The UK High-Field Solid-State NMR National Research Facility

英国高场固态核磁共振国家研究设施

• 批准号: EP/T015063/1
• 负责人: Steven Brown
• 金额: $ 309.81万
• 依托单位: University of Warwick
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2020
• 资助国家: 英国
• 起止时间: 2020 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FT015063%2F1
• 关键词: UK; Field; Solid; State; NMR

Solid-state nuclear magnetic resonance (NMR) spectroscopy is one of the most powerful analytical approaches for characterising molecular-level structure and dynamics. It is used by researchers in the physical and life sciences to address complex problems in systems as diverse as pharmaceuticals, battery materials, catalysis and protein complexes. Moreover, the power of solid-state NMR as an analytical technique is continually increasing in line with advances in NMR magnet technology. High magnetic fields maximise both the sensitivity and resolution of NMR spectra, meaning that more information can be obtained. In particular, the recent availability of spectrometers with magnetic fields of 23.5 T (a 1H NMR frequency of 1.0 GHz) represents a huge opportunity to study materials and biological systems in greater detail than ever before.The importance of high-field NMR spectroscopy has been recognised by the UKRI's recent £20M investment in a UK-wide network of high magnetic field NMR facilities in 2018. This included a £8M 1.0 GHz spectrometer with the highest field in the UK for performing solid-state NMR measurements. Here, we propose to maximise the accessibility and impact of this world-leading spectrometer by combining it with the existing UK 850 MHz Solid-State NMR Facility to create a new UK High-Field Solid-State NMR National Research Facility. A range of magic angle spinning probes will be provided, from fast spinning (up to 111 kHz) facilitating proton-detected 13C and 15N experiments for the analysis of pharmaceuticals and protein complexes, to slower spinning larger volume systems that benefit the analysis of low-abundance and quadrupolar nuclei including 25Mg, 45Sc and 71Ga widely studied in materials science. In each instance, the sensitivity and resolution obtained from these samples is enhanced through their analysis at high magnetic fields.The availability of two state-of-the-art solid-state NMR spectrometers, both with the potential to drive new developments in the field, together with a suite of specialist and custom-made NMR probes, within a single National Research Facility will allow both increased capacity and capability for UK NMR research. The combination of the 1.0 GHz spectrometer with ultrafast magic-angle spinning probes will enable experiments to be performed at the highest possible resolution and sensitivity, something which is critical for observing and correlating nuclei such as 1H, 13C and 15N in systems such as pharmaceuticals, protein complexes and plant cells. The high magnetic field is also particularly important for studying quadrupolar nuclei, which make up over one third of the periodic table and are of great importance in both materials and biological science, but suffer from additional broadening interactions that complicate their observation at low magnetic fields. At the same time, the 850 MHz spectrometer has a larger bore size so it can accommodate more specialist NMR probes e.g., high-temperatures up to 1000 K. This example is especially important for studying e.g., ion dynamics in battery and fuel cell materials or in situ reaction and crystallisation processes, where the ability to heat the sample over a wide temperature range is paramount. In addition, the 850 MHz spectrometer can accommodate more exotic NMR probe designs such as double-rotation probes for acquiring high-resolution spectra of quadrupolar nuclei.The sustainable operation of the new Facility will based on the key factors that have enabled the success of the existing 850 MHz Facility: dedicated Facility Manager support and genuine nationwide buy-in achieved through the Facility Executive and an independent time allocation procedure. In addition, the Facility will actively engage with the UK NMR community through close interaction with the recently-established Connect NMR UK network, continuing to grow and diversify its user base beyond the NMR community through a range of outreach and engagement activities.

固态核磁共振（NMR）光谱是表征分子水平结构和动力学的最强大的分析方法之一。它被物理和生命科学领域的研究人员用来解决制药、电池材料、催化和蛋白质复合物等各种系统中的复杂问题。此外，固态NMR作为分析技术的能力随着NMR磁体技术的进步而不断增加。高磁场最大限度地提高了NMR光谱的灵敏度和分辨率，这意味着可以获得更多的信息。特别是，最近推出的23.5 T磁场（1H NMR频率为1.0 GHz）光谱仪为更详细地研究材料和生物系统提供了巨大的机会。UKRI最近在2018年对英国范围内的高磁场NMR设施网络投资2000万英镑，这已经认识到高场NMR光谱的重要性。这包括一个价值800万英镑的1.0 GHz光谱仪，具有英国最高的磁场，用于进行固态NMR测量。在这里，我们建议通过将其与现有的英国850 MHz固态NMR设施相结合，最大限度地提高这一世界领先的光谱仪的可访问性和影响力，以创建一个新的英国高场固态NMR国家研究设施。将提供一系列魔角旋转探针，从快速旋转（高达111 kHz）促进用于药物和蛋白质复合物分析的质子检测13 C和15 N实验，到慢速旋转较大体积系统，有利于分析低丰度和四极核，包括材料科学中广泛研究的25 Mg，45 Sc和71 Ga。在每种情况下，通过在高磁场下进行分析，从这些样品中获得的灵敏度和分辨率都得到了提高。两台最先进的固态核磁共振光谱仪的可用性，都有可能推动该领域的新发展，以及一套专业和定制的核磁共振探针，在一个国家研究机构内，将允许增加英国核磁共振研究的容量和能力。1.0 GHz光谱仪与超快魔角旋转探针的结合将使实验能够以尽可能高的分辨率和灵敏度进行，这对于观察和关联药物，蛋白质复合物和植物细胞等系统中的1H，13 C和15 N等核至关重要。高磁场对于研究四极核也特别重要，四极核占周期表的三分之一以上，在材料和生物科学中都非常重要，但在低磁场下会受到额外的加宽相互作用的影响，使观察复杂化。同时，850 MHz光谱仪具有更大的孔径，因此可以容纳更多的专业NMR探头，例如，高温可达1000 K。这个例子对于学习特别重要，例如，电池和燃料电池材料中的离子动力学或原位反应和结晶过程，其中在宽温度范围内加热样品的能力至关重要。此外，850 MHz光谱仪还可以适应更奇特的核磁共振探针设计，例如用于获取四极核高分辨率光谱的双旋转探针。新设施的可持续运营将基于使现有850 MHz设施取得成功的关键因素：专门的设施经理支持和通过设施执行和独立的时间分配程序实现的真正的全国范围内的买进。此外，该设施将通过与最近建立的Connect NMR UK网络密切互动，积极与英国NMR社区互动，通过一系列推广和参与活动，继续扩大其用户群并使其多样化。