Combined orthogonal spectroscopic analysis and chemometrics as PAT tool for calibration and self-optimizing chemical processes (NMRplusX)

实时可视化化学反应的能力是一个非常强大和急需的工具。实时反馈使化学研究人员能够加快研究和发现过程，使他们能够更快地识别新的转化和研究新的催化剂。与此同时，需要这项技术来安全地控制生产和制造过程。许多分析技术已被用于实时探测化学反应，然而，大多数分析技术对可以研究的反应类型有严格的限制，或者需要大量的工作来准备用于可视化的样品。这对于通过核磁共振（NMR）进行的分析尤其如此。尽管这一技术提供了丰富的动力学和结构信息，但取样和分析的技术挑战阻碍了其广泛应用。面临的挑战是设计和整合一个有效的工作流程，使任何反应都可以快速，准确地探测，并以最小的干扰下研究的系统。 同样重要的是，软件可以无缝集成来自多个正交技术的分析数据。 该项目将通过Nanalysis Corp.（NAN），Trout GmbH（TRT），Fraunhofer微工程和微系统研究所（IMM）和不列颠哥伦比亚省大学（UBC）的Hein实验室之间的四部分合作伙伴关系开发新的硬件和软件技术。这个综合性的国际团队分别展示了成功构建和部署这个雄心勃勃的技术平台所需的专业知识。

The ability to visualize a chemical reaction in real-time is a very powerful and much needed tool. Real-time feedback allows chemical researchers to expedite the research and discovery process; allowing them to more rapidly identify new transformations and study new catalysts. At the same time, this technology is needed to safely control production and manufacturing processes. Many analytical techniques have been adapted to probe chemical reactions in real-time, however, most have serious restrictions on the kind of reaction that can be investigated, or require significant effort to prepare samples for visualization. This is especially true for analysis by Nuclear Magnetic Resonance (NMR). Despite the wealth of kinetic and structural information available through this technique, broad application has been hampered by the technical challenges of sampling and analysis. The challenge is to design and integrate an efficient workflow that allows any reaction to be probed quickly, accurately and with minimal perturbation of the system under study. Equally important is the software to allow seamless integration of analytical data from multiple orthogonal techniques. This project will develop new hardware and software technology through a four-part partnership between Nanalysis Corp. (NAN), Trout GmbH (TRT), the Fraunhofer Institute for Microengineering and Microsystems (IMM) and the Hein lab at the University of British Columbia (UBC). This comprehensive international team has separately demonstrated the required expertise to successfully build and deploy this ambitions technology platform.