Trilinear multiplicative modelling of thin layer chromatography retention as a function of solute, organic modifier and its concentration

J Sep Sci. 2011 Jan;34(1):59-63. doi: 10.1002/jssc.201000637.

Abstract

We have recently shown in a preliminary study, that the retention in TLC, expressed as R(F) values, can be modelled in multiplicative trilinear way (solute × mobile phase × stationary phase), explaining almost all variance. Such possibility did not occur in the case of k or R(M) values. This paper is a continuation of investigation about this phenomenon. We perform here a trilinear decomposition of two datasets (normal-phase and RP) of 35 model compounds organized differently as in the previous study: solute × modifier × concentration. The resulted models explain 96.8% of whole variance on silica and 90.33% of RP18 variance. No strict correlation with any particular molecular descriptor was found, although the mean electrotopological state index (Ms) was fairly correlated with RP contributions. The results confirm definitively a general possibility to model TLC retention in a multiplicative manner and inspire for further research in this field.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Chromatography, Thin Layer / methods*
  • Models, Chemical*
  • Silicon Dioxide / chemistry
  • Solutions / chemistry*

Substances

  • Solutions
  • Silicon Dioxide