Chemometrics For The Analysis Of Volatile Components In The Complex System

Nowadays, the qualitative and quantitative technique of complicated analytical system, such as natural animals and plants, has already made marked progress. However, the chemical composition of traditional Chinese medicine (TCM) and tobacco still need further studies. The rapid development of modem hyphenated instruments and related chemometric methods makes it possible to analyse these complicated analytical system although components in them are extremely complex. This study aims at analysis of chemical composition of TCM and tobacco with relative chemometric methods. Then, the chromatographic fingerprints of TCM and tobacco are developed. This thesis includes five chapter.In the first chapter, the development and problems of TCM and tobacco industry were presented. The application development of chemometric multivariate resolution methods and fingerprint technique in complicated analytical system were also introduced.In chapter 2, with the help of chemometric resolution methods and retention index, a method for qualitative and quantitative analysis of the volatile chemical constituents in Agrimonla Pilosa Ledeb by chromatography-mass spectrometry was developed. The obtained results can provide useful information for further study and development of Agrimonla Pilosa Ledeb.In chapter 3, for comparison of the volatile constituents in different locations of Radix Flemingiaes, a recently proposed method named Alternative moving window factor analysis (AMWFA) was used for embedded peaks resolution. Some compounds With low contents can be identified by the use of the different contents of the same components in different samples.In chapter 4, a combined approach of subwindow factor analysis and orthogonal projection resolution was used to analyze the volatile components of cut tobacco samples from different sources. After extracted with simultaneous distillation and extraction method, the volatile components in cut tobacco from five different locations were detected by GC-MS. Then, the qualitative and quantitative analysis of the volatile components of cut tobacco from Changde area was completed with the help of subwindow factor analysis resolving two-dimensional original data into pure mass spectra and chromatograms. Finally, orthogonal projection method was used to extract the common peaks from different locations. The developed method can be used to compare the sameness and differences of cut tobacco from different sources and for quality control of cigarette production and materials.In chapter 5, with the help of accelerated aolvent extraction method, the chemical components in cut tobacco were continuously extracted with four different solvents which have different polarity. The extraction conditions of accelerated solvent extraction method were optimized with uniform design method with satisfactory results.