Effect of stereochemistry on the high-performance liquid chromatographic retention index of azabicycloalkanes

1984 ◽  
Vol 56 (14) ◽  
pp. 2932-2935 ◽  
Author(s):  
John K. Baker ◽  
Gilbert J. Hite ◽  
Marie. Reamer ◽  
Paul. Salva
Keyword(s):  
Retention Index ◽  
High Performance ◽  
High Performance Liquid Chromatographic ◽  
Chromatographic Retention ◽  
Liquid Chromatographic

QSPR Prediction of Retention Times of Methylxanthines and Cotinine by Bioplastic Evolution

2018 ◽  
Vol 3 (1) ◽  
pp. 74-87 ◽  
Author(s):  
Francisco Torrens ◽  
Gloria Castellano
Keyword(s):  
High Performance ◽  
Formation Enthalpy ◽  
Fractal Dimensions ◽  
High Performance Liquid Chromatographic ◽  
Chromatographic Retention ◽  
Structure Property ◽  
Structure Property Relationships ◽  
Prediction Of Retention ◽  
Acquired Characters ◽  
Liquid Chromatographic

High-performance liquid-chromatographic retention times of methylxanthines and cotinine in human plasma and urine are modelled by structure–property relationships. Bioplastic evolution is an evolutionary perspective conjugating the effect of acquired characters, and relations that emerge among the principles of evolutionary indeterminacy, morphological determination and natural selection. It is applied to design co-ordination index, which is used to characterize retentions of methylxanthines, etc. Parameters used to calculate co-ordination index are formation enthalpy, molecular weight and surface area. Morphological and co-ordination indices provide strong correlations. Effect of different types of features like thermodynamic, fractal, etc., are analyzed. The molar formation enthalpy, fractal dimensions, etc. distinguished methylxanthines and cotinine in linear fits. Different behaviour depends on number of C+N+O atoms.

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