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Trilinear multiplicative modelling of thin layer chromatography retention as a function of solute, organic modifier and its concentration
Author(s) -
Komsta Łukasz,
Radoń Małgorzata,
Radkiewicz Beata,
Skibiński Robert
Publication year - 2011
Publication title -
journal of separation science
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.72
H-Index - 102
eISSN - 1615-9314
pISSN - 1615-9306
DOI - 10.1002/jssc.201000637
Subject(s) - multiplicative function , chemistry , stationary phase , phase (matter) , variance (accounting) , chromatography , analytical chemistry (journal) , mathematics , organic chemistry , mathematical analysis , accounting , business
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.