Retention modeling of some saccharides separated on an amino column.

Agata Kot-Wasik; Andrzej Wasik; Jacek Namieśnik; Costel Sarbu; Rodica Dominica Nascu-Birciu

doi:10.1080/10826076.2013.789806

Retention modeling of some saccharides separated on an amino column.

Abstract

Using an amino column (Supelcosil LC-NH2) and different mixtures of acetonitrile-water, quantitative structure-retention relationship models are discussed. These models are based on computed molecular descriptors representing numerically structured features of some saccharides. The obtained results are underlining the lipophilicity/hydrophilicity balance, and how this is controlling the separation of the saccharides. The resulting models ensued are characterized by a highly predictive capacity evaluated through a series of representative statistical indices (R2, Q2, SDEC, SDEP, s, and F). Moreover, using genetic algorithms for selection of the most important descriptors in the model, one-, two-, and three-descriptor models were selected and the contribution of each one was explained. As the majority of the selected descriptors is highly related to the functional groups existing in the molecule and to the effects caused by their presence, the retention mechanism involved in the chromatographic process appears to be mainly controlled by polar interactions.

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Authors (5)

Agata Kot-Wasik prof. dr hab. inż.
Andrzej Wasik prof. dr hab. inż.
Jacek Namieśnik prof. dr hab. inż.
Costel Sarbu
- Babeş-Bolyai University, Faculty of Chemistry and Chemical Engineering Department of Chemistry
Rodica Dominica Nascu-Birciu
- Babeş-Bolyai University, Faculty of Chemistry and Chemical Engineering Department of Chemistry

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Category:: Articles
Type:: artykuł w czasopiśmie wyróżnionym w JCR
Published in:: JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES no. 37, pages 1383 - 1396,
ISSN: 1082-6076
Language:: English
Publication year:: 2014
Bibliographic description:: Kot-Wasik A., Wasik A., Namieśnik J., Sarbu C., Nascu-Birciu R.: Retention modeling of some saccharides separated on an amino column.// JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES. -Vol. 37, nr. 10 (2014), s.1383-1396
DOI:: Digital Object Identifier (open in new tab) 10.1080/10826076.2013.789806
Verified by:: Gdańsk University of Technology