High-Resolution SEDOR and Switch Angle Sample Spinning Probes for Dipolar Recoupling

这项提议的首要目标是开发用于固体结构鉴定的新技术。PI建议通过利用核自旋之间的偶极耦合来实现这一点。这些耦合的强度与原子间的距离相关，因此提供了只有通过衍射技术才能获得的结构信息。与衍射法相比，核磁共振的优点在于不需要单晶，而且这种方法对通常在X射线衍射实验中看不到的质子非常敏感。PI率先将这项技术用于原子核自旋为1/2的原子核(如H、C、F、P)。在这个提议中，PI试图将这一技术扩展到自旋大于或等于1的四极核。事实上，元素周期表中的大多数元素都只具有四极自旋的磁性活性同位素。其中许多对于生物样品(Na、O)或材料研究(Li、Cs、V等)都是极其重要的。PI建议设计和建造新的核磁共振探针，并在一系列新的核磁共振实验中实施，以实现这一目标。结构解析是化学中的核心问题之一。对分子结构的了解有助于推断与分子功能的关系。这一知识对于开发新材料、提高我们的生活质量或创造新药物至关重要。使用衍射技术来确定材料的固态结构通常要求材料以其结晶或有序的形式存在。然而，特别是生物材料往往很难结晶，因此开发了像核磁共振(核磁共振)光谱分析这样的工具来帮助结构阐明。然而，核磁共振光谱也有其他局限性，例如灵敏度低得多，而且通常无法接触到其原子核受到非球形电荷分布影响的元素。元素周期表中的大多数元素都属于这一类，包括具有高度生物相关性的元素，如氧和钠。后者不能用固体核磁共振测量原子距离。西弗吉尼亚大学的古利安教授计划设计、开发和建造新的仪器，以便对这些无处不在的重要元素进行核磁共振测量。古利安教授将邀请本科生、研究生和博士后参与这项工作。他将通过在网络上传播的视频剪辑和在他的实验室举行的免费研讨会来分享他的技术诀窍。他将继续通过在幼儿园表演魔术表演来吸引我们最年轻的一代了解科学。

The overarching goal of this proposal is the development of new techniques for structure elucidation in the solid state. The PI proposes to accomplish this by exploiting dipolar couplings between nuclear spins. The strength of these couplings correlates with interatomic distances and thus provides structural information that is otherwise only accessible by diffraction techniques. The advantages of using nuclear magnetic resonance (NMR) over diffraction lie in the fact that single crystals are not required, and that the method is very sensitive to protons which are usually invisible in X-ray diffraction experiments. The PI pioneered this technique for nuclei with nuclear spin of 1/2 (such as H, C, F, P). In this proposal, the PI seeks to expand this technique to quadrupolar nuclei with a spin greater or equal than 1. In fact, most of the elements in the periodic table possess magnetically active isotopes only with quadrupolar spin. Many of these are extremely important for biological samples (Na, O) or materials research (Li, Cs, V, etc.) The PI proposes the design and construction of new NMR probes and their implementation in a series of new NMR experiments to achieve this goal. Structure elucidation is one of the central questions in chemistry. The understanding of molecular structure helps to deduce relationships with molecular function. This knowledge is crucial for the development of new materials that enhance the quality of our lives or allow for the creation of new drugs. Structure elucidation of materials in their solid state using diffraction techniques usually requires the material to be present in their crystalline, or well-ordered, form. However, especially biological materials are often difficult to crystallize and thus tools like nuclear magnetic resonance (NMR) spectrocopy have been developed to aid in structure elucidation. NMR spectroscopy has other limitations, however, such as a much lower sensitivity, and generally, the inaccessibility of elements whose nuclei suffer from a non-spherical charge distribution. The majority of elements in the periodic table falls into this category, and includes elements of high biological relevance such as oxygen and sodium. The latter are inaccessible to atomic distance measurements by solid state NMR. Professor Gullion from West Virginia University plans to design, develop and build new instruments that will allow NMR measurements on these ubiquitous and important elements. Professor Gullion will engage the help of undergraduate, graduate, and postdoctoral students in this endeavor. He will share his technical know-how via video clips disseminated over the web, and free workshops in his laboratory. He will continue to entice our youngest generation about science through magic shows performed at the kindergarten level.