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Application Of Chemometric Resolution Methods To The Analysis Of Complex Multicomponent Chemical Systems

Posted on:2003-12-27Degree:MasterType:Thesis
Country:ChinaCandidate:B Y LiFull Text:PDF
GTID:2121360092970211Subject:Analytical Chemistry
Abstract/Summary:PDF Full Text Request
The basic feature of modern analytical chemistry is instrumentation of measurement and diversification of information. With the development of modern hyphenated apparatus and related chemometric methods,a powerful technique and extensive prospect is provided for complex chemical systems to be dealt with. This research aims at real multicomponent samples in order to analyze rapidly them qualitatively and quantitatively using chemometric resolution methods.In the first chapter of this thesis,many algorithms,which were developed on the basis of matrix resolution in recent years,are reviewed and summarized. Some consummation of them makes good use of both ability of chromatographic separation and ability of spectral characterization of hyphenated chromatography. With the help of mathematics and statistics,some difficult problems in analytical chemistry can be solved elegantly. They not only pour vitality into analytical science but also advance it.The second chapter elaborates preparative separation and enrichment of non-hydrocarbons in crude oil as well as a complete process of resolving real two-dimensional data. Organic nitrogen compounds are principal chemical classes of non-hydrocarbons,whose complicated structures,multifarious types and presentation in poorly low quantities result in the difficulty of analysis. We study them with the purpose of seeking an effective method to separate and analyze nitrogen compounds in high-boiling petroleum,concisely,rapidly and exactly,and getting as maximal information as possible about their constitutes,structures and physical chemistry characteristics and so on. It is significant to provide hydrogenation and denitrogenation in farther processes with a theory. What's more,it is of great referenced value to direct practical petroleum exploration and exploitation. Excellent separating behavior of hyphenated chromatography can divide the whole investigated system into a series of subsystems in the chromatography direction so as to resolve two-dimensional data uniquely,which cope with overlapping chromatography and mixed spectra to a great extent.In chapter 3,two-dimensional data resolution algorithm is applied to acomplex traditional Chinese medicine system. Radix Rehmanniae Preparata(RRP),as a prepared root of a medicinal plant Rehmannia glutinosa Libosch. (family Scrophulariaceae),has been prescribed and utilized popularly in the clinic due to its pharmacology and pharmacodynamics (e.g. hematopoietics,tonics or antipyretics etc.). Chemical constituents of RRP are intimated by analyzing methylesterification products of the acidic fraction after petroleum ether extract from RRP through resolution and identification. With such obtained information at hand,quality control and comprehensive evaluation upon RRP or some Chinese medicine formula containing RRP can be done reliably. At the same time,a novel method,say local smoothing for component identification method,is proposed to enhance qualitative analysis of low content components of the data. It is based on the assumption that analytical signals differ from random noise in the chromatographic peak width. The information of the molecular ion or pseudo-molecular ion about the analytes can be obtained. Consequently,the resolved mass spectra are refined and qualitative results are improved evidently.In chapter 4,spectral correlation chromatography,as a new concept,is proposed to determine correctly component correlation of complicated chromatographic fingerprints of traditional Chinese medicines by dint of the information both from spectra and from chromatographies obtained from hyphenated instruments,since the same chemical should has the same spectrum in common. Based on the results from the spectral correlation chromatography,fingerprints of traditional Chinese medicines under different experimental conditions can then be characterized and evaluated objectively. It is a practical,convenient and powerful means to the analysis of characteristic chemical fingerprints of traditional Chinese medicines.
Keywords/Search Tags:Characteristic chemical fingerprints of traditional Chinese medicines, Chemometrics, Cluster of chromatographic peaks, Hyphenated chromatography, Local Smoothing for Component Identification Method, Radix Rehmanniae, Preparata
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