Simulations and Novel Catalytic Schemes for Sensitivity Enhancement in Biomedical Applications of Magnetic Resonance by Para-Hydrogen Induced Nuclear Polarization

通过仲氢诱导核极化增强磁共振生物医学应用灵敏度的模拟和新颖催化方案

• 批准号: 90662842
• 负责人: Professor Dr. Gerd Buntkowsky
• 金额: --
• 依托单位: Fachgebiet Physikalische Chemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2009
• 资助国家: 德国
• 起止时间: 2008-12-31 至 2014-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/90662842?language=en
• 关键词: Simulations; Novel; Catalytic; Schemes; Sensitivity

There are two major obstacles in the successful application of para-hydrogen enhanced nuclear magnetic resonance techniques in Magnetic Resonance Tomography (MRT), namely the separation of the catalyst from the polarized reaction products and the prolongation and optimization of the life times of the created polarizations. The main goal of the present project is the detailed exploration of these obstacles and the development of new schemes for PHIP experiments which help to overcome them. This goal is based on two pillars. In the experimental part of the work we want to systematically study the application of immobilized homogeneous (supported) respectively heterogeneous catalysts. These catalysts are easily separable from the reactants and promise to solve the separation problem. We will study there polarization and cross-polarization efficiency as a function of the catalyst, support material and magnetic field strength. The hydrogenation of ethene and ethine are used as simple tests and the hydrogenation of drug precursors, as for example model anti-epileptica like Vigabatrin or Valproat are used as real world tests. These experiments are complemented by a systematic study of the recently discovered extended life time of nuclear singlet states, which can exceed the T1–limit by an order of magnitude. In parallel we want to develop a general simulation program for PHIP experiments at arbitrary field and under the presence of anisotropic interactions, as for example on the surface of a catalyst in the theoretical part. This simulation program will be used by us to analyze our own experiments and by the partner project by Bernarding and Bommerich to analyze their data.

仲氢增强核磁共振技术在磁共振断层扫描（MRT）中的成功应用存在两个主要障碍，即催化剂与极化反应产物的分离以及所产生的极化的寿命的延长和优化。本项目的主要目标是详细探索这些障碍并开发有助于克服这些障碍的 PHIP 实验新方案。这一目标基于两大支柱。在工作的实验部分，我们想要系统地研究固定化均相（负载）分别非均相催化剂的应用。这些催化剂很容易与反应物分离，有望解决分离问题。我们将研究极化和交叉极化效率与催化剂、支撑材料和磁场强度的关系。乙烯和乙炔的氢化用作简单的测试，药物前体的氢化，例如模型抗癫痫药如氨己烯酸或丙戊酸用作现实世界的测试。这些实验得到了对最近发现的核单线态寿命延长的系统研究的补充，该寿命可以超过 T1 极限一个数量级。与此同时，我们希望为任意场和存在各向异性相互作用的 PHIP 实验开发通用模拟程序，例如理论部分的催化剂表面。我们将使用该模拟程序来分析我们自己的实验，并由 Bernarding 和 Bommerich 的合作伙伴项目来分析他们的数据。