U.S.-Argentina Cooperative Research: 170 NMR and TheoreticalStudies of Flavonoids and Related Compounds

该奖项将支持大学之间的合作 犹他州化学系（大卫格兰特和安妮塔 Orendt）和犹他州超级计算研究所（Julio Facelli）， 和布宜诺斯艾利斯大学有机系 化学（Alicia Pomilio）和物理系（Ruben 孔特雷拉斯）。 该项目的目的是更好地了解 类黄酮及其相关化合物的电子结构， 使用17 O NMR和量子力学方法。 香料是阿根廷本土植物的天然产物， 以其治疗效果而闻名。 预计在 该项目的研究结果将导致一个合理的 了解相关的结构-活性关系 并可能有助于发现新药。 黄酮类化合物的分离、合成及结构鉴定 这些化合物的元素分析和NMR参数将 在布宜诺斯艾利斯完成。 0-17核磁共振化学屏蔽 化学屏蔽的测量和从头计算 将在犹他州进行。 的 在布宜诺斯艾利斯合成0-17标记的类黄酮将使 固态0-17 NMR研究是可行的。

This award will support collaboration between the University of Utah Department of Chemistry (David Grant and Anita Orendt) and the Utah Supercomputing Institute (Julio Facelli), and the University of Buenos Aires Department of Organic Chemistry (Alicia Pomilio) and Department of Physics (Ruben Contreras). The aim of the project is to better understand the electronic structure of flavonoids and related compounds, using 17O NMR and quantum mechanical methods. Flavonoids are natural products of plants native to Argentina, known for their therapeutic effects. It is expected that research results from this project will lead to a rational understanding of the relevant structure-activity relationships of flavonoids and potentially to the discovery of new drugs. The isolation and synthesis of flavonoids and the confor- mational analysis and NMR parameters of these compounds will be done in Buenos Aires. The 0-17 NMR chemical shielding measurements and ab initio calculations of chemical shielding as a function of conformation will be done in Utah. The synthesis of 0-17 labeled flavonoids in Buenos Aires will make the solid state 0-17 NMR studies feasible.