Application Of Three-way Data Resolution Algorithms To The Analysis Of Complex Multicomponent Fluorescent Chemical Systems

In the introduction section of this thesis, the development of multivariateresolution and calibration in chemometrics, especially three-way data analysis, hasbeen reviewed. Applications in the analysis of rare earth and drugs by fluorometrycombining with the three-way data resolution and calibration method have beenresearched. The problem of serious spectra overlapping has been successfully solved.Furthermore, an improved algorithm which can overcome the problems of slowconvergence and being sensitive to the estimation of component number of thetraditional PARAFAC algorithm has been proposed.In chapter 2, the system of Amiloride(AMI), propranolol(PRO) anddipyridamole(DIP) are widely used in the treatment of angiocardiopathy. It wouldbe difficult to be determined simultaneously by routine method since theirfluorescence spectra overlapped closely. AMI, PRO and DIP in aqueous solution areresolved and determined simultaneously using alternating trilinear decompositionalgorithm and three-dimensional fluorescence spectrometry. The satisfactory resultsshowed that the ATLD algorithm can solve the problem of closely spectraoverlapping at ease without resorting to expensive techniques and time-consumingprocedure.Triamterence (TAT), furosemide (FUR) and amiloride (AMI) are three staplediuretic drugs, widely used to treat several diseases. These components are classifiedin doping substances and have been included in the list of forbidden substances bythe International Olympic Committee. Simultaneous determination of the three drugsis of great importance. In chapter 3, the system composed of the three drugs has beenresolved using ATLD algorithm. The results showed that the ATLD algorithm cansolve the problem of serious spectral overlapping rapidly and effectively.In chapter 4, simultaneous determination of terbium (Tb) and dysprosium (Dy) inthe presence of interference of samarium (Sm) was successfully performed using theclassical three-way data array decomposition method -- the PARAFAC algorithm.Due to "second-order calibriation advantage", this algorithm can successfullyimplement direct calibration of the components of interest without resorting to time-consuining and expensive separation procedure.In chapter 5, the system of pyridoxal (PL), pyridoxamine (PM) and 4-pyridoxicacid (4-PA) are three drugs which have closely relationship with physiologicalfunction of vitamine B6 and several metabolities in human bodies. They aresimultaneously determined using the ATLD algorithm. The satisfactory resultsfurther demonstrated the ATLD algorithm can solve the closely spectra overlappingproblem at ease and be insensitive to the estimation of component number.In chapter 6, an improved algorithm, simultaneously minimizing covariant matrixerror algorithm fOr three-way data analysis, was proposed. This algorithm canovercome the problems of slow convergence and being sensitive to the estimation ofcomponent number, which are inevitable while using the traditional PARAFACalgorithm.