Two recently published chemical reaction kinetics studies examples are introduced by researchers at Bristol-Myers Squibb, Scripps, and the University of Wisconsin highlighting how ATR-FTIR spectroscopy was used in conjunction with HPLC and NMR to gain valuable insight, mechanistic understanding, and model validation of the chemical reactions being studied.
Scientists must work with speed and accuracy to create commercially viable processes at multiple scales. Deliveries are made under stringent regulatory conditions. This is done with limited time and material available for detailed scientific investigations. This complex set of demands means scientists must find innovative methods to ask and answer the big questions. The references and resources below describe how scientists are approaching the this demanding challenge.
Reaction Insight Challenges
- Reaction mechanism viability, conversion, and selectivity often remain unknown until late in the development cycle
- Scientists are unable to sample with the frequency needed to understand reaction kinetics
- Scientists rely on information obtained through visual observations which are sporadic, subjective, and rarely recorded
- Expensive and over-burdened analytical resources that should focus on quality control are often deployed to troubleshoot or optimize challenging reactions
- Many reaction steps require significant overhead to characterize (e.g. air sensitive, low temperature, and high pressure), meaning they are often not characterized at all
- The critical process parameters that influence the performance of a reaction are often not recorded