Use of chemometric approaches to method development

Chemometrics has been defined in some texts [155] as the entire process whereby data are transformed into information used for decision-making. It is this definition that is the most applicable to separation sciences, more specifically in method development and optimisation in liquid chromatography. In this example, chemometrics has been used to predict optimum separation conditions based on empirical data and other separation information. Chemometric approaches to method development can be based on either sequential simplex models [156] or simultaneous fixed factorial designs [157] or interactive mixture designs [158] which combine the advantages of simultaneous and simplex models. 

Other recently developed chemometric approaches include Heuristic evolving latent projections (HELP) [162] which is primarily used for the analysis of qualitative and quantitative data from 2-dimensional data (e.g. HPLC DAD) used for complex mixtures, and HELP lessens the demand on developing complicated separation methods mixed level orthogonal array design (ML-OAD) has been used to optimise the parameters involved in HPLC detection [163]. The LC methods for determining the purity of tetracycline HCl and resolution 

COC-SVE Cool-on-column with solvent vapour exit 

FSW-EFA Fixed size moving window-evolving factor analysis 

PDHID Pulsed discharge helium ionisation detector 

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