A series of gas-phase experiments and extensive theoretical modeling was done on the family of singly protonated peptides AARAA, Ac-AARAA, and AARAA-OMe. (AARAA)H(+) underwent extensive H/D exchange with D(2)O, whereas the other two peptides with blocked termini did not, implying that a salt bridge was involved in the H/D exchange process. Ion mobility measurements and complementary molecular m...

We consider communication problems in the setting of mobile agents deployed in an edge-weighted network. The assumption of the paper is that each agent has some energy that it can transfer to any other agent when they meet (together with the information it holds). The paper deals with three communication problems: data delivery, convergecast and broadcast. These problems are posed for a central...

We study heat transport in a class of stochastic energy exchange systems that characterize the interactions of networks of locally trapped hard spheres under the assumption that neighbouring particles undergo rare binary collisions. Our results provide an extension to three-dimensional dynamics of previous ones applying to the dynamics of confined two-dimensional hard disks [Gaspard P & Gilbert...

For the traditional low Tc superconductors, the superconducting condensation energy is proportional to the change in energy of the ionic lattice between the normal and superconducting state, providing a clear link between pairing and the electron–ion interaction. Here, for the t-J model, we discuss an analogous relationship between the superconducting condensation energy and the change in the e...

We approximate the exchange-correlation energy of density functional theory as a controlled extrapolation from the slowly varying limit. While generalized gradient approximations (GGA’s) require only the local density and its first gradient as input, our meta-GGA also requires the orbital kinetic energy density. Its exchange energy component recovers the fourth-order gradient expansion, while i...

The ability of recombinant human Hb (rHb1.1), which is being developed as an oxygen therapeutic, to support metabolism was measured by in vivo 31P-NMR surface coil spectroscopy of the rat abdomen in control animals and in animals subjected to isovolemic exchange transfusion to hematocrit of <3% with human serum albumin or 5 g/dl rHb1.1. No significant changes in metabolite levels were observed ...

The Energy Technology Data Exchange (ETDE) agreement included 19 member countries spanning four continents: Japan and the Republic of Korea; Belgium, Denmark, Finland, France, Germany, Italy, The Netherlands, Norway, Poland, Spain, Sweden, Switzerland, and the United Kingdom; Canada, Mexico, and the United States; and Brazil. The participating countries share their nationally published energy r...