A paradigm shift in low-field NMR spectroscopy for industrial process monitoring, control, and optimisation

用于工业过程监测、控制和优化的低场核磁共振波谱的范式转变

基本信息

批准号：
EP/M020983/1
负责人：
S Duckett
金额：
$ 99.35万
依托单位：
University of York
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2015
资助国家：
英国
起止时间：
2015 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FM020983%2F1
关键词：
paradigm shift low field NMR

项目摘要

We are all familiar with the concept of travel, and visiting York from Glasgow is conceptually a trial matter. When we reflect on this process, however, there are lots of potential questions we might ask about the mode of transport, the route and the potential to get lost. A similar range of questions could be asked about chemical reactions. We select starting materials and seek to transform them into products. The route we choose is equally complex. Now, however, the participants are much smaller and very special methods are needed to view them. Furthermore, with an optimal solution we get the most product from the least starting material using the least amount of energy and other resources as possible. If think of a reaction that is undertaken on the 1,000,000 tonne scale it is also clearly vital to minimise waste. In Chemistry, there is a very special and often expensive method called nuclear magnetic resonance spectroscopy (NMR) that allows us to take pictures of the participants as they travel from starting materials to products. This methods is normally very insensitive and hence very expensive large magnets are required. If we want to use this technology to deliver clean and efficient chemistry on an industrial scale we need to find a way to work with smaller lower cost magnets, ideally using the Earth's magnetic field. In this project we aim to develop a new method using such low-magnetic field NMR devices to follow the route taken by molecules during their conversion into high value products in both laboratory and industrial settings. We will use a special form of hydrogen gas, known as parahydrogen to increase the sensitivity of the NMR measurement to a level that will allow to achieve this goal. Parahydrogen was actually the fuel of the space shuttle and one might view it here as acting like a molecular microscope whilst at the same time removing (filtering) any unwanted signals from spectators to the reaction of interest. We will build-up our understanding of the reactions route by taking our NMR pictures which contains precise information about the identity of the participants (molecules) at different times after the start of the reaction. This means that we will monitor the same process several times in order to produce the necessary molecular level picture that will ultimately allow us to optimise our chosen reaction. The enhanced level of information that will be provided by our new device will enable scientists and industrialists to develop and optimise reactions in a way that was previously impossible and hence contribute more positively to society.

我们都熟悉旅行的概念，从概念上讲，从格拉斯哥访问约克是一个试验问题。但是，当我们反思这一过程时，我们可能会问很多有关运输方式，路线和丢失潜力的潜在问题。可以询问有关化学反应的类似问题。我们选择起始材料，并试图将它们转变为产品。我们选择的路线同样复杂。但是，现在，参与者要小得多，需要非常特殊的方法来查看它们。此外，使用最佳解决方案，我们使用最少的能量和其他资源从最少的起始材料中获得最多的产品。如果想到以1,000,000吨量表进行的反应，则显然至关重要。在化学方面，有一种非常特殊且通常昂贵的方法称为核磁共振光谱（NMR），使我们能够在参与者从起始材料传播到产品时为他们拍照。这种方法通常非常不敏感，因此需要非常昂贵的大磁铁。如果我们想使用这项技术在工业规模上提供清洁有效的化学反应，我们需要找到一种使用地球磁场的较小成本磁铁的方法。在这个项目中，我们旨在使用如此低磁场NMR设备开发一种新方法，以遵循分子在实验室和工业环境中转换为高价值产品时所采取的途径。我们将使用一种特殊的氢气形式（称为偏海生物学）将NMR测量的灵敏度提高到可以实现此目标的水平。寄生虫实际上是航天飞机的燃料，在这里可能将其视为分子显微镜的作用，同时删除（过滤）从观众到感兴趣反应的任何不需要的信号。我们将通过拍摄NMR图片来建立对反应途径的理解，该图片包含有关参与者（分子）在反应开始后的不同时间的精确信息。这意味着我们将多次监视相同的过程，以产生必要的分子级图片，最终使我们能够优化所选择的反应。我们的新设备将提供的增强信息水平将使科学家和工业家能够以以前不可能的方式发展和优化反应，从而对社会产生更大的贡献。