The purpose of this paper is to integrate lipid catabolism, ketogenesis and acid-base balance during starvation. The calculations made in this presentation may be approximate, but the values give useful information. Emphasis is directed toward hydrogen (hydronium and hydride) transfer during the hyperketonaemic state of starvation, and a special role is assigned to /%hydroxybutyrate as a regula...

The ionization potential distributions of hydrated hydroxide and hydronium are computed with the many-body approach for electron excitations with configurations generated by ab initio molecular dynamics. The experimental features are well reproduced and found to be closely related to the molecular excitations. In the stable configurations, the ionization potential is mainly perturbed by solvent...

We studied the effect of polar/nonpolar sequences on the structure and water transport of Nafion 117 with 20 wt.% water by molecular dynamics (MD) simulations. Although the systems show clear hydrophilic/hydrophobic segregation in all conditions studied, we observe that increased blockiness leads to better phase segregation, with the anionic moieties unevenly distributed in the interface leavin...