Leveraging Signal Deconvolution to Enable Reaction Monitoring using Bench-top Nuclear Magnetic Resonance

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The ability to visualize a chemical reaction in real-time is a very powerful process which allows for researchers to make informed decisions which can overall expedite research, enhance process safety, and/or promote reaction efficiency. In the modern laboratory, there are many process analytical tools (PATs) capable of providing such information, each with a unique set of benefits and limitations. Nuclear magnetic resonance (NMR) spectroscopy is a unique tool among them, as it can provide both detailed structural and quantitative insights into the system under study, without the need for external calibration. Despite having these advantages, traditional high-field (HF) NMR instrumentation suffers from large physical footprint and high purchase/maintenance cost, overall limiting its abilities to conveniently be applied in a synthetic laboratory. Low-field (LF) benchtop NMR spectrometers, on the other hand, avoid these physical and monetary limitations, allowing for real-time reaction monitoring to be accessible and routinely accessed in these settings. However, benchtop NMR is not a widely applied tool as the resultant data is harder to interpret and analyze for common nuclei (such as 1H, due to higher propensity for signal overlap and decrease in sensitivity) than data collected with HF instruments. This project will develop and validate new data processing and analysis workflow, utilizing a newly developed software solution, resulting in quantitative reaction monitoring to be more readily achieved with LF benchtop NMR. This will be done through a partnership between Nanalysis Corp. (NAN), and the Hein lab at the University of British Columbia (UBC). The goal of the project is to make benchtop NMR a more reliable PATs for reaction monitoring in both industry and academia settings.