Biomedical subjects

F C Celentano

Publications and source records attributed to F C Celentano.

3 recordsLinked to original sources

PubMed1991

On the computational approach to immobilized pH gradients.

The unified treatment for computing the pH of complex mixtures of mono- and polyprotic buffers, including ampholytes, as utilized in the gradient simulation program PGS, is presented. Its ability to compute pH, buffering power and ionic strength is shown by discussing a few simulations. The problems arising in the automatic formulation of optimal mixtures are presented, as well as the merits and limits of several target functions utilized in such optimizations. It is shown that no universal target function exists and that a proper optimization method should account for the fact that more than one formulation is possible for a given pH range.

Buffers↗

PubMedDate not supplied

pH gradients generated by polyprotic buffers. I. Theory and computer simulation.

This paper presents the general equations for computing pH, dissociation coefficients, buffering power and ionic strength of pure polyelectrolyte solutions (polyacids, polybases and zwitterionic species with any number of dissociable groups) and mixtures of any number of these species. A program has been written for simulating the behaviour of mixtures containing up to 50 species (including buffers and titrants), each of them with up to 10 dissociable groups. This allowed one to check the equations with the available data on a few oligoprotic species.

Buffers↗

PubMedDate not supplied

pH gradients generated by polyprotic buffers. II. Experimental validation.

The experimental validation refers to the computer program reported in the companion paper, able to simulate the course of pH, buffering power (beta) and ionic strength (I) of polyprotic buffers (either singly or in a mixture) titrated over any pH range. With simple oligoamines (up to five nitrogens) it is shown that it is impossible to generate linear pH gradients in the pH 4-10 interval, unless they are mixed in appropriate ratios. With pentaethylene hexamine, when used alone, it is possible to create a linear pH 4-10 interval, provided the molarity ratios are altered in the two chambers of the gradient mixer. The general rule operating for generation of linear pH intervals is constancy of buffering power throughout the titration. Local minima of beta produce steeper gradients, while local beta maxima flatten it. The ideal delta pK to arrange for linear pH gradients during titration is centred around 1 pH unit; thus polyprotic buffers with very large delta pK values (e.g., EDTA) appear to be totally useless for this purpose. The present computing algorithms should be quite efficient for optimizing existing buffer recipes for chromatofocusing or ampholyte displacement chromatography or for creating new, properly tailored, buffer mixtures.

Anions↗