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J Sep Sci ; 39(6): 1031-40, 2016 Mar.
Article in English | MEDLINE | ID: mdl-26768981

ABSTRACT

Chromatographic method development for preparative targets is a time-consuming and subjective process. This can be particularly problematic because of the use of valuable samples for isolation and the large consumption of solvents in preparative scale. These processes could be improved by using statistical computations to save time, solvent and experimental efforts. Thus, contributed by ESI-MS, after applying DryLab software to gain an overview of the most effective parameters in separation of synthesized celecoxib and its co-eluted compounds, design of experiment software that relies on multivariate modeling as a chemometric approach was used to predict the optimized touching-band overloading conditions by objective functions according to the relationship between selectivity and stationary phase properties. The loadability of the method was investigated on the analytical and semi-preparative scales, and the performance of this chemometric approach was approved by peak shapes beside recovery and purity of products.


Subject(s)
Celecoxib/chemical synthesis , Drug Design , Celecoxib/chemistry , Celecoxib/isolation & purification , Chromatography, High Pressure Liquid , Mass Spectrometry , Molecular Structure , Multivariate Analysis , Software
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