Using principal component analysis for the study of the retention behaviour of phenol derivatives under reversed-phase conditions

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Abstract

The retention time of 11 ring-substituted phenol derivatives was measured on six different reversed-phase HPLC columns and the log k, theoreticol plate number (N) and asymmetry foctor (F) values were calculated for each solutes on each column. The similarities and dissimilarities among the columns and solutes were elucidated by principal component analysis followed with nonlinear mapping technique and cluster analysis. Calculations indicated that the retention characteristics of porous graphitized carbon stationary phase considerably deviate from those of octadecyl- and hexyl-coated silica, octadecyl-coated polystyrene-divinylbenzene polymer and polybutadiene-coated alumina. The differences among these columns were markedly smaller. The retention behaviour of aminophenols differed from those of other phenol derivatives proving the importance of molecular polarity in the retention. It was established that the mode of calculation slightly modifies the similarity and dissimilarity among the columns and solutes, therefore, the use of more than one calculation method is proposed.

Original languageEnglish
Pages (from-to)451-456
Number of pages6
JournalChromatographia
Volume57
Issue number7-8
DOIs
Publication statusPublished - Apr 2003

Fingerprint

divinyl benzene
Phenol
Principal Component Analysis
Principal component analysis
Aminophenols
Derivatives
Aluminum Oxide
Molecular polarity
Polystyrenes
Silicon Dioxide
Cluster Analysis
Polymers
Carbon
High Pressure Liquid Chromatography
Cluster analysis
polybutadiene

Keywords

  • Column liquid chromotogrophy
  • Phenol derivatives
  • Principal component analysis
  • Stationary phases

ASJC Scopus subject areas

  • Analytical Chemistry
  • Clinical Biochemistry

Cite this

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title = "Using principal component analysis for the study of the retention behaviour of phenol derivatives under reversed-phase conditions",
abstract = "The retention time of 11 ring-substituted phenol derivatives was measured on six different reversed-phase HPLC columns and the log k, theoreticol plate number (N) and asymmetry foctor (F) values were calculated for each solutes on each column. The similarities and dissimilarities among the columns and solutes were elucidated by principal component analysis followed with nonlinear mapping technique and cluster analysis. Calculations indicated that the retention characteristics of porous graphitized carbon stationary phase considerably deviate from those of octadecyl- and hexyl-coated silica, octadecyl-coated polystyrene-divinylbenzene polymer and polybutadiene-coated alumina. The differences among these columns were markedly smaller. The retention behaviour of aminophenols differed from those of other phenol derivatives proving the importance of molecular polarity in the retention. It was established that the mode of calculation slightly modifies the similarity and dissimilarity among the columns and solutes, therefore, the use of more than one calculation method is proposed.",
keywords = "Column liquid chromotogrophy, Phenol derivatives, Principal component analysis, Stationary phases",
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T1 - Using principal component analysis for the study of the retention behaviour of phenol derivatives under reversed-phase conditions

AU - Kánya, Z.

AU - Cserháti, T.

AU - Forgács, E.

PY - 2003/4

Y1 - 2003/4

N2 - The retention time of 11 ring-substituted phenol derivatives was measured on six different reversed-phase HPLC columns and the log k, theoreticol plate number (N) and asymmetry foctor (F) values were calculated for each solutes on each column. The similarities and dissimilarities among the columns and solutes were elucidated by principal component analysis followed with nonlinear mapping technique and cluster analysis. Calculations indicated that the retention characteristics of porous graphitized carbon stationary phase considerably deviate from those of octadecyl- and hexyl-coated silica, octadecyl-coated polystyrene-divinylbenzene polymer and polybutadiene-coated alumina. The differences among these columns were markedly smaller. The retention behaviour of aminophenols differed from those of other phenol derivatives proving the importance of molecular polarity in the retention. It was established that the mode of calculation slightly modifies the similarity and dissimilarity among the columns and solutes, therefore, the use of more than one calculation method is proposed.

AB - The retention time of 11 ring-substituted phenol derivatives was measured on six different reversed-phase HPLC columns and the log k, theoreticol plate number (N) and asymmetry foctor (F) values were calculated for each solutes on each column. The similarities and dissimilarities among the columns and solutes were elucidated by principal component analysis followed with nonlinear mapping technique and cluster analysis. Calculations indicated that the retention characteristics of porous graphitized carbon stationary phase considerably deviate from those of octadecyl- and hexyl-coated silica, octadecyl-coated polystyrene-divinylbenzene polymer and polybutadiene-coated alumina. The differences among these columns were markedly smaller. The retention behaviour of aminophenols differed from those of other phenol derivatives proving the importance of molecular polarity in the retention. It was established that the mode of calculation slightly modifies the similarity and dissimilarity among the columns and solutes, therefore, the use of more than one calculation method is proposed.

KW - Column liquid chromotogrophy

KW - Phenol derivatives

KW - Principal component analysis

KW - Stationary phases

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