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| Content Provider | World Health Organization (WHO)-Global Index Medicus |
|---|---|
| Author | Armstrong, Daniel W. Lehotay, Jozef Boronová, Katarína Hrobonová, Katarína |
| Description | Country affiliation: Slovakia Author Affiliation: Boronová K ( Department of Chemistry, Faculty of Natural Sciences, University of Ss. Cyril and Methodius, Nám. J. Herdu 2, SK-917 01 Trnava, Slovakia. katarina.boronova@ucm.sk) |
| Abstract | The aim of this work was to study the physicochemical interactions between chiral stationary phases and chiral molecules and to elucidate which of the specific interactions are more or less important. The HPLC separation of 58 aryloxyaminopropanols was performed on two chiral stationary phases containing the macrocyclic antibiotics teicoplanin or vancomycin and using a methanol/acetonitrile/acetic acid/triethylamine mobile phase (volume ratios 45/55/0.3/0.2). The resolution of enantiomers (Rij) as the target variable was predicted for the mentioned kind of compounds by means of thoroughly selected descriptors provided by the applied Dragon software. The created QSPR models can be considered as a way to explore and discover new relationships or interactions between the quantitative structure and resolution of enantiomers. For calculation and validation of the QSPR models, different modelling methodologies were applied based on MLR (multiple linear regression) and ANN (artificial neural network) techniques. Both methods exhibit an ability for successful prediction of the enantioresolution characteristics of the studied molecules. The results seem to demonstrate that it is possible to predict resolution values of enantiomeric separations of related compounds on given chromatographic systems. |
| ISSN | 00219673 |
| Volume Number | 1301 |
| e-ISSN | 18733778 |
| Journal | Journal of Chromatography A |
| Language | English |
| Publisher | Elsevier |
| Publisher Date | 2013-08-02 |
| Publisher Place | Netherlands |
| Access Restriction | One Nation One Subscription (ONOS) |
| Subject Keyword | Propanolamines Chemistry Teicoplanin Vancomycin Analysis Of Variance Artificial Intelligence Chromatography, High Pressure Liquid Linear Models Magnetic Resonance Spectroscopy Molecular Weight Principal Component Analysis Quantitative Structure-activity Relationship Reproducibility Of Results Software Solubility Stereoisomerism Journal Article Research Support, Non-u.s. Gov't Discipline Analytical Chemistry |
| Content Type | Text |
| Resource Type | Article |
| Subject | Organic Chemistry Medicine Analytical Chemistry Biochemistry |
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