss semileptonic B decays of the form B -> J/Psi e nu X as possible probes of intrinsic charm. We calculate the leading order perturbative contribution to the process B- -> J/Psi e- nu_e X and find it to be unobservably small, with a branching ratio ~ 10^-10. We propose a modified spectator model to estimate the intrinsic charm contribution and find that it can be significantly larger, with a branching ratio for B -> (c cbar) e- nu_e X as large as 5 X 10^-7. We show that the process could be observed at these levels by CDF assuming a Run II integrated luminosity of 15 fb^-1, making this a useful reaction to probe the idea of intrinsic charm.Comment: 25 pages, LaTeX, 7 figures, uses epsf.sty. Version substantially revise