Three-way Chemometric Methodologies Applied In Environmental Analysis And Pharmaceutical Analysis

In the introductory part of this thesis, the history and development of chemometrics and actualityof its investigation are illustrated. And the applications of chemometrics in different fields (such as in environmental analysis, pharmaceutical analysis, food and so on) is included. The second-order calibration in chemometrics was a core field with mighty advantages and it coupled with three-way fluorescence (excitation-emission matrix fluorescence) or high-performance liquid chromatographic analysis, these were expounded in this introductory.In Chapter 2, a simple and reproducible method which provides the simultaneous determinations of Anthrancene (ANT) and Phenanthrene (PHE) in soil samples has been studied. The method combined excitation emission fluorescence spectrum with second-order calibration based on the alternating trilinear decomposition algorithm. Parallel factor analysis (PARAFAC) and self-weighted alternating trilinear decomposition (SWATLD) were applied. This method was satisfactorily applied to the quantification of ANT and PHE in the fluid that extraction from soil. The results showed that this algorithm could solve the problem of serious fluorescence spectral overlapping of the sought-for analytes and determine them simultaneously even in the presence of uncalibrated interferents .In Chapter 3, a method was proposed for determination of Pyrene (PYR) in the presence of Anthrancene (ANT) by combining excitation-emission fluorescence with second-order calibration. Pyrene is one kind of Polycyclic Aromatic Hydrocarbons (PAHs), PAHs is carcinogenic and it pollutes our envirment as poisonous waste. The determination of Pyrene in sullage has important meaning. It showed that this method are able to handle the occurrence of interference not modeled in the calibration set, which presents"second-order advantage".Aloe could resist cancer, improve immunity and diminish inflammation. Aloe-emodin (AED) and Aloin (ALO) are two staple components of Aloe. The content of Aloe-emodin and Aloin is an important index of Aloin-capsule's quality. In Chapter 4, an excitation-emission matrix fluorescence (EEMs) method combined with chemometrics methods was utilized to determine Aloe-emodin and Aloin respectively in Aloe-capsule. Using the three-way data array decomposition methods—the PARAFAC algorithm and the ATID algorithm, we can successfully implement direct calibration of the components without resorting to time-consuming and expensive separation procedure.In Chapter 5, the direct determination of Amiloride in plasma and urine was studied. Amiloride is also called Amipwomizede,Gunamprazene or MK-870. It is a kind of diuretic drugs. The routine determination of drugs in plasma and urine needs several time-consuming and expensive separation procedures. In this chapter, Amiloride was determined by using excitation-emission fluorescence and the three-way data array decomposed by using the PARAFAC,the ATLD and the SWATLD algorithms. The results demonstrated that the method performs well. This method could determine Amiloride directly in plasma and urine with the presence of some uncalibrated interferences.