U.S.-Mexico: Hydrolysis of Phosphate Esters

9313268 Adamowicz这一美国-墨西哥奖项将支持亚利桑那大学的Ludwik Adamowicz教授和墨西哥库埃纳瓦卡的墨西哥国立自治大学(UNAM)物理研究所的Ivan Ortega Blake教授之间的合作。合作者打算使用从头算量子理论、分子动力学和分子建模相结合的方法来研究磷酸酯的水解。这项研究的目的是阐明分子机制以及确定最有效的介体来促进或抑制磷酸键的水解。磷酸键的重要性怎么估计都不为过。它在生物系统中的关键作用不断升级：它不仅与ATP的合成和水解过程有关，而且越来越多的证据表明，它通过磷酸化/去磷酸化参与各种过程，并作为多秒现象的触发机制。拟议的工作将通过相互联系、访问、学生交换计划和电子通信作为合作努力进行。该项目的长期目标是促进我们对作为生物能源来源的关键生物过程的理解。***

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. ***