Statistical designs and response surface techniques for the optimization of chromatographic systems
Sérgio L.C. Ferreiraa b✉, Roy E. Brunsc, Erik Galvão Paranhos da Silvab d, Walter Nei Lopes dos Santose, Cristina Maria Assis Lopes Tavares da Mata Hermida Quintellab d, Jorge M. Davidb d, Jaílson B. de Andradeb d, Márcia Cristina Breitkreitzc, Isabel Cristina Sales Fontes Jardimc, Benício de Barros Netof
- aUniversidade Federal da Bahia, Instituto de Química, Campus Universitário de Ondina, Salvador, Bahia 40170-290, Brazil. slcf@ufba.br
- bUniversidade Federal da Bahia, Instituto de Química, Campus Universitário de Ondina, Salvador, Bahia, 40170-290, Brazil
- cUniversidade Estadual de Campinas, Instituto de Química, Campinas, São Paulo 13084-971, Brazil
- dUniversidade Federal da Bahia, Instituto de Química, Campus Universitário de Ondina, Salvador, Bahia 40170-290, Brazil
- eUniversidade Estadual de Santa Cruz, Departamento de Ciências Exatas, Ilhéus, Bahia 45650-000, Brazil
- fUniversidade Federal de Pernambuco, Departamento de Química fundamental, Recife, Pernanbuco 50740-540, Brazil
- ✉Corresponding author
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Abstract
This paper describes fundamentals and applications of multivariate statistical techniques for the optimization of chromatographic systems. The surface response methodologies: central composite design, Doehlert matrix and Box-Behnken design are discussed and applications of these techniques for optimization of sample preparation steps (extractions) and determination of experimental conditions for chromatographic separations are presented. The use of mixture design for optimization of mobile phases is also related. An optimization example involving a real separation process is exhaustively described. A discussion about model validation is presented. Some applications of other multivariate techniques for optimization of chromatographic methods are also summarized.