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

正交光谱分析和化学计量学相结合，作为校准和自我优化化学过程的 PAT 工具 (NMRplusX)

• 批准号: 530118-2018
• 负责人: Hein, Jason
• 金额: $ 4.01万
• 依托单位: University of British Columbia
• 依托单位国家: 加拿大
• 项目类别: Collaborative Research and Development Grants
• 财政年份: 2020
• 资助国家: 加拿大
• 起止时间: 2020-01-01 至 2021-12-31
• 项目状态: 已结题
• 来源: https://www.nserc-crsng.gc.ca/ase-oro/Details-Detailles_eng.asp?id=697950
• 关键词: Combined; orthogonal; spectroscopic; analysis; chemometrics

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.

实时可视化化学反应的能力是一种非常强大且急需的工具。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并研究新的催化剂。同时，需要这项技术来安全地控制生产和制造过程。许多分析技术已适用于实时探测化学反应，然而，大多数分析技术对可研究的反应类型有严格的限制，或者需要付出巨大的努力来准备用于可视化的样品。对于核磁共振 (NMR) 分析尤其如此。尽管通过该技术可以获得丰富的动力学和结构信息，但采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集成一个高效的工作流程，允许快速、准确地探测任何反应，并且对所研究的系统的干扰最小。 同样重要的是软件能够无缝集成来自多种正交技术的分析数据。 该项目将通过 Nanalysis Corp. (NAN)、Trout GmbH (TRT)、弗劳恩霍夫微工程和微系统研究所 (IMM) 以及不列颠哥伦比亚大学 (UBC) 海因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一雄心勃勃的技术平台所需的专业知识。