SBIR Phase II: A Bioinformatics System for GCxGC-MS (Comprehensive Two-Dimensional Gas Chromography)

Gc Image, Llc, Lincoln NE

Investigators

Abstract

This Small Business Innovation Research (SBIR) Phase II project proposes to use bioinformatics to transform complex data produced by comprehensive two-dimensional gas chromatography with mass spectrometry (GCxGC-MS) to usable chemical information. GCxGC-MS is an emerging technology for chemical separations that provides an order-of-magnitude increase in separation capacity over traditional GC. Results from Phase I demonstrated the feasibility of using bioinformatics to automatically identify chemical components in complex matrices analyzed by GCxGC-MS. Phase II will carry out further theoretical and experimental research to develop solutions that will enable broader use of GCxGC-MS system. The key project objectives include (a) developing a hybrid method that combines three approaches for chemical identification from GCxGC-MS data, (b) establishing the mathematical foundation and practical algorithms for co-elution analysis in GCxGC-MS, and (3) developing new XML technologies for shared and distributed GCxGC-MS data, metadata, and information. The commercial impact of this project will be to develop information technologies for a new generation of analytical instruments. GCxGC-MS system is likely to capture a significant share of the existing gas chromatography market, currently in excess of $ 1 billion per year, and to open new markets in applications requiring superior separations. These applications with important societal benefits, would include environmental monitoring of air, water, and soil; development and processing of foods, flavors, fragrances, and essential oils; processing of petroleum and industrial chemicals; health-care assays of blood, urine, milk, and breath samples; and analysis and discovery of drugs and medicinal herbs.