Linked Life Data

19260006

Source:http://linkedlifedata.com/resource/pubmed/id/19260006

Statements in which the resource exists as a subject.
PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
5
pubmed:dateCreated
2009-3-10
pubmed:abstractText
The computer-assisted development of a CE method for compliance monitoring of a group of 17 antipsychotic drugs (chlorpromazine hydrochloride, clozapine, droperidol, flupenthixol dihydrochloride, fluphenazine dihydrochloride, haloperidol, pimozide, thioridazine hydrochloride, trifluoperazine dihydrochloride, prochlorperazine dimaleate, amisulpride, aripiprazole, olanzapine, quetiapine fumarate, risperidone, ziprasidone, and zuclopenthixol dihydrochloride) was performed. Peakmaster, a free simulation program for CE, was employed in a multivariate optimisation approach to determine suitable BGE conditions with minimal experimentation. However, analyte input parameters (pK(a) and limiting ionic mobility) were not included within the software and required determination. Limiting ionic mobility was determined experimentally, while pK(a) values were calculated using ACD Labs software. A modified chromatographic response factor, which identified the BGE providing the greatest resolution between each pair of peaks within 10 min, was used and determined a pH 2.5 and an ionic strength of 50 mM as optimal. Marked disparities were apparent between experimentally determined and computer-simulated results, due to error associated with pK(a) values calculated using ACD Labs. These results confirm that Peakmaster analyses are highly sensitive to pK(a) values, especially where the pH of the BGE is in the proximity of the analyte pK(a); but also that Peakmaster does allows a rational approach to dramatically reduce the amount of experimental work required for multivariate optimisation of conditions for CE.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
Mar
pubmed:issn
1522-2683
pubmed:author
pubmed:issnType
Electronic
pubmed:volume
30
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
839-47
pubmed:meshHeading
pubmed:year
2009
pubmed:articleTitle
Evaluation of Peakmaster for computer-aided multivariate optimisation of a CE separation of 17 antipsychotic drugs using minimal experimental data.
pubmed:affiliation
Australian Centre for Research on Separation Science, School of Chemistry, University of Tasmania, Hobart, Tasmania, Australia.
pubmed:publicationType
Journal Article