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Modification of Evolving Factor Analysis and Multivariate Curve Resolution Methods and Using their Applications in Analysis of Medicinal Plants Essential Oils

Moazeni-Pourasil, Roudabeh | 2014

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  1. Type of Document: Ph.D. Dissertation
  2. Language: Farsi
  3. Document No: 46534 (03)
  4. University: Sharif University of Technology
  5. Department: Chemistry
  6. Advisor(s): Jalali-Heravi, Mehdi; Ghassempour, Alireza
  7. Abstract:
  8. Factor analysis based methods are one of the applied methods in the Chemometrics. In this regard, some modifications on one of the factor analysis based method named fixed size moving window evolving factor analysis were done and two new methods named variable size moving window evolving factor analysis and preselected variable size moving window evolving factor analysis were introduced. The performance of the new introduced methods were examined and compared by the fixed size moving window evolving factor analysis.
    Pure variable selection methods are useful for curve resolution methods which need to define an initial estimate from chromatographic profile or spectra. In this aspect the function which solves the equation of the multivariate curve resolution objective function minimization method was changed and the new method named multivariate curve resolution objective function equal to zero was introduced and its performance as a pure variable selection was examined.
    Combination of sophisticated instrumental techniques such as gas chromatographic-mass spectrometry and high performance liquid chromatography-diode array detector with chemometric methods was made the analysis of complex mixtures like essential oils possible. In this way the interpolation of data would be better. The multivariate curve resolution and second order calibration methods are the two common methods for essential oil data analysis.
    In this thesis the gas chromatographic-mass spectrometry combined with the multivariate curve resolution method was used to analyze the volatile components of the Spearmint, Lavender and Galbanum essential oils. The hydrodistillation method was applied for essential oil extraction. Then the essential oils were analyzed by gas chromatographic-mass spectrometry in the optimum condition. Both qualitative and semi-quantitative analyses were done on the data. Also the combination of the gas chromatographic-mass spectrometry combined with the multivariate curve resolution method was a good substation for gas chromatographic-tandem mass spectrometry in analysis of the released sugar, Muramic acid, from bacteria cell walls treated by the silver nano-particels. In addition, the high performance liquid chromatography-diode array detector combined with the second order calibration methods were applied for a quantitative estimation of 10-deacetylbaccatin III as a precursor of the anticancer drugs from Taxus Baccata L
  9. Keywords:
  10. Multivariate Curve Resolution ; Gas Chromatography/Mass Spectrometry (GC/MS) ; Ultra Performance Liquid Chromatography ; Chemometrics Method ; Factor Analysis ; High Performance Liquid Chromatography-Diode Array Detector (HPLC-DAD) ; Second Order Calibration

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