Multiobjective evolutionary optimisation for surface-enhanced Raman scattering
| Autor: | Richard O’Connor, Nicola R. Yaffe, Ewan W. Blanch, Royston Goodacre, William Rowe, Roger M. Jarvis, Joshua Knowles |
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| Rok vydání: | 2010 |
| Předmět: | |
| Zdroj: | Analytical and Bioanalytical Chemistry. 397:1893-1901 |
| ISSN: | 1618-2650 1618-2642 |
| DOI: | 10.1007/s00216-010-3739-z |
| Popis: | In most optimisation experiments, a single parameter is first optimised before a second and then third one are subsequently modified to give the best result. By contrast, we believe that simultaneous multiobjective optimisation is more powerful; therefore, an optimisation of the experimental conditions for the colloidal SERS detection of L-cysteine was carried out. Six aggregating agents and three different colloids (citrate, borohydride and hydroxylamine reduced silver) were tested over a wide range of concentrations for the enhancement and the reproducibility of the spectra produced. The optimisation was carried out using two methods, a full factorial design (FF, a standard method from the experimental design literature) and, for the first time, a multiobjective evolutionary algorithm (MOEA), a method more usually applied to optimisation problems in computer science. Simulation results suggest that the evolutionary approach significantly out-performs random sampling. Real experiments applying the evolutionary method to the SERS optimisation problem led to a 32% improvement in enhancement and reproducibility compared with the FF method, using far fewer evaluations. |
| Databáze: | OpenAIRE |
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