Statistical mechanics of coarse graining: estimating dynamical speedups from excess entropies.

The excess entropy of fluids has been shown to play a decisive role in the determination of dynamical properties [Y. Rosenfeld, Phys. Rev. A 15, 2545 (1977)]. We argue that it could play an equally important role in connecting dynamical properties of atomistic and coarse-grained models of molecular fluid systems. Molecular dynamics simulations for an atomistic and a coarse-grained model of water confirm the validity of this conjecture, showing that the sizable enhancement of the diffusion rate upon coarse-graining is a simple function of the difference in the excess entropy of the two models. This empirical observation could ease the way to a first-principles prediction of the relation of dynamical properties estimated from models at different resolution.

Fluconazole-induced recurrent ventricular fibrillation leading to multiple cardiac arrests.

This case report describes the successful management of a patient with diabetic ketoacidosis, who developed torsades de pointes leading to nine cardiac arrests secondary to intravenous fluconazole administration on a background of hypokalaemia and hypocalcaemia.