NMR studies on the molecular dynamics of hydrogen bonded liquids in nanoscopic confinements

在这个计画中，我们打算利用核磁共振实验来研究奈米尺度下的氢键液体。特别是，我们将确定的封闭液体的分子动力学的大小，亲水性，和柔软度的限制几何形状的函数，考虑复杂的相行为的可能性。在该项目的过程中，所研究的guesthost系统的复杂性将增加，从简单到复杂的流体，从均匀到非均匀的约束。这样，将确保知识从简单的模型转移到精心制作的材料。在开始时，研究将集中在水-酒精混合物的定义明确的大小，亲水性，和柔软度的限制。这种方法将使我们能够开发一个基本的理解，对潜在的微相分离的背景下，在界面上的限制几何形状的属性的液体动力学的依赖。之后，计划考虑日益复杂的宾主系统。最后，我们将讨论蛋白质与水和共溶剂一起存在于由大分子拥挤物提供的无序基质中。对于后者的系统，短程和长程动力学的关系和蛋白质和溶剂运动的耦合是要理解的，这对生物功能起着决定性的作用。我们的研究旨在利用NMR的能力。该方法的同位素选择性将使我们能够单独确定所考虑的混合物的各个组分的分子动力学的限制效应。在这样做时，将利用当结合各种NMR技术时可访问的宽动态范围和宽温度间隔中的运动。此外，我们将利用NMR实验，特别是受激回波实验，不仅提供了速率的见解，而且还提供了分子动力学的机制。最后，我们将利用在均匀和不均匀磁场中进行NMR实验时，研究各种长度尺度上的运动的可能性。

In this project, we intend to investigate hydrogen bonded liquids in nanoscopic confinements using NMR experiments. In particular, we will ascertain the molecular dynamics of the confined liquids as a function of the size, hydroaffinity, and softness of the confining geometry, considering the possibility of complex phase behavior. In the course of the project, the complexity of the studied guesthost systems will be increased, proceeding from simple to complex fluids and from homogeneous to heterogeneous confinements. In this way, knowledge transfer from simple models to elaborate materials will be ensured. At the beginning, the studies will focus on water-alcohol mixtures in confinements of well-defined size, hydroaffinity, and softness. This approach will allow us to develop a basic understanding of the dependence of liquid dynamics on the properties of the confining geometry against the background of potential microphase segregation at interfaces. Afterwards, it is planned to consider increasingly complex guest-host systems. At the end, we will deal with proteins residing together with water and cosolvent in a disordered matrix provided by macromolecular crowders. For the latter systems, the relations of short-ranged and long-ranged dynamics and the couplings of protein and solvent motions are to be understood, which play a decisive role for biological functions. Our studies intend to exploit the capabilities of NMR. The isotope selectivity of the method will allow us to separately ascertain confinement effects for the molecular dynamics of the individual components of the considered mixtures. In doing so, it will be utilized that motions in wide dynamic ranges and broad temperature intervals are accessible when combining various NMR techniques. Moreover, we will make use of the fact that NMR experiments, in particular, stimulated-echo experiments, provide insights into not only the rates, but also the mechanisms for molecular dynamics. Finally, we will take advantage of the possibility to investigate motions on various length scales, when performing NMR experiments in both homogeneous and inhomogeneous magnetic fields.