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  • 1
    ISSN: 1612-1112
    Keywords: Gas chromatography ; Stationary phase characterization ; Principal component analysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary In this study, several new stationary phases were characterized by principal component analysis. Fourteen new stationary phases, including substituted phenyl and oligoethyleneoxide functionalities on polysiloxane polymers, were tested and compared to three well known stationary phases. The main features of these phases were studied using a series of test solutes of varying chemical characteristics representing the data set for principal component analysis. Two principal compounds were found to account for 99.20% of the variance (the first accounted for 94.96% and the second for 4.24%). The data were represented as a two-dimensional map for visual representation of the characteristics of these stationary phases. The first principal component represented a selectivity based on polarity (r2=0.998), while the second showed Lewis acid-base characteristics of the phases. Polarizable and amphoteric characteristics of these phases also became evident using this evaluation method.
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Structure-retention relationships ; Mathematical data analysis ; Phenol derivatives ; ODS and graphitized carbon columns
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The retention of 22 ring-substituted phenol derivatives on porous graphitized carbon (PGC) (eluents: acetonitrile — water and methanol — water mixtures) and on octadecylsilica (ODS) (eluents: methanol — 0.025 M KH2PO4 mixtures) was determined, and the relationship between retention and physicochemical parameters were evaluated by principal component analysis followed by two-dimensional nonlinear mapping and by cluster analysis as well as by canonical correlation analysis. Calculations proved that marked differences can be detected between the retention characteristics of PGC and ODS columns, and the electronic parameters of phenol derivatives have the highest impact on their retention. The comparison of various multivariate mathematical-statistical methods indicated that principal component analysis followed by two dimensional non-linear mapping is the most appropriate method for the evaluation of large data matrices in RP-HPLC.
    Type of Medium: Electronic Resource
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