Assessment of column selection systems using Partial Least Squares.
J Chromatogr A
; 1420: 74-82, 2015 Nov 13.
Article
em En
| MEDLINE
| ID: mdl-26456514
ABSTRACT
Column selection systems based on calculation of a scalar measure based on Euclidean distance between chromatographic columns, suffer from the same issue. For diverse values of their parameters, identical or near-identical values can be calculated. Proper use of chemometric methods can not only provide a remedy, but also reveal underlying correlation between them. In this work, parameters of a well-established column selection system (CSS) developed at Katholieke Universiteit Leuven (KUL CSS) have been directly correlated to parameters of selectivity (retention time, resolution, and peak/valley ratio) toward pharmaceuticals, by employing Partial Least Squares (PLS). Two case studies were evaluated, separation of alfuzosin, lamotrigine, and their impurities, respectively. Within them, comprehensive correlation structure was revealed, which was thoroughly interpreted, confirming a causal relationship between KUL parameters and parameters of column performance. Furthermore, it was shown that the developed methodology can be applied to any distance-based column selection system.
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Texto completo:
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Base de dados:
MEDLINE
Assunto principal:
Quinazolinas
/
Triazinas
/
Análise dos Mínimos Quadrados
/
Cromatografia
Limite:
Humans
Idioma:
En
Ano de publicação:
2015
Tipo de documento:
Article