Improving NMR Resolution and Sensitivity - Simultaneously?

同时提高 NMR 分辨率和灵敏度？

• 批准号: EP/L018500/1
• 负责人: Gareth Morris
• 金额: $ 43.42万
• 依托单位: University of Manchester
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2014
• 资助国家: 英国
• 起止时间: 2014 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FL018500%2F1
• 关键词: Improving; NMR; Resolution; Sensitivity; Simultaneously

Knowing the structures and behaviour of molecules is of critical importance in understanding the world around us and in using chemistry to develop new materials. The most useful method for determining molecular structure is NMR spectroscopy. Each hydrogen atom in a molecule - and most molecules contain many - produces a family of signals known as a multiplet. The position of the multiplet within the spectrum (the chemical shift) depends on the local environment of the atom; the multiplet structure depends on interactions (scalar couplings) with nearby atoms. As our understanding of chemistry and biochemistry advances, the species we need to study increase in size and complexity. The number of NMR signals grows accordingly, leading to very crowded, and difficult to interpret, NMR spectra. Chemists and life scientists fight a continual battle to extract structural information from the complex sets of overlapping multiplets that are found in most NMR spectra.Our research will produce a series of NMR methods that produce spectra in which the multiplet structure has been suppressed, with a single signal for each hydrogen atom (a "pure shift" spectrum). We will show how reducing the complexity of NMR spectra can be achieved simply and efficiently, with applications across a wide range of disciplines. Existing pure shift NMR methods are both complex and time-consuming to use; the new family of real-time pure shift experimental methods have the potential to be as simple and as quick to run as normal NMR experiments, but without the complications introduced by multiplet structure. The structural information that scalar couplings provide can still be accessed, by incorporating the new pure shift methods into multidimensional NMR experiments Real-time pure shift NMR methods will find use across a wide range of academic research areas and industrial sectors including chemistry, biochemistry, biology, pharmaceuticals, healthcare, agrochemistry, and flavours and fragrances. They also have the potential to offer a key advance in the automated determination of chemical structure by NMR, removing the need for software to deconvolute the complex two-dimensional multiplets seen in many of the types of spectra currently used for this.

了解分子的结构和行为对于理解我们周围的世界和利用化学开发新材料至关重要。测定分子结构最有用的方法是核磁共振波谱法。分子中的每个氢原子——大多数分子包含许多氢原子——产生一系列被称为多重信号。多态在光谱中的位置（化学位移）取决于原子的局部环境；多重结构依赖于与附近原子的相互作用（标量耦合）。随着我们对化学和生物化学理解的进步，我们需要研究的物种的大小和复杂性也在增加。核磁共振信号的数量随之增加，导致核磁共振谱非常拥挤，难以解释。化学家和生命科学家一直在为从大多数核磁共振光谱中发现的复杂的重叠多胞胎中提取结构信息而斗争。我们的研究将产生一系列核磁共振方法，这些方法产生的光谱中，多重结构被抑制，每个氢原子有一个单一的信号（“纯移位”光谱）。我们将展示如何通过广泛的学科应用，简单有效地降低核磁共振谱的复杂性。现有的纯位移核磁共振方法既复杂又耗时；新的实时纯位移实验方法家族具有像普通核磁共振实验一样简单和快速运行的潜力，但没有多重结构引入的复杂性。通过将新的纯位移方法整合到多维核磁共振实验中，标量耦合提供的结构信息仍然可以被访问。实时纯位移核磁共振方法将在广泛的学术研究领域和工业部门中得到应用，包括化学、生物化学、生物学、制药、医疗保健、农业化学、香料和香料。它们也有可能在通过核磁共振自动测定化学结构方面取得关键进展，从而消除了软件对目前用于此的许多类型的光谱中复杂的二维多重波进行反卷积的需要。

项目成果

The GNAT: A new tool for processing NMR data.

• DOI: 10.1002/mrc.4717
• 发表时间: 2018-06
• 期刊: Magnetic resonance in chemistry : MRC
• 作者: Castañar L;Poggetto GD;Colbourne AA;Morris GA;Nilsson M
• 通讯作者: Nilsson M

Ultra-high dispersion NMR reveals new levels of detail

超高色散核磁共振揭示了新的细节水平

• DOI: 10.1039/c5ra10192a
• 发表时间: 2015
• 期刊: RSC Advances
• 影响因子: 3.9
• 作者: Aguilar J

A new tool for NMR analysis of complex systems: selective pure shift TOCSY

• DOI: 10.1039/c6ra22807k
• 发表时间: 2016-01-01
• 期刊: RSC ADVANCES
• 影响因子: 3.9
• 作者: Dal Poggetto, G.;Castanar, L.;Nilsson, M.
• 通讯作者: Nilsson, M.