Origin of entropy convergence in hydrophobic hydration and protein folding

An information theory model is used to construct a molecular explanation why hydrophobic solvation entropies measured in calorimetry of protein unfolding converge at a common temperature. The entropy convergence follows from the weak temperature dependence of occupancy fluctuations for molecular-scale volumes in water. The macroscopic expression of the contrasting entropic behavior between water and common organic solvents is the relative temperature insensitivity of the water isothermal compressibility. The information theory model provides a quantitative description of small molecule hydration and predicts a negative entropy at convergence. Interpretations of entropic contributions to protein folding should account for this result.Comment: Phys. Rev. Letts. (in press 1996), 3 pages, 3 figure

Equational reasoning with context-free families of string diagrams

String diagrams provide an intuitive language for expressing networks of interacting processes graphically. A discrete representation of string diagrams, called string graphs, allows for mechanised equational reasoning by double-pushout rewriting. However, one often wishes to express not just single equations, but entire families of equations between diagrams of arbitrary size. To do this we define a class of context-free grammars, called B-ESG grammars, that are suitable for defining entire families of string graphs, and crucially, of string graph rewrite rules. We show that the language-membership and match-enumeration problems are decidable for these grammars, and hence that there is an algorithm for rewriting string graphs according to B-ESG rewrite patterns. We also show that it is possible to reason at the level of grammars by providing a simple method for transforming a grammar by string graph rewriting, and showing admissibility of the induced B-ESG rewrite pattern.Comment: International Conference on Graph Transformation, ICGT 2015. The final publication is available at Springer via http://dx.doi.org/10.1007/978-3-319-21145-9_

Isospin Fluctuations from a Thermally Equilibrated Hadron Gas

Partition functions, multiplicity distributions, and isospin fluctuations are calculated for canonical ensembles in which additive quantum numbers as well as total isospin are strictly conserved. When properly accounting for Bose-Einstein symmetrization, the multiplicity distributions of neutral pions in a pion gas are significantly broader as compared to the non-degenerate case. Inclusion of resonances compensates for this broadening effect. Recursion relations are derived which allow calculation of exact results with modest computer time.Comment: 10 pages, 5 figure