Chemometrics approaches to green analytical chemistry procedure development

Chemometric tools are widely used in analytical chemistry for the reduction of data dimensionality, grouping of variables, and processing of analytical signals. They have also the potential to be applied in analytical procedure development with the aim of minimizing the procedure's environmental impact. The design of experiment gives the possibility to obtain much better information on the system response than in the case of 'changing one variable at a time' approach. This results in materials and energy savings. Desirability functions applied together with the design of experiment create a possibility to include in procedure development the variables that directly refer to the procedure's greenness. In this way, analysis time, consumption of solvents or reagents, and mobile phase (in the case of liquid chromatography) can be minimized. Cluster analysis and principal component analysis are successfully applied to find greener solvent alternatives.

Automated summary

Chemometric tools are widely used in analytical chemistry for data reduction and processing, with the potential to minimize environmental impact and achieve savings in materials and energy. Cluster analysis and principal component analysis are successfully applied to find greener alternatives in solvent selection.