Solid-State Nuclear Magnetic Resonance (NMR) Spectroscopy of Unreceptive Nuclei from Across the Periodic Table

在化学系化学测量和成像项目的支持下，以及材料研究系固态和材料化学项目的部分共同资助下，佛罗里达州立大学的Robert Schurko教授和他的团队正在努力扩大固态核磁共振（SSNMR）的适用范围，SSNMR是分析各种化合物的重要工具，生物样本和先进材料SSNMR可能观察到的许多种类的原子据说是不可接受的，这意味着数据采集可能需要几天，几周甚至几个月才能完成。Schurko小组正在开发的新方法大大加速了NMR实验，从而扩展了我们表征对社会重要的材料的分子水平结构的能力。 这种理解的增加反过来可以导致改进的药物，催化剂，纳米颗粒，高能材料和其他材料。从事这项研究的本科生和研究生接受最先进的测量科学的跨学科培训。 Schurko博士还参与了国家高磁场实验室（MagLab）的STEM外展活动，他是NMR和磁共振成像用户计划的主任。 这些努力旨在向公众宣传NMR，包括高中学生的MagLab实习计划，K-12教师研究经验和Magnet Academy计划。 这些计划吸引了来自不同社会经济背景的不同群体的人。Schurko小组专注于开发和应用新方法，用于获取高质量的SSNMR光谱，其超宽谱线图案源自周期表中元素的非接受性核，旨在最大限度地提高信号均匀性，减少数据采集时间，并提高最终用户的易用性。目前正在制定方案，通过实验和模拟相结合的方式仔细监测核自旋行为。 新的脉冲序列和实验协议的目标自旋1/2，整数自旋，和半整数自旋核的直接激发/直接检测，宽带交叉极化，和间接检测方法的一般领域。这项研究需要仔细考虑脉冲持续时间和时间，并使用专门设计的扫频脉冲。针对最不受欢迎的原子核的项目利用超高磁场-包括35.2特斯拉串联混合磁体。所有新方法都提供给来自许多学科的研究人员（包括专家和非专家），他们可以使用它们来表征固体材料的结构。该奖项反映了NSF的法定使命，并被认为值得通过使用基金会的知识价值和更广泛的影响审查标准进行评估来支持。

With support from the Chemical Measurement and Imaging Program in the Division of Chemistry, and partial co-funding from the Solid State and Materials Chemistry Program in the Division of Materials Research, Professor Robert Schurko and his group at Florida State University are working to expand the range of applicability of solid-state nuclear magnetic resonance (SSNMR), an important tool for the analysis of a wide range of chemical compounds, biological samples, and advanced materials. Many kinds of atoms potentially observable with SSNMR are said to be unreceptive, meaning that data acquisition can take days, weeks, or even months to complete. The new methods being developed by the Schurko group accelerate the NMR experiments greatly, thereby expanding our ability to characterize the molecular level structures of materials important to society. This increase in understanding can, in turn, lead to improved pharmaceuticals, catalysts, nanoparticles, energetic materials, and other materials. Undergraduate and graduate students engaged in this research receive interdisciplinary training in state-of-the-art measurement science. Dr. Schurko is also involved in STEM outreach activities at the National High Magnetic Field Laboratory (MagLab), where he is the Director of the NMR and Magnetic Resonance Imaging User Program. These efforts seek to inform the general public about NMR, and include MagLab internship programs for high school students, K-12 Research Experiences for Teachers, and the Magnet Academy Program. These programs engage diverse groups of people from different socioeconomic backgrounds. The Schurko group focuses on the development and application of new methods for the acquisition of high-quality SSNMR spectra with ultra-wideline patterns originating from unreceptive nuclei from elements across the periodic table, aiming at maximizing uniform signal, reducing data acquisition times, and improving ease of execution for end users. Protocols are being developed to carefully monitor nuclear spin behavior via a combination of experiments and simulations. New pulse sequences and experimental protocols are targeting spin-1/2, integer-spin, and half-integer spin nuclei in the general areas of direct excitation/direct detection, broadband cross polarization, and indirect detection methods. This research requires careful consideration of pulse durations and timings, and the use of specially designed frequency-swept pulses. Projects targeting the most unreceptive nuclei exploit ultra-high magnetic fields – including the 35.2 Tesla series-connected hybrid magnet. All new methods are made available to researchers from many disciplines (both experts and non-experts), who can use them for structural characterization of solid materials.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.