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

✍ Scribed by Łukasz Komsta; Małgorzata Radoń; Beata Radkiewicz; Robert Skibiński

• Book ID: 102442671
• Publisher: John Wiley and Sons
• Year: 2010
• Tongue: English
• Weight: 173 KB
• Volume: 34
• Category: Article
• ISSN: 1615-9306
• DOI: 10.1002/jssc.201000637

✦ Synopsis

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.