Analytical performance, correlation chromatography

Analytical model, assumptions and practical implications, 52-57 Analytical performance, correlation chromatography, 108 Analytical process, steps of, 7 Aroclors, isomer-specific analysis of, application of SIMCA, 195-232 Atomic absorption spectrometry, determination of iron in water, 116... 

In the present context correlation means chemically relating a compound of unknown configuration with a compound of known relative configuration. In this section correlation sequences which do not directly affect the chiral units are discussed. Relations of this type, if carefully applied, are unambiguous and do not depend on mechanistic and/or stereochemical assumptions (also see Sections 4.3.4.1.2. and 4.3.4.1.2.1.). In contrast to the constraints in methodology mentioned in Section 4.3.4.1.2., comparison with the reference sample can be performed by any suitable analytical method, such as gas or liquid chromatography, or NMR spectroscopy. Some examples are ... 

The hydrocarbon ("oil") fraction of a coal pyrolysis tar prepared by open column liquid chromatography (LC) was separated into 16 subfractions by a second LC procedure. Low voltage mass spectrometry (MS), infrared spectroscopy (IR), and proton (PMR) as well as carbon-13 nuclear magnetic resonance spectrometry (CMR) were performed on the first 13 subfractions. Computerized multivariate analysis procedures such as factor analysis followed by canonical correlation techniques were used to extract the overlapping information from the analytical data. Subsequent evaluation of the integrated analytical data revealed chemical information which could not have been obtained readily from the individual spectroscopic techniques. The approach described is generally applicable to multisource analytical data on pyrolysis oils and other complex mixtures. 

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