Study On Interpretation And Reversion Of Tobacco Flavor Based On Bi-directional Gradual Simulation From Chemical Composition And Fragrance Characteristics

Analysis and restore of essence formula is a big problem, and has been highly concerned by the perfumer of the fragrance industry as well as the analysis of chemical workers. On the one hand, using the chemical point of view to solve the problem, GC-MS (gas chromatograph-mass spectrum) has become the most commonly used technology for analysis and restore of essence formula. However, due to the high complexity of essence formula and the limitations of analytical methods, GC-MS and other modern instrumental methods can’t solve this problem well, on the other hand, from the point of view of perfumers present, although the flavorists put forward some empirical methods for this problem, such as According to sniffing the subject like nuances of essence, hold the characteristics of nuances and modified it. However, because the imperfection of flavor theory and subjective note discrimination, experienced flavorists can’t just rely on the nose to analysis a complex flavor system. Therefore, the chemical composition information and the perfumer experience combined with chemometric methods to analyze the unknown flavors at the same time gradually become a new research ideas. Based on this idea, spices group phase of the project carried out the following work:Firstly, the expansion and improve of "computer-aided perfume software". The database contains the total number of monomer,essential oils,absolutes,extracts,tinctures and extracts from243increased to804,at the same time spices group phase check each flavor and delete some not good experimental data in the database,such as the wrong characteristic peaks, not obvious characteristic peaks of baseline separation and so on.then re-experiment to get the correct information,making Database more humane, convenient operation and save time. The accurate results for the analysis of essence lay a foundation for a successful restore.Secondly, some useful index for fragrance evaluation were collected, for example Chinese name, English name, structural formula, molecular formula, molecular weight, melting point, boiling point, etc. and the part of the missing data has been predicted by QSAR. Under the guidance of the flavorist, a database for fragrance quantitative description was established, which has intelligent search, data analysis and other functions.Finally, Study on interpretation and reversion of tobacco flavor based on bi-directional gradual simulation from chemical composition and fragrance characteristics,15unknown essences was analyzed by "computer-aided perfume software" combined with "the database of Fragrance descriptive value". And we obtained the main chemical components and notes of each essence, then finished odor product analysis for some of the essence.