U.S.-Mexico: Hydrolysis of Phosphate Esters

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9313268 Adamowicz This U.S.-Mexico award will support a collaboration between Professor Ludwik Adamowicz of the University of Arizona and Professor Ivan Ortega Blake of the Institute of Physics of the National Autonomous University of Mexico (UNAM) in Cuernavaca, Mexico. The collaborators intend to work on the hydrolysis of phosphate esters using a combination of ab initio quantum theory, molecular dynamics, and molecular modeling. The goal of the study is to elucidate the molecular mechanisms as well as determine the most effective mediators which enhance or inhibit phosphate bond hydrolysis. The importance of the phosphate bond can hardly be overestimated. Its critical role in biological systems in constantly upgraded: it is not only relevant to the process of ATP synthesis and hydrolysis, but also there is increasing evidence of it being involved in all sorts of processes through phosphorylation/dephosphorylation, and as a trigger mechanism in multiple second phenomena. The proposed work will be conducted as a collaborative effort through mutual contacts, visits, a student exchange program, and electronic communication. The long term goal of the project is to advance our understanding of a crucial biological process as a source of bioenergy. ***