Partial Least Squares is a family of regression based methods designed for the an- ysis of high dimensional data in a low-structure environment. Its origin lies in the sixties, seventies and eighties of the previous century, when Herman O. A. Wold vigorously pursued the creation and construction of
The use of Brauman's least squares approach for the quantification of deuterated chlorophenols
β Scribed by Kenneth Korzekwa; William N. Howald; William F. Trager
- Book ID
- 102774967
- Publisher
- John Wiley and Sons
- Year
- 1990
- Tongue
- English
- Weight
- 737 KB
- Volume
- 19
- Category
- Article
- ISSN
- 1076-5174
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β¦ Synopsis
The least squares method for the solution of ion overlap problems in quantitative mass spectrometry first introduced by Brauman was used to quantify isotopic mixtures of chlorophenol derivatives. The samples analyzed consisted of the chlorophenols resulting from the cytochrome P-450 mediated oxidation of isotopic mixtures of chlorobenzenes, and were analyzed on a VG-7070 double-focusing mass spectrometer. The application of this method is described and its advantages are highlighted. In some instances the use of the least squares methods resulted in smaller standard deviations of the means of replicate analyses. Significant features of the technique include its simplicity of use, the universality of its application to all cases of ion overlap and its inherent ability to detect erroneous data, e.g. that due to the presence of impurities or mass spectral parameter variation.
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