Chemometric outlook on correlations between retention parameters of polar and semipolar HPLC columns and physicochemical characteristics of ampholytic substances of biological and pharmaceutical relevance
Urszula Judycka , Karolina Jagiełło , Maciej Gromelski , Leszek Bober , Jerzy Błażejowski , Tomasz Puzyn
AbstractThe Quantitative Property-Retention Relation (QPRR) approach was applied to analyze the correlations between the retention parameters of ampholytic, biologically active substances and their physicochemical (predicted/spectral) characteristics. The retention parameters were obtained for polar and semipolar HPLC columns at various compositions of mobile phases and pH conditions. These values are a unique collection of chromatographic parameters that are a measure of lipophilicity and, consequently, can be very helpful in assessing pharmacological potency of the compounds investigated. Three QPRR models that meet the predictive capability criteria were developed. The relationships can be used to gain pharmacologically interesting information on the biologically active ampholytic substances.
|Journal series||Structural Chemistry, ISSN 1040-0400, (A 25 pkt)|
|Publication size in sheets||0.5|
|Keywords in English||HPLC with polar and semipolar columns, retention versus physicochemical (predicted/spectral) molecular characteristics, chemometric analysis, QPRR models, similarity analysis|
|License||Journal (articles only); published final; ; with publication|
|Score|| = 25.0, 11-09-2018, ArticleFromJournal|
= 25.0, 11-09-2018, ArticleFromJournal
|Publication indicators||: 2016 = 1.582 (2) - 2016=1.372 (5)|
* presented citation count is obtained through Internet information analysis and it is close to the number calculated by the Publish or Perish system.