The Study On The Analysis Of Medicine By Three-dimensional Fluorescence Coupled With Chemometrics Second-order Calibration Method

Chemometrics is a developing composite discipline of chemistry. The main focus of chemometrics is on applying the methods of mathematics, statistics and computer sciences to extracting chemical information, to designing the optimal scheme for chemical measurements and to elucidating the data collected from chemical measurements. The second-order calibration methodologies can deal with some traditional difficult problems because of the second-order advantage. The chemometrics methodologies coupled with higher-order analytical instruments can improve or replace the “chemical separation” with “mathematical separation”, enable accurate and reliable determination of the analyte concentrations even in the presence of uncalibrated interferents.We proposed a method binding three-dimensional fluorescence with Chemometrics second-order calibration algorithm for the qualitative and quantitative analysis of interesting ingredients of Chinese herbal remedies, with the presence of unknown interferents in the background of Chinese herbal remedies and body fluids. The results show that this method can resolve the interesting components from the overlapped spectral. A method was provided to analysis Chinese herbal remedies, which is fast, accurate, simple and direct.In the second part, a simple method for determination of podophyllotoxin in podophyllum and body fluids even in the presence of other uncalibrated interferents by using excitation–emission matrix(EEM) fluorescence coupled with second-order calibration method based on alternating trilinear decomposition(ATLD) algorithm. The experimental results show that the proposed method could be applied to quantify podophyllotoxin in podophyllum and human plasma and urine samples even in the presence of other uncalibrated interferents.At the same time, the influence of the inner filter effect in human plasma and urine on fluorescence intensity was investigated.In the third part,a novel method of second-order calibration of three-way fluorescence spectroscopy was applied to determine cimifugin in Cimicifuga foetida L. and human plasma.This method is fairly easy without pre-separating procedure.The EEM spectra of the analytes were overlapped with the background in Cimicifuga foetida L. and human plasma samples. The obtained results showed that the resolved spectra and real spectra of cimifugin matched quite well with each other. This method solved the problem that is difficult to distinguish each other caused by overlapping spectra, and satisfactory results are obtained.In the fourth part, a novel approach was developed for the direct quantitative and qualitative analysis of osthole in Cnidii Fructus and human plasma by the incorporation of three-dimensional fluorescence with second-order calibration methodologies based on parallel factor analysis(PARAFAC) algorithm, alternating trilinear decomposition(ATLD),and self-weighted alternating trilinear decomposition(SWATLD) algorithms, respectively. The results obtained by the parallel factor analysis(PARAFAC) and alternating trilinear decomposition(ATLD),and self-weighted alternating trilinear decomposition(SWATLD) algorithms,are satisfactory. Determination of osthole in the presence of unknown interferences directly can be actualized by this new simple method.In the fifth part, the author reports a simple, rapid, and effective method for quantitative analysis of quercetin in Gynostemma pentaphyllum by using excitation–emission matrix(EEM) fluorescence coupled with second-order calibration based on Parallel factor analysis(PARAFAC) algorithm, alternating trilinear decomposition(ATLD) algorithm and self-weighted alternating trilinear decomposition(SWATLD) algorithm. The Al is used as fluorescence sensitizer to increase the quercetin fluorescence intensity. The experimental results show that the chemometrics "second order correction" method can be used for complex component qualitative and quantitative analysis. This method is simple, rapid, high efficiency and low operation cost, the qualitative and quantitative determination of complex system with the interference has important significance.