Design of Chelating Ligands Using Molecular Modeling

这个职业发展奖的妇女是在 无机，生物无机和有机化学课程 苏珊·C博士维克大学化学系的杰克斯 森林大学。 该项目的长期目标是利用 计算分子模型作为设计的工具， 螯合配体。 大的螯合配体可以包围并 螯合剂，即螯合金属离子，并且可用于 用于提取金属离子的环境应用，包括 放射性的，从溶液中，并将其浓缩， 其他用途。 通过设计螯合配体， 条件下，它们可能更有效地分离特定的 金属. 他们也有发展的潜力 用于成像的含金属放射性药物 疗法 Jackels博士合成并鉴定了配体 在过去的这种类型，并将通过这个项目添加 分子建模专业知识，她的工具，可以 用于设计和评估其有效性。 这 该奖项将使她能够与计算专家合作， 在明尼苏达大学和巴特尔西北大学。

This Career Advnacement Award for Women is made in the Inorganic, Bioinorganic, and Organometallic Chemistry Program to Dr. Susan C. Jackels of the Chemistry Department, Wake Forest University. The long-term goal of the project is to use computational molecular modeling as a tool for the design of chelating ligands. Large chelating ligands can surround and immobilize, that is, sequester metal ions and are useful in environmental applications for extracting metal ions, including radioactive ones, from solution and concentrating them for other uses. By designing chelating ligands for particular conditions, they may be more effective in separating specific metals. They also have potential in development of metal-containing radiopharmaceuticals for imaging and for therapy. Dr. Jackels has synthesized and characterized ligands of this sort in the past and will through this project add molecular modeling expertise to her repetoire of tools that can be used for design and evaluation of their effectiveness. This award will enable her to collaborate with computational experts at the University of Minnesota and at Battelle Northwest.