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Enhanced methodology for porting ion chromatography retention data
journal contribution
posted on 2016-03-04, 00:00 authored by Soo Hyun Park, Robert ShellieRobert Shellie, Greg W Dicinoski, Georg Schuster, Mohammad Talebi, Paul R Haddad, Roman Szucs, John W Dolan, Christopher A PohlPorting 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.
History
Journal
Journal of chromatography aVolume
1436Pagination
59 - 63Publisher
ElsevierLocation
Amsterdam, The NetherlandsPublisher DOI
ISSN
0021-9673eISSN
1873-3778Language
engPublication classification
C1 Refereed article in a scholarly journalCopyright notice
2016, Elsevier B.V.Usage metrics
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No categories selectedKeywords
Ion chromatographyMethod translationPortingPrediction of retention timesSimulation of separationsAnionsBromidesChloridesChromatography, Ion ExchangeDatabases, FactualIodidesIon ExchangePerchloratesScience & TechnologyLife Sciences & BiomedicinePhysical SciencesBiochemical Research MethodsChemistry, AnalyticalBiochemistry & Molecular BiologyChemistryFAST LIQUID-CHROMATOGRAPHYPHARMACEUTICAL ANALYSISSMALL-PARTICLECOLUMNSPHASEOPTIMIZATIONPREDICTIONSEPARATIONSYSTEMS
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