Quantitative retention-activity relationship

Micelles are recognized as simple biomembrane models. Biomembrane and micelles have amphiphilic properties and are anisotropic, providing hydrophobic and electrostatic interaction sites. MLC combines the unique characteristics of micelles and the capabilities of RPLC in quantitative retention-activity relationships studies. 

Detroyer, A., VanderHeyden, Y., Cardo-Broch, S., Garda-Alvarez-Coque, M. C., Massart, D. L Quantitative structure-retention and retention-activity relationships of 3-blocking agents by micellar liquid chromatography. 

Aleksic et al. [47] estimated the hydrophobicity of miconazole and other antimycotic drugs by a planar chromatographic method. The retention behavior of the drugs have been determined by TLC by using the binary mobile phases acetone-n-hexane, methanol toluene, and methyl ethyl ketone toluene containing different amounts of organic modifier. Hydrophobicity was established from the linear relationships between the solute RM values and the concentration of organic modifier. Calculated values of RMO and CO were considered for application in quantitative structure activity relationship studies of the antimycotics. 

Braumann, T., Weber, G., Grimme, H. (1983) Quantitative structure-activity relationship for herbicides. Reversed-phase liquid chromatographic retention parameter log kw versus liquid-liquid partition coefficient as a model of the hydrophobicity of phenylureas s-tria/ines and phenoxycarbonic acid derivatives. J. Chromatogr. 261, 329-343. 

Schild, R., Donkin, P., Cotsifis, P. A. and Donkin, M. E. (1993) A quantitative structure-activity relationship for the effects of alcohols on neutral red retention by the marine macroalga Enteromorpha intestinalis. Chemosphere, 27, 1777-88. 

The octanol-water partition coefficient scale may not be the best tool for hydrophobicity evaluation. The ability of MLC for hydrophobicity measurement and some studies on quantitative structure retention activity relationships (QSAR) are described in Chapter 9. Chapters 10 and 11 contain selected examples of applications in the analysis of a variety of samples, especially pharmaceutical preparations and physiological fluids, some of them are taken from the authors own experience. Details on the nature of the sample, stationary phase, mobile phase composition, detection wavelength, and figures of merit, are tabulated at the end of each of these... 

J.M. Sanchis Mallols, R.M. Villanueva Camanas, S. Sagrado and M.J. Medina Hernandez, Quantitative Retention-Structure and Retention-Activity Relationship Studies of Ionic and Nonionic Catecholamines by MLC, Chromatographia, 46 605 (1997). 

Pyka and Dolowy published manuscripts which concern investigations of chromatographic separations by use of TLC, lipophilicity and application of structural descriptors in quantitative structure-activity relationships (QSAR), quantitative structure-property relationships (QSPR), and quantitative structure-retention relationships (QSRR) analysis of selected bile acids [C, GC, GDC, CDC, DC, LC, and glycolithochohc acid (GLC)]. " In this entry, the most important results of these investigations will be presented and discussed. 

The applications of the topological indices in investigations—quantitative stmcture-activity relationship (QSAR), quantitative sfructure-property relationship (QSPR), and quantitative sfructure-retention relationship (QSRR)— for organic compounds have been described in the scientific literature. The compounds investigated were homologous series or mixtures of compounds from different classes of... 

In recent years, three-dimensional quantitative structure biological activity relationship methods known as comparative molecular field analysis (CoMFA) has been applied to construct a 3D-QSRR model for prediction of retention data. The CoMFA 3D-QSRR model is obtained by systematically sampling the steric and electrostatic fields surrounding a set of analyte molecules. Next, the differences in these fields are correlated to the corresponding differences in retention. The CoMFA model was successfully applied to HPLC retention data of polycyclic aromatic hydrocarbons [60]. 

Breyer, E.D., Strasters, J.K. and Khaledi, M.G. (1991). Quantitative Retention-Biological Activity Relationship Study by Micellar Liquid Chromatography. AnaLChem., 63,828-833. 

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