Title: From Metabolic Pathways to Tissue Engineering: A Journey with Molecular Thermodynamics

Abstract:
The recent advances in mass spectrometry instrumentation have made quantum ion thermochemistry a most exciting field. In an effort to rationalize the search for feasible metabolic pathways, quantum thermochemical calculations were conducted for key metabolites such as aminoacids/ oligopeptides, saccharides/carbohydrates and nucleosides in their neutral, protonated and deprotonated state, Wherever available, accurate mass-spectrometric gas phase acidities and basicities were used for corroboration of the quantum chemical calculations. Comprehensive comparative tables are now available for the formation quantities of these heavy neutral and ionic metabolites. These data are combined with hydration calculations for the assessment of metabolic pathway feasibilities in aqueous solutions. The key issue of COSMO calculation for hydration is critically discussed in relation with alternative calculation routes. Appropriateness of the moments of σ-profiles or COSMOments for use as molecular descriptors is examined through the development of a QSPR-type predictive scheme for basic thermodynamic quantities of mixtures. The derived partial solvation parameters (PSPs) appear to be a simple yet powerful thermodynamic predictive tool. The perspectives for casting PSPs into an equation-of-state formalism are discussed with two major applications in mind: a) search for metabolic pathways at remote conditions of temperature and pressure and, b) design of supercritical fluid processing of biocompatible polymers for tissue engineering scaffolding. The challenging issues of scaffold preparation are discussed and the capacity of molecular thermodynamics along with nucleation theory to assist in their resolution are examined. The usefulness of derived concepts for the rational design for bio/nano-materials are also discussed.

BIO:
Costas G. Panayiotou got his Chemical Engineering Diploma from the National Technical University of Athens – Greece and his PhD in Chemical Engineering from McGill University, Montreal – Canada in 1982. He was elected assistant professor at the Department of Chemical Engineering of Aristotle University of Thessaloniki – Greece in 1984. In 1991 he was elected associate professor and in 1997 full professor at the same Department, where he is continuing his career. He took various positions at his University such as member of the senate, director of the section of chemistry, and member of the strategic planning committee. He was the coordinator of 35 national and international research projects in the areas of polymeric materials, supercritical fluids, ionic liquids, nanocomposites, nanofibers, interfaces , biomaterials, tissue engineering and conservation science for works of art. He collaborates with numerous universities and research teams worldwide. He spent sabbatical leaves at the University of Texas – Austin, and at Ecole Polytechnique Federale de Lausanne – Switzerland. He supervised over 200 Master theses and 25 PhD theses. He published over 200 articles in peer reviewed journals ( 5200 citations , h-index = 41) and served in the editorial boards of various international scientific journals.

Coffee/the and cake will be served.