The UK High-Field Solid-State NMR National Research Facility: EPSRC Capital Award for Core Equipment 2020/21

英国高场固态核磁共振国家研究设施：EPSRC 核心设备资本奖 2020/21

• 批准号: EP/V03622X/1
• 负责人: Steven Brown
• 金额: $ 31.86万
• 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: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FV03622X%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. Researchers in the physical and life sciences apply the technique 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 technological advances in NMR hardware.An important area of NMR hardware development is magic-angle spinning (MAS) probe design. MAS involves physical rotation of the sample within the NMR spectrometer to remove the effects of interactions which broaden and complicate solid-state NMR spectra. Fast MAS frequencies remove these interactions more efficiently, thereby improving both the sensitivity and resolution of NMR spectra so that more information can be obtained. Over the last 30 years, advances in MAS probe design have led to continual increases in maximum MAS frequencies - from ~30 kHz in the 1990s to ~60 kHz in the late 2000s, and to ~110 kHz in the mid 2010s. Very recently, a MAS frequency of ~200 kHz has become available. This represents a big jump in MAS frequency and provides an exciting opportunity to study systems with unprecedented detail as well as opening up systems that are inaccessible at lower MAS frequencies.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, which will soon be incorporated into the UK High-Field Solid-State NMR National Research Facility (NRF). Here, we propose to maximise the capability and impact of this world-leading Facility by combining the 1.0 GHz spectrometer with a state-of-the-art 200 kHz MAS probe. We also propose to procure a chiller unit to provide increased capability for low- and room-temperature measurements - something which is required to counteract the frictional heating of the sample that results from fast MAS. The availability of the state-of-the-art 200 kHz MAS probe will significantly increase the capabilities of the UK High-Field Solid-State NMR National Research Facility and help the UK to maintain its world-leading position in solid-state NMR research. The combination of the 1.0 GHz spectrometer with such fast MAS will enable experiments to be performed at the highest possible resolution and sensitivity; this is critical for NMR experiments on 1H nuclei and in correlation with other nuclei such as, 13C and 15N in systems such as pharmaceuticals, protein complexes and plant cells. The combination of high magnetic field and fast MAS is also important for studying quadrupolar nuclei, which make up over two thirds of the periodic table and are of great importance in materials science, but suffer from additional broadening interactions that complicate their observation at low magnetic fields and MAS frequencies. Use of the hardware will be supported by the highly experienced Facility Management Team (FMT) who will use their technical expertise to help users maximise the capabilities of the equipment. The FMT will also drive forward new methodological developments based upon the investment, leading to wider impact in the solid-state NMR research community. In addition, the Facility will actively engage with the UK NMR community to promote and raise awareness of the new hardware capabilities. This will be done through close interaction with the recently-established Connect NMR UK network funded by EPSRC, and also through the Facility's existing programme 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) 光谱是表征分子级结构和动力学的最强大的分析方法之一，物理和生命科学领域的研究人员应用它来解决药物、电池材料、此外，随着 NMR 硬件技术的进步，固态 NMR 作为一种分析技术的能力也在不断增强。 NMR 硬件开发的一个重要领域是魔角旋转 (MAS) 探针设计。 MAS 涉及物理轮换快速 MAS 频率可以更有效地消除这些相互作用，从而提高 NMR 光谱的灵敏度和分辨率，从而获得更多信息。在过去 30 年中，MAS 探头设计的进步导致最大 MAS 频率不断增加 - 从 1990 年代的约 30 kHz 到 2000 年代末的约 60 kHz，并且到 2010 年代中期，MAS 频率达到约 110 kHz，这代表了 MAS 频率的巨大飞跃，为研究具有前所未有的细节的系统以及开放系统提供了令人兴奋的机会。 UKRI 最近投资 2000 万英镑在英国范围内的高磁场 NMR 设施网络中认识到了高场 NMR 光谱的重要性。 2018 年。其中包括一台价值 800 万英镑的 1.0 GHz 光谱仪，具有英国最高场强，用于进行固态 NMR 测量，该光谱仪很快将被纳入英国高场固态 NMR 国家研究设施 (NRF)。我们还建议通过将 1.0 GHz 光谱仪与最先进的 200 kHz MAS 探头相结合来最大限度地发挥这一世界领先设施的能力和影响。采购冷却装置以提高低温和室温测量的能力 - 这是抵消快速 MAS 产生的样品摩擦加热所需的功能 最先进的 200 kHz MAS 探头的可用性。 1.0 GHz 波谱仪与英国高场固态核磁共振国家研究设施的结合将显着提高英国高场固态核磁共振国家研究设施的能力，并帮助英国保持其在固态核磁共振研究方面的世界领先地位。如此快速的 MAS 将使实验能够以尽可能高的分辨率和灵敏度进行；这对于 1H 核以及与药物、蛋白质复合物和植物细胞等系统中的 13C 和 15N 等其他核的 NMR 实验至关重要。高磁场和快速 MAS 的结合对于研究四极核也很重要，四极核占元素周期表的三分之二以上，在材料科学中非常重要，但会受到额外的拓宽相互作用的影响，这使得在经验丰富的设施管理团队 (FMT) 将支持硬件的使用，他们将利用其技术专业知识帮助用户最大限度地发挥设备的功能。FMT 还将推动基于新方法的开发。投资后，将在固态核磁共振研究界产生更广泛的影响。此外，该机构将积极与英国核磁共振界合作，以促进和提高对新硬件功能的认识。这将通过与英国核磁共振界的密切互动来实现。最近成立的 Connect NMR英国网络由 EPSRC 资助，并通过该机构的现有计划，通过一系列外展和参与活动，扩大 NMR 社区之外的用户群并使其用户群多样化。