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Enhanced methodology for porting ion chromatography retention data

Citation

Park, SH and Shellie, RA and Dicinoski, GW and Schuster, G and Talebi, M and Haddad, PR and Szucs, R and Dolan, JW and Pohl, CA, Enhanced methodology for porting ion chromatography retention data, Journal of Chromatography A, 1436 pp. 59-63. ISSN 0021-9673 (2016) [Refereed Article]

Copyright Statement

Crown Copyright 2016

DOI: doi:10.1016/j.chroma.2016.01.031

Abstract

Porting is a powerful methodology to recalibrate an existing database of ion chromatography (IC) retention times by reflecting the changes of column behavior resulting from either batch-to-batch variability in the production of the column or the manufacture of new versions of a column. This approach has been employed to update extensive databases of retention data of inorganic and organic anions forming part of the "Virtual Column" software marketed by Thermo Fisher Scientific, which is the only available commercial optimization tool for IC separation. The current porting process is accomplished by performing three isocratic separations with two representative analyte ions in order to derive a porting equation which expresses the relationship between old and new data. Although the accuracy of retention prediction is generally enhanced on new columns, errors were observed on some columns. In this work, the porting methodology was modified in order to address this issue, where the porting equation is now derived by using six representative analyte ions (chloride, bromide, iodide, perchlorate, sulfate, and thiosulfate). Additionally, the updated porting methodology has been applied on three Thermo Fisher Scientific columns (AS20, AS19, and AS11HC). The proposed approach showed that the new porting methodology can provide more accurate and robust retention prediction on a wide range of columns, where average errors in retention times for ten test anions under three eluent conditions were less than 1.5%. Moreover, the retention prediction using this new approach provided an acceptable level of accuracy on a used column exhibiting changes in ion-exchange capacity.

Item Details

Item Type:Refereed Article
Keywords:Computer optimisation, ion chromatography, retention modelling
Research Division:Chemical Sciences
Research Group:Analytical Chemistry
Research Field:Separation Science
Objective Division:Expanding Knowledge
Objective Group:Expanding Knowledge
Objective Field:Expanding Knowledge in the Chemical Sciences
Author:Park, SH (Ms Soo Park)
Author:Shellie, RA (Associate Professor Robert Shellie)
Author:Dicinoski, GW (Associate Professor Gregory Dicinoski)
Author:Schuster, G (Dr Georg Schuster)
Author:Talebi, M (Dr Mohammad Talebi)
Author:Haddad, PR (Professor Paul Haddad)
ID Code:115078
Year Published:2016
Funding Support:Australian Research Council (LP120200700)
Web of Science® Times Cited:5
Deposited By:Chemistry
Deposited On:2017-03-07
Last Modified:2017-10-31
Downloads:0

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