Use of principal component analysis for studying the separation of pesticides on polyethylene-coated silica columns

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Abstract

The retention time of 27 pesticides was determined on an polyethylene- coated silica high-performance liquid chromatography column (PEE(sil)) using water-methanol mixtures as eluents. Linear correlations were calculated between the logarithm of the capacity factor and the methanol concentration in the eluent (C) and the relationship between the slope and intercept values of the above correlation, the hydrophobicity, specific hydrophobic surface area of the pesticides and their retention parameters on porous graphitized carbon column was elucidated by using principal component analysis followed by two-dimensional nonlinear mapping. The most polar pesticides showed irregular retention behaviour of the PEE(sil) column, their retention decreased with increasing concentration of methanol in the eluent. This irregular retention was tentatively explained by the silanophile effect: at higher methanol concentrations the polar substructures of pesticides have a higher probability of binding to the polar adsorption centers on the silica surface not covered by the hydrophobic ligand increasing in this manner the retention capacity of the support. Principal component analysis showed that PEE(sil) support has retention characteristics different from those of traditional reversed-phase supports.

Original languageEnglish
Pages (from-to)33-39
Number of pages7
JournalJournal of Chromatography A
Volume797
Issue number1-2
DOIs
Publication statusPublished - Feb 27 1998

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Polyethylene
Principal Component Analysis
Pesticides
Silicon Dioxide
Principal component analysis
Methanol
High performance liquid chromatography
Hydrophobicity
Hydrophobic and Hydrophilic Interactions
Adsorption
Carbon
High Pressure Liquid Chromatography
Ligands
Water

Keywords

  • Chemometrics
  • Pesticides
  • Polyethylene-coated silica
  • Principal component analysis
  • Stationary phases, LC

ASJC Scopus subject areas

  • Analytical Chemistry

Cite this

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title = "Use of principal component analysis for studying the separation of pesticides on polyethylene-coated silica columns",
abstract = "The retention time of 27 pesticides was determined on an polyethylene- coated silica high-performance liquid chromatography column (PEE(sil)) using water-methanol mixtures as eluents. Linear correlations were calculated between the logarithm of the capacity factor and the methanol concentration in the eluent (C) and the relationship between the slope and intercept values of the above correlation, the hydrophobicity, specific hydrophobic surface area of the pesticides and their retention parameters on porous graphitized carbon column was elucidated by using principal component analysis followed by two-dimensional nonlinear mapping. The most polar pesticides showed irregular retention behaviour of the PEE(sil) column, their retention decreased with increasing concentration of methanol in the eluent. This irregular retention was tentatively explained by the silanophile effect: at higher methanol concentrations the polar substructures of pesticides have a higher probability of binding to the polar adsorption centers on the silica surface not covered by the hydrophobic ligand increasing in this manner the retention capacity of the support. Principal component analysis showed that PEE(sil) support has retention characteristics different from those of traditional reversed-phase supports.",
keywords = "Chemometrics, Pesticides, Polyethylene-coated silica, Principal component analysis, Stationary phases, LC",
author = "E. Forg{\'a}cs and T. Cserh{\'a}ti",
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T1 - Use of principal component analysis for studying the separation of pesticides on polyethylene-coated silica columns

AU - Forgács, E.

AU - Cserháti, T.

PY - 1998/2/27

Y1 - 1998/2/27

N2 - The retention time of 27 pesticides was determined on an polyethylene- coated silica high-performance liquid chromatography column (PEE(sil)) using water-methanol mixtures as eluents. Linear correlations were calculated between the logarithm of the capacity factor and the methanol concentration in the eluent (C) and the relationship between the slope and intercept values of the above correlation, the hydrophobicity, specific hydrophobic surface area of the pesticides and their retention parameters on porous graphitized carbon column was elucidated by using principal component analysis followed by two-dimensional nonlinear mapping. The most polar pesticides showed irregular retention behaviour of the PEE(sil) column, their retention decreased with increasing concentration of methanol in the eluent. This irregular retention was tentatively explained by the silanophile effect: at higher methanol concentrations the polar substructures of pesticides have a higher probability of binding to the polar adsorption centers on the silica surface not covered by the hydrophobic ligand increasing in this manner the retention capacity of the support. Principal component analysis showed that PEE(sil) support has retention characteristics different from those of traditional reversed-phase supports.

AB - The retention time of 27 pesticides was determined on an polyethylene- coated silica high-performance liquid chromatography column (PEE(sil)) using water-methanol mixtures as eluents. Linear correlations were calculated between the logarithm of the capacity factor and the methanol concentration in the eluent (C) and the relationship between the slope and intercept values of the above correlation, the hydrophobicity, specific hydrophobic surface area of the pesticides and their retention parameters on porous graphitized carbon column was elucidated by using principal component analysis followed by two-dimensional nonlinear mapping. The most polar pesticides showed irregular retention behaviour of the PEE(sil) column, their retention decreased with increasing concentration of methanol in the eluent. This irregular retention was tentatively explained by the silanophile effect: at higher methanol concentrations the polar substructures of pesticides have a higher probability of binding to the polar adsorption centers on the silica surface not covered by the hydrophobic ligand increasing in this manner the retention capacity of the support. Principal component analysis showed that PEE(sil) support has retention characteristics different from those of traditional reversed-phase supports.

KW - Chemometrics

KW - Pesticides

KW - Polyethylene-coated silica

KW - Principal component analysis

KW - Stationary phases, LC

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