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Resolving and quantifying overlapped chromatographic bands by transmutation
1Department of Chemistry and Chemical Biology, Stevens Institute of Technology, Castle Point, Hoboken, New Jersey 07030, USA.
Analytical Chemistry
|September 29, 2000
Summary
A novel chemometric technique, transmutation, sharpens overlapped chromatographic bands for component quantification. This method enhances analysis of complex mixtures, applicable to single or multiple detector data.
Area of Science:
- Analytical Chemistry
- Chemometrics
Background:
- Quantifying components in complex mixtures with overlapped chromatographic bands is challenging.
- Existing methods like window factor analysis, rank annihilation factor analysis, and matrix regression analysis have limitations, particularly with data dimensionality.
Purpose of the Study:
- To introduce and validate a new chemometric technique called "transmutation" for sharpening overlapped chromatographic bands.
- To enable accurate quantification of components in mixtures using unresolved chromatograms.
Main Methods:
- The "transmutation function" is derived from the pure component's chromatogram under identical experimental conditions.
- This function is applied to resolve and quantify components in complex mixtures.
- The method was tested on mixtures containing toluene, ethylbenzene, m-xylene, naphthalene, and biphenyl.
Main Results:
- The transmutation method successfully quantified components in mixtures from unresolved chromatograms.
- Results were comparable to established methods but with broader applicability.
- Demonstrated applicability to both single detector and two-dimensional data arrays (e.g., HPLC/DAD).
Conclusions:
- Transmutation offers a versatile chemometric approach for resolving and quantifying analytes in complex chromatographic mixtures.
- Its applicability to single detector experiments overcomes limitations of other multivariate techniques.