Determination of the lipophilicity ofSalvia miltiorrhizaRadix et Rhizoma (danshen root) ingredients by microemulsion liquid chromatography: optimization using cluster analysis and a linear solvation energy relationship-based method

2015 ◽  
Vol 30 (7) ◽  
pp. 996-1006 ◽  
Author(s):  
Liangxing Li ◽  
Jianrui Yang ◽  
Hongzhang Huang ◽  
Liyuan Xu ◽  
Chongkai Gao ◽  
...  
Keyword(s):  
Cluster Analysis ◽  
Liquid Chromatography ◽  
Solvation Energy ◽  
Linear Solvation Energy Relationship ◽  
Linear Solvation Energy ◽  
Microemulsion Liquid Chromatography ◽  
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.

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