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Use of simulated liquid chromatography-diode array detection data for the definition of a guide curve in peak purity assessment by spectral comparison

Authors
Journal
Journal of Chromatography A
0021-9673
Publisher
Elsevier
Publication Date
Volume
786
Issue
1
Identifiers
DOI: 10.1016/s0021-9673(97)00552-9
Keywords
  • Peak Purity
  • Computer Simulation
  • Diode Array Detection
  • Detection
  • Lc
  • Alprazolam
  • Triazilam
  • Hydrochlorothiazide

Abstract

Abstract Computing dissimilarity profiles between spectra within a chromatographic peak and comparing them to a base profile for a pure peak can be a sensitive method for detecting coelution. The power of this method is limited by noise and non-idealities. For high maximum absorbances, non-idealities prevail over noise. In current practice, either the maximum absorbances are limited, or the base profile is computed from injections of pure standards. The first approach leads to a loss in detection power, the second requires substantial extra work, since the standards have to be obtained and they have to be measured separately for each peak of interest in the chromatogram. Here, we show that an approximation to the base profile can be computed from realistic simulations of homogeneous data accounting for potential non-idealities. This is demonstrated using several graphical displays. As a result, higher maximum absorbances leading to better impurity detection can be used without extra experimentation.

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