The results presented in the proposal of prize are related to the field of computational and theoretical modelling of the structure and reactivity of flavanol type flavonoids. There are worlwide exposed, for the first time, the results of the application of quantum mechanical methods of computational chemistry to the study of the structures of monomers and dimers of these compounds, solvent’s effects on their structures and condensation mechanisms, the formation of metallic complexes and the study of their interaction with the 20 amino acids of proteins.
The most outstanding original and novel aspects of this result are:
The scientific production of this work in the four years of its development is: The successful defense of a doctorate work, the defense of two diploma works, publication of 5 articles in international magazines, two of them of the Web of Science with an impact index of 1.007 for Theochem, where there are 2 works and 1,392 for the Journal of Quantum Chemistry, where there is one. One of the articles is reported as the fifth more read article in 2005 in the Journal of Molecular Structure: THEOCHEM. The publication of 3 works in national magazines in electronic version, the presentation of works in 17 events of national and international character and 3 scientific-technical results obtained at center and organism level in the years 2001, 2002 and 2003.