PHIP-X: efficient hyperpolarization of small molecules in solution using proton exchange

核自旋的超极化是近年来发展迅速的一个非常有趣的研究领域。然而，到目前为止，还没有一种方法可以使分子在溶液中容易、快速、普遍地极化；所有已知的超极化技术都局限于特定的分子或物质状态（例如，气体、固体、不饱和或ir交换化合物）。一种相对广泛适用于液态的方法将是非常有价值的，例如，用于高分辨率磁共振光谱。解决这个问题的一个有趣的方法是极化质子的交换。这种方法在原则上是可行的，但只适用于极低的极化，或相对缓慢的极化（DNP）。最近，我们介绍了一种新方法，可以在几秒钟内交换高度极化的质子。在这里，对氢的自旋顺序通过质子交换从一个转移分子转移到第三个分子。该方法结合了氢化对氢诱导极化（PHIP）的简单性和高极化产率，以及质子交换极化转移的广泛适用性。本提案的目标是探索和优化该方法在化学和生物方面的应用。为此，我们首先要详细分析该方法，然后将获得的见解应用于实验。

The hyperpolarization of nuclear spins is an extremely interesting field of research that has developed rapidly in recent years. So far, however, there is no method that allows molecules to be polarized easily, quickly, and generically in solution; all known hyperpolarization techniques are restricted to particular molecules or states of matter (e.g., gases, solids, unsaturated or Ir-exchanging compounds). A comparatively broadly applicable method for the liquid state would be extremely valuable, for example, for high-resolution magnetic resonance spectroscopy. An interesting approach to address this problem is the exchange of polarized protons. That this method works in principle has already been shown - but only with quite low polarizations, or after relatively slow polarizations (DNP). Recently, we have introduced a new method that allows exchanging protons to be highly polarized within a few seconds. Here, the spin order of parahydrogen is transferred from a transfer molecule to a third molecule via proton exchange. This method combines the simplicity and high polarization yields of hydrogenative parahydrogen induced polarization (PHIP) with the broad applicability of polarization transfer via proton exchange. The goal of this proposal is to explore and optimize this method with respect to chemical and biological applications. For this purpose, we first want to analyze the method in detail, and then apply the gained insights experimentally.