Using Second-order Tensorial Calibration Methods For Pharmaceutical Analysis In Traditional Chinese Medicine And Human Body Fluids

With the rapid development of life sciences, environmental science, medicine andchemistry, quantitative and qualitative analysis of the component of interest in thecomplex system becomes more urgent. Chemometrics is a new branch of chemistry,which is on applying the methods of chemistry, mathematics, statistics and computersciences. It’s widely used because of its second-order advantage, which can providequantitative information of the interest analytes even in the presence of interferences.In the introduction part of this thesis, the genesis, history and development ofchemometrics were described, and then the practical application of chemometrics wasoutlined briefly. During the past three years, the author utilized second-ordercalibration methodologies combined with the analytical instruments such as EEMs andHPLC-DAD, tried to investigate the quantitative information in the complexmulti-component systems. The study mainly involves the following aspects:In the second chapter, the thesis proposed a direct and rapid method ofquantitatively analysizing the verapamil hydrochloride in human plasma samples bythe incorporation of second-order calibration methods based on the parallel factoranalysis algorithm and the excitation-emission fluorescence spectra. Verapamilhydrochloride is a calcium antagonist, which can selectively expand of coronary artery,increase coronary blood flow, and inhibit cardiac excitability and atrioventricularconduction. It’s used for the treatment of paroxysmal supraventricular tachycardia andanti-tumor therapy. Verapamil hydrochloride may cause side effects to cardiovascularsystem if its concentration is too high on body, thus monitoring the Verapamil amountin body fluids is particularly important. The method does not need complexpretreatment and extraction, and the analytical results are accurate and reliable, thefeasibility of direct determination of the verapamil hydrochloride content in the plasmasamples was explored.Venlafaxine hydrochloride is a commonly used antidepressant, applicable to alltypes of depression. Huperzine A is an alkaloid extracted from the plant Melaleucatower (Huperzia serrata), and it has a significant improvement to enhance memory,improve the efficiency of mental activity, age-related memory loss. The clinicalfindings suggest that venlafaxine hydrochloride combined with huperzine A have abetter treatment of depression and produce fewer side effects. The third chapter use excitation-emission matrix fluorescence spectroscopy combined with second-ordercalibration methodologie based on self-weighted alternating trilinear decomposition(SWATLD) algorithm rapidly and quantitatively determinate the content of the twodrugs in body fluid samples.Butylated hydroxyanisole (BHA) and propyl gallate (PG) are two commonly usedsynthetic antioxidants; they can prevent lipid oxidation to extend food shelf-life, andtherefore has been widely used in food processing. Butylated hydroxyanisole associatewith other antioxidants such as propyl gallate produce a synergistic effect. But theexcessive use of synthetic antioxidants on the human body has different degrees ofdamage, and may exist potential carcinogenicity. In chapter4of this paper, parallelfactor analysis algorithm was used to analyze the fluorescence data, the methodproposed a new method to simple experimentation the use of "mathematicalseparation" instead of "physical and chemical separation" of uncalibrated backgroundor interferents, we can get the result contain precise spectral resolution and accurateprediction of concentration.Scutellaria is the dry root of Labiatae Scutellaria. Baicalin, baicalein, wogoninand other factors are the apparent efficacy composition in skullcap root. In the fifthchapter of the thesis, a new approach based on the use of HPLC-DAD coupled with thealternating trilinear decomposition (ATLD) algorithm was applied to the rapiddetermination of the content of baicalein and wogonin in traditional Chinese medicineScutellaria. With the application of a second-order advantage, the content of baicaleinand wogonin were effectively determined even in the presence of other interferingcomponents and the two components were not completely separated.