MR^3: Development of a Molecular Rotational Resonance Ratiometer

MR3: Development of a Molecular Rotational Resonance Ratiometer NIH SBIR Direct to Phase II BrightSpec, Inc. Project Summary This project proposes the development of a molecular rotational resonance (MRR) ratiometer for precisely quantifying the relative abundances of components of complex mixtures, such as trace isotopologues in natural abundance, major and minor enantiomers in chiral mixtures, and a variety of components in reaction aliquots (starting materials, intended products and side products, etc.). MRR is a spectroscopic technique for unambiguous structure determination and quantitation of small molecules, which has been used for decades in academic research laboratories but only recently commercialized by BrightSpec, driven by recent groundbreaking innovations. The key advantages of MRR are its selectivity to isomeric compounds (including isotopomers in natural abundance), absolute quantitation capabilities, and identification of unknowns without reference standards. By further developing the technique to use multiple microwave fields to simultaneously probe the same sample volume, measurement variability can be substantially reduced, opening new horizons in a broad array of research areas including drug discovery, natural products analysis, and the monitoring of environmental pollutants. A proof-of-concept dual axis spectrometer has been used to demonstrate the viability of measuring molecular data in two diƯerent frequency ranges, and we also have data showing the viability of wire-grid polarizers to allow for simultaneous monitoring of two molecular transitions in spatially overlapped microwave cavities at once. Overcoming these major technical challenges has de-risked this proposed Phase II project, and remaining work will focus on optimizing instrument performance and reducing measurement variability on both short and long timescales. The product will then be tested thoroughly on relevant samples in market areas where the MRR ratiometer is expected to have the greatest impact. Once these new measurement capabilities are integrated into our instrument control software, the product design will be refined for commercial launch at or before the end of the grant period.