Francesc Mas

TL;DR: In this article, the conditions under which the mathematical formulation of complexation, transport and adsorption processes for the real species reduces to the formulation of the same processes in a system with only the formal species are analyzed.

TL;DR: In this article, the influence of charge regulation on the stretching properties of weak polyelectrolytes is analyzed and the possibility of CR induced by mechanical stretching is explored, and the authors make use of a minimal model, which captures the fundamental aspects present in the stretching of a flexible weak linear poly electrolyte.

TL;DR: In this paper, a computer simulation model is presented to study the monolayer formation under conditions of diffusion controlled nucleation and growth in a linear electrode in contact with a bidimensional solution.

TL;DR: An expression is reported that connects the stepwise constants to the site-specific metal constants for a very general complexation model including heterogeneity, interactions, and chelate complexation for proton and metal binding to macromolecules with a large number of sites.

TL;DR: The effect of pH on the supramolecular structure of Helicobacter pylori urease was studied by means of molecular dynamics simulations at seven different pHs through root-mean-square deviation, radius of gyration, solvent-accessible surface area, hydrogen bonds, and salt bridges.