Chemometric Study of Retention Indices of Some Thiazolidinediones Derivatives in Two Low Polarity Stationary Phases

2014 ◽  
Vol 17 (7) ◽  
pp. 623-629 ◽  
Author(s):  
Adam Smolinski ◽  
Tatjana Djakovic-Sekulic
Keyword(s):  
Stationary Phases ◽  
Retention Indices

A CONTRIBUTION TO THE QUALITATIVE GC ANALYSIS OF SOME NON-CHLORINATED XENOBIOTIC CHEMICALS IN WASTE WATERS

1994 ◽  
Vol 30 (3) ◽  
pp. 91-93 ◽  
Author(s):  
Biljana D. Škrbic ◽  
Mirjana B. Vojinovic-Miloradov
Keyword(s):  
Experimental Data ◽  
Stationary Phases ◽  
Retention Indices ◽  
Waste Waters ◽  
Gc Analysis ◽  
Experimental Values ◽  
Xenobiotic Chemicals

Gas chromatographic unified retention indices of some chlorinated xenobiotic chemicals, as pollutants in waste waters, on OV-101 and SE-30 stationary phases are presented. These values agree well with the corresponding experimental values used in the statistical treaunent of the experimental data.

Predicting retention indices of aliphatic hydrocarbons on stationary phases modified with metallocyclams using quantitative structure-retention relationships

2011 ◽  
Vol 65 (2) ◽  
Author(s):  
Patryk Bielecki ◽  
Wiesław Wasiak
Keyword(s):  
Stationary Phases ◽  
Retention Indices ◽  
Quantitative Structure ◽  
Kováts Retention Indices ◽  
Cis And Trans Isomers ◽  
Structure Retention ◽  
Cyclam Complexes ◽  
Cis And Trans ◽  
Semi Empirical ◽  
Chemically Bonded Stationary Phase

AbstractThe quantitative structure-retention relationship (QSRR) was used to predict Kováts retention indices of forty-three volatile olefins on the chemically bonded stationary phase, containing 1,4,8,11-tetraazacycloteradecane (cyclam) complexes of copper(II) chloride. Retention indices were correlated with eleven descriptors derived from structures of olefins optimised using the molecular mechanics force field calculations (MM2). Descriptors were generated with the use of quantitative structure-activity relationships (QSAR), semi-empirical Austin Model 1 methods (AM1), and obtained from physicochemical databases. Five well-correlated models were built, with predictive coefficients of determination (R 2) values of 0.993 and 0.995. The dielectric energy (DE) descriptor was identified as being as important as the polarizability (P) descriptor in the process of separation of unsaturated olefins on stationary phases containing metal complexes. The DE index proved to be decisive in distinguishing between the geometric cis and trans isomers of the tested compounds.

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