Multiobjective evolutionary optimisation for surface-enhanced Raman scattering

详细信息    查看全文

• 作者：Roger M. Jarvis ; William Rowe ; Nicola R. Yaffe ; Richard O¡¯Connor ; Joshua D. Knowles ; Ewan W. Blanch and Royston Goodacre
• 关键词：SERS ; SERRS ; PESA ; II ; Evolutionary ; Optimisation ; l ; cysteine
• 刊名：Analytical and Bioanalytical Chemistry
• 出版年：2010
• 出版时间：July, 2010
• 年：2010
• 卷：397
• 期：5
• 页码：1893-1901
• 全文大小：208.1 KB

文摘

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.