Against all odds? Forming the planet of the HD196885 binary

HD196885Ab is the most "extreme" planet-in-a-binary discovered to date, whose orbit places it at the limit for orbital stability. The presence of a planet in such a highly perturbed region poses a clear challenge to planet-formation scenarios. We investigate this issue by focusing on the planet-formation stage that is arguably the most sensitive to binary perturbations: the mutual accretion of kilometre-sized planetesimals. To this effect we numerically estimate the impact velocities $dv$ amongst a population of circumprimary planetesimals. We find that most of the circumprimary disc is strongly hostile to planetesimal accretion, especially the region around 2.6AU (the planet's location) where binary perturbations induce planetesimal-shattering $dv$ of more than 1km/s. Possible solutions to the paradox of having a planet in such accretion-hostile regions are 1) that initial planetesimals were very big, at least 250km, 2) that the binary had an initial orbit at least twice the present one, and was later compacted due to early stellar encounters, 3) that planetesimals did not grow by mutual impacts but by sweeping of dust (the "snowball" growth mode identified by Xie et al., 2010b), or 4) that HD196885Ab was formed not by core-accretion but by the concurent disc instability mechanism. All of these 4 scenarios remain however highly conjectural.Comment: accepted for publication by Celestial Mechanics and Dynamical Astronomy (Special issue on EXOPLANETS

Hydrophobic and ionic-interactions in bulk and confined water with implications for collapse and folding of proteins

Water and water-mediated interactions determine thermodynamic and kinetics of protein folding, protein aggregation and self-assembly in confined spaces. To obtain insights into the role of water in the context of folding problems, we describe computer simulations of a few related model systems. The dynamics of collapse of eicosane shows that upon expulsion of water the linear hydrocarbon chain adopts an ordered helical hairpin structure with 1.5 turns. The structure of dimer of eicosane molecules has two well ordered helical hairpins that are stacked perpendicular to each other. As a prelude to studying folding in confined spaces we used simulations to understand changes in hydrophobic and ionic interactions in nano droplets. Solvation of hydrophobic and charged species change drastically in nano water droplets. Hydrophobic species are localized at the boundary. The tendency of ions to be at the boundary where water density is low increases as the charge density decreases. Interaction between hydrophobic, polar, and charged residue are also profoundly altered in confined spaces. Using the results of computer simulations and accounting for loss of chain entropy upon confinement we argue and then demonstrate, using simulations in explicit water, that ordered states of generic amphiphilic peptide sequences should be stabilized in cylindrical nanopores