Origin and use of quantum-rotor induced polarization in NMR

核磁共振中量子转子诱发极化的起源和应用

• 批准号: 265750706
• 负责人: Professor Dr. Jörg Matysik
• 金额: --
• 依托单位: Institut für Physikalische Chemie und Elektrochemie
• 依托单位国家: 德国
• 项目类别: Research Grants
• 财政年份: 2015
• 资助国家: 德国
• 起止时间: 2014-12-31 至 2020-12-31
• 项目状态: 已结题
• 来源: https://gepris.dfg.de/gepris/projekt/265750706?language=en
• 关键词: Origin; use; quantum; rotor; induced

NMR spectroscopy is known as versatile but insensitive analytical method. To increase sensitivity, several hyperpolarisation methods as dynamic nuclear polarisation (DNP) receive presently great attention. Quantum-rotor induced polarisation (QRIP), also called Haupt-effect, originates from the coupling of nuclear spin states to rotational quantum states. Here, in a collaborative effort between spectroscopy and theory, we will aim for developing QRIP effects into a more generally applicable method for signal enhancement in NMR spectroscopy. Since the effect is mainly based on omnipresent methyl groups, this might have an enormous potential for studying proteins and polymers. There is also strong experimental evidence for involvement of the environment on the activity of a methyl group, which is beyond the present theory. To this end, we will aim for three milestones: (i) From test samples, showing the effect, we will construct structural models of the molecules in their crystal environment, (ii) from a theoretical understanding of the role of the environment we want to extract the structural motifs able to induce the QRIP effect, (iii) Testing these motifs by predictions obtained from structural databank searches to obtain full theoretical understanding of the QRIP effect.

核磁共振波谱被认为是一种通用但不敏感的分析方法。为了提高灵敏度，动态核极化（DNP）等几种超极化方法目前受到极大关注。量子转子诱发极化（QRIP），也称为豪普特效应，起源于核自旋态与旋转量子态的耦合。在这里，在光谱学和理论之间的合作努力中，我们的目标是将 QRIP 效应发展成一种更普遍适用的 NMR 光谱学信号增强方法。由于这种效应主要基于无处不在的甲基，因此这对于研究蛋白质和聚合物可能具有巨大的潜力。还有强有力的实验证据表明环境对甲基活性的影响，这超出了目前的理论。为此，我们将瞄准三个里程碑：（i）从显示效果的测试样本中，我们将构建晶体环境中分子的结构模型，（ii）从对环境作用的理论理解中，我们希望提取能够诱导 QRIP 效应的结构基序，（iii）通过从结构数据库搜索中获得的预测来测试这些基序，以获得对 QRIP 效应的完整理论理解。

项目成果

Simple device for dissolution and sample transfer for applications in spin-hyperpolarization

用于自旋超极化应用的溶解和样品转移的简单装置

• DOI: 10.1080/00268976.2018.1550224
• 发表时间: 2018
• 期刊: Molecular Physics
• 影响因子: 1.7
• 作者: Dietrich;Wissel;Knoche;Lorenz;Matysik
• 通讯作者: Matysik