Xenon as a Probe of Internal Space in Fluids and Porous Media

伊利诺伊大学芝加哥分校的Cynthia Jameson教授得到了实验物理化学项目的支持，该项目利用氙气原子来探测难以研究的环境，如沸石、聚合物和生物分子的内部，以进行核磁共振研究。她的目标是将这些实验与化学位移参数的从头算预测和更标准的蒙特卡罗统计模型结合起来，开发出一种准确的定量方法--氙气核磁共振。氙气核磁共振被广泛应用于固体样品的研究，但尚未充分发挥其潜力。例如，她的团队将开发准确测定分子在沸石空腔中竞争吸附的方法，这是理解沸石催化能力的关键参数。我们将研究反离子在阳离子交换沸石中的作用，以及对这些体系的一些动力学和动力学研究。这些实验将为改进氙气与共吸附体(或分子筛壁)之间的势面以及沸石中吸附的统计模型提供新的理论依据。沸石的经验将被应用于液体、聚合物和生物系统的结构问题。詹姆逊教授将主要进行理论研究，分析环糊精、聚合物、聚合物混合物以及球状蛋白质(如肌红蛋白)中的Xenon核磁共振信号，目的是了解这些微均相化学环境的结构。核磁共振(NMR)是更著名的医学方法磁共振成像(MRI)的化学版本。随着氙气核磁共振等新技术的发展，人们越来越多地使用核磁共振来了解固体、液体和气体的基本结构特征，而氙气核磁共振已被用于研究固体结构。这项研究也是及时的，因为最近超极化氙气用于成像(包括临床应用)。除了催化界对沸石的研究感兴趣外，这项工作最终还将用于微孔固体的其他应用，如分离。詹姆森教授在她的实验室里是一位杰出的女性和少数族裔导师。

Professor Cynthia Jameson of the University of Illinois at Chicago is supported in the Experimental Physical Chemistry program to perform Nuclear Magnetic Resonance (NMR) studies utilizing Xenon atoms to probe environments difficult to study such as the interior of zeolites, polymers and biomolecules. Her goal is to use these experiments together with ab initio predictions of chemical shift parameters and more standard Monte Carlo statistical models to develop Xenon NMR as an exact quantitative method. Xenon NMR is widely used to study solid samples, but it has not yet been exploited to its full potential. For example, her group will develop the method for accurate determination of competitive adsorption of molecules in zeolite cavities, a key parameter in understanding the catalytic power of zeolites. The effect of counterions in cation-exchanged zeolites will be studied, as well as some kinetics and dynamical studies on these systems. The experiments will provide testing grounds for new theory - improving the potential surfaces between Xenon and coadsorbates (or the zeolite wall) as well as the statistical models for adsorption in zeolites. The experience with zeolites will then be applied to the problem of structure of liquids, polymers, and biological systems. Professor Jameson will conduct mainly theoretical studies analyzing Xenon NMR signals in cyclodextrin, polymers, polymer blends and in globular proteins such as myoglobin, with the goal of understanding the structures of these microheterogeneous chemical environments.Nuclear magnetic resonance (NMR) is a chemical version of the more well-known medical method Magnetic Resonance Imaging (MRI). The use of NMR for understanding basic structural features of solids, liquids, and gases is increasing with the development of new techniques such as Xenon NMR, which has been used to study solid-state structures. The research is timely also due to the recent use of hyperpolarized Xenon for imaging (including clinical applications). In addition to interesting the catalysis community studying zeolites, the work will ultimately be of use in other applications of microporous solids such as separations. Professor Jameson is well known as an outstanding mentor of women and minorities in her laboratories.