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.
