Kinetic analysis of chemical systems
We push the boundaries of mechanistic analysis, dedicating much of our effort to developing methods that extract useful mechanistic information from reaction profiles. Our time normalization analyses, including our best-known Variable Time Normalization Analysis (VTNA), have become a gold standard in both academia and industry. Currently, we are exploring the incredible potential of machine learning models to create kinetic analyses that simplify and surpass the capabilities of existing methods.
Beyond our primary emphasis on kinetic analysis of reaction profiles, we explore various other facets of mechanistic studies. For example, we analyze reaction orders in intricate scenarios, use microkinetic modeling to gain insights into mechanisms, and examine nonlinear effects in asymmetric catalysis.
Experimental mechanistic studies and synthetic applications
We specialize in conducting experimental mechanistic studies of chemical reactions to deepen the understanding of their behavior at the molecular level. We focus on catalytic reactions because they are more complex than their non-catalytic counterparts, making them excellent cases for improvement. Indeed, our insights into the mechanisms often enable us to devise innovative solutions for synthetic procedures, leading to improved reproducibility, increased turnover numbers, higher turnover frequencies, and reduced by-product formation. Consequently, our work contributes to more economical and sustainable processes.
Our methodology is applicable to a wide range of reactions, as demonstrated by the diverse list of catalytic reactions we have worked on, which includes organocatalysts, acid catalysts, and metal catalyst with Al, Fe, Ni, Cu, Ru, Rh, Pd, Ag, Au, and Bi. These catalytic processes are relevant in diverse sectors such as pharmaceuticals, polymers, fragrances, and flavors.
Enhanced reaction monitoring
The study of reaction kinetics is dependent on gathering high-quality kinetic data through reaction monitoring. To achieve this, we partner with expert engineers and spectroscopists to develop innovative data-collection methods and create new devices. These advancements significantly improve our ability to capture detailed reaction profiles, especially under challenging conditions where sampling or monitoring is typically difficult.
