Izvorni znanstveni članak

Modification of Nonlinear Mapping Technique for Quantitative Structure-Retention Relationship Studies

Tibor Cserháti ; Institute of Chemistry, Chemical Research Centre, Hungarian Academy of Sciences, P.O.Box 17, 1525 Budapest, Hungary
Esther Forgács ; Institute of Chemistry, Chemical Research Centre, Hungarian Academy of Sciences, P.O.Box 17, 1525 Budapest, Hungary
Zdenek Deyl ; Institute of Physiology, Czech Academy of Sciences, Prague, Czech Repuhlic
Ivan Miksik ; Institute of Physiology, Czech Academy of Sciences, Prague, Czech Repuhlic
Adam Eckhardt ; Institute of Physiology, Czech Academy of Sciences, Prague, Czech Repuhlic

Sažetak

The retention of 19 solutes (Ala, Gly, Lys, Phe and their homopeptides) has been determined on impregnated alumina layers using various mixtures of water-methanol as mobile phases. Lipophilicity and specific hydrophobic surface area of solutes were estimated from linear correlations between the retention of solutes and the concentration of methanol in the mobile phase. The relationship between the hydrophobic retention parameters and physicochemical parameters has been elucidated by the principal component (PC) analysis followed by nonlinear mapping carried out on both the original and absolute values of PC loadings and variables. Ala, Gly, Lys and their homopeptides showed anomalous behavior, the retention increasing with increasing the concentration of methanol in the mobile phase. The use of absolute values in the calculations enhanced the reliability of the mapping technique. It was found that other than hydrophobic forces are involved in the solute stationary phase interaction (mixed retention mechanism).

Ključne riječi

structure-retention relationship; principal component analysis; nonlinear mapping technique; amino acids and homopeptides

Hrčak ID:

127480

URI

https://hrcak.srce.hr/127480

Datum izdavanja:

4.2.2002.

Posjeta: 600 *