The Determination Of The Effective Components In Medicine By Three-dimensional Fluorescence Coupled With Second-order Calibration Methods

Chemometrics is a subject involving mathematics,computer science and analytical chemistry,aiming at extracting the maximum useful chemical information during the measurement process.Second-order calibration methods based on chemometrics can realize qualitative and quantitative a nalysis of analytes directly even in the presence of unknown interferences by using “mathematic separation” instead of chemical separation due to their “second-order advantage”.Traditional Chinese Medicine(TCM)is an excellent part of traditional Chinese culture with a long history.Many analytes in TCM can produce natural fluorescence.In this work,three-dimensional fluorescence spectroscopy coupled with second-order calibration methods were carried out to analyze the effective components in TCM and body fluid.In chapter 2,three-dimensional fluorescence spectroscopy combined with alternating trilinear decomposition(ATLD)algorithm was used to determine the content of paeonol in C ynanchum paniculatum and paeonol ointment.The spectrum of the interference was overlapped with the spectrum of analyte.Q ualitative and quantitative results were obtained by the new method without pre-separation.Besides,the results obtained by high performance liquid chromatography(HPLC)method was in good agreement of the results determined by the new method.In chapter 3,second-order calibration methods coupled with three-dimensional fluorescence spectroscopy were developed to study the content of α-asarone and β-asarone in Acorus tatarinowii and Wild Carrot Fruit,even in the case that the spectra of α-asarone and β-asarone overlapped seriously.Six second-order calibration methods were used including parallel factor analysis(PARAFAC),alternating trilinear decomposition(ATLD),alternating penalty trilinear decomposition(APTLD),self-weighted alternating trilinear decomposition(SWATLD),the unfolded partial least-squares(U-PLS)and multidimensional partial lest-squares(N-PLS)with residual bilinearization(RBL).HPLC method was applied to validate the new methods,indicating that better results can be obtained by N-PLS/RBL and U-PLS/RBL for Acorus tatarinowii and,respectively.In chapter 4,six second-order calibration methods were used to determine the concentration of α-asarone in plasma and urine directly even in the presence of unexpected interference.The recoveries obtained by the six second-order calibration methods were satisfactory.