Automated off-line optimisation of programmed elutions in reversed-phase high-performance liquid chromatography using ternary solvent mixtures

Martínez-Pontevedra, J.A.

doi:10.1016/s0003-2670(03)01263-7

Cited by 1 publication

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“…In the case of binary elutions, linear or quadratic mathematical models allow in most cases an accurate enough representation of the retention for peaks. For ternary solvent systems, it is possible to model the whole search space using the Shepard algorithm (24) on transformed retention data (1/square root of retention data), although the number of priming experiments (between 12 and 18) is too high in most practical circumstances (1). Other approaches select an isoeluotropic plane, allowing all the peaks eluting in a reasonable time (e.g., retention factors -k-bellow 10).…”

Section: General Statement Of the Problem And Retention Modelsmentioning

confidence: 99%

“…A few years ago Martinez-Pontevedra et al (1) developed a general approach for ternary gradient separations. In this approach, the search space is not restricted, so the entire solvent triangle is optimized (or at least the maximum area feasible in experimental terms) by a computerized approach based on a powerful evolutionary algorithm (2) working on an islands model (3,4).…”

Section: Introductionmentioning

confidence: 99%

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A Binary-Like Approach for the Computer Assisted Method Development of Isocratic and Programmed Ternary Solvent Elutions in Reversed-Phase Liquid Chromatography

García-Lavandeira¹,

Martínez-Pontevedra²,

Cela³

2011

Journal of Chromatographic Science

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A specific tool to enable exploration of multisolvent isocratic and programmed elutions for the computer assisted method development of reversed-phase liquid chromatography separations is described. The tool is purposely identical to those used in the optimization of binary solvent systems, which are by far the most commonly used by chromatographers. Existing data from failed binary solvent optimization processes are reused to explore ternary solvent systems with a few additional isocratic and programmed runs. This allows the development of efficient retention models for ternary systems, although the work of the chromatographer remains identical to that for optimization of binary systems. The retention models are used to develop an unattended optimization process and finally, the chromatographer selects the most satisfactory solution for testing and implementing in routine analysis. The process is exemplified with a mixture of 12 compounds that cannot be separated satisfactorily in aqueous binary solvent systems with methanol and acetonitrile as modifiers.

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Section: General Statement Of the Problem And Retention Modelsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%