Reducing dimensionality in principal component analysis - A method comparison

The retention time of 10 ring-substituted aniline derivatives was determined on six different reversed-phase stationary phases and the retention parameters log k, theoretical plate number (N) and asymmetry factor (F) were calculated for each analyte on each column. The similarities and differences among the stationary phase and analytes were assessed by principal component analysis coupled with nonlinear mapping and cluster analysis. Computations demonstrated that the retention characteristics of both the stationary phases and analytes markedly deviate from each other. Calculations indicated that the results considerably depend on the multivariate method applied, therefore, the employment of more than than one computation method and the critical comparison of the results is highly advocated.