Oral Sessions (Day1, Day2, Day3)
Poster Presentations (Day1, Day2, Day3)
Poster Presentations
- Day 2, June 23（Thu.） Room P (501, 502 and 503)
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2P-09 PDF
Relationship between GC-HRMS untargeted profiles and in vitro biological activities of thermal decomposition products from tobacco leaf samples
Tobacco smoke is a mix of at least 6000 components and the relationship between chemical composition and biological activities is still unclear. To gain insight into this relationship, 31 types of dried tobacco samples were thermally decomposed using a pyrolysis furnace, and the obtained tar, collected on a glass fiber filter, was extracted using DMSO for GC-HRMS untargeted analyses and in vitro mutagenicity (Ames) and cytotoxicity (neutral red uptake) tests. Approximately 5000 component peaks were observed in the chromatograms of untargeted analyses, some of which were removed as noise using criteria based on the results of pooled samples,1), 2) and the remaining 1116 component peaks were used for data analysis. A search of the NIST library was performed, revealing that 410 peaks had compound entries corresponding to known tobacco smoke components.3) For 29 of the 31 samples, OPLS regression results showed that the model for untargeted profiles and in vitro mutagenicity had higher performance (R2Y=0.875, Q2Y=0.779) than the model for untargeted profiles and in vitro cytotoxicity. Nevertheless, the components that made positive contributions include those that did not seem to induce mutagenicity. This suggested that further research is needed to build prediction models for complex mixtures, such as tobacco smoke.