Investigation of retention behavior of drug molecules in supercritical fluid chromatography using linear solvation energy relationships

2008 ◽  
Vol 1206 (2) ◽  
pp. 186-195 ◽  
Author(s):  
Hai Bui ◽  
Thierry Masquelin ◽  
Tom Perun ◽  
Tom Castle ◽  
Jeff Dage ◽  
...  
Keyword(s):  
Supercritical Fluid ◽  
Supercritical Fluid Chromatography ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Retention Behavior ◽  
Drug Molecules ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Linear Solvation

Computational Parameters in Correlation Analysis: Gas-Water Distribution Coefficient

1999 ◽  
Vol 64 (11) ◽  
pp. 1727-1747 ◽  
Author(s):  
George R. Famini ◽  
Dalia Benyamin ◽  
Christina Kim ◽  
Rattiporn Veerawat ◽  
Leland Y. Wilson
Keyword(s):  
Correlation Analysis ◽  
Distribution Coefficient ◽  
Water Distribution ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationships ◽  
Linear Solvation Energy Relationship ◽  
Energy Relationships ◽  
Linear Solvation Energy ◽  
Water Equilibrium ◽  
Linear Solvation

Theoretical linear solvation energy relationships (TLSER) combine computational molecular parameters with the linear solvation energy relationship (LSER) of Kamlet and Taft to characterize and predict properties of compounds. This paper examines the correlation of the gas-water equilibrium constant for 423 compounds with the TLSER parameters. Also, it describes new parameters designed to improve the TLSER information content.

Sign in / Sign up

Export Citation Format

Share Document