Improving the visualization of the Pareto-optimal front for the multi-response optimization of chromatographic determinations

Ortiz, M.C.; Sarabia, L.A.; Sánchez, M.S.; Arroyo, David

doi:10.1016/j.aca.2010.12.023

Cited by 22 publications

(9 citation statements)

References 17 publications

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“…This assumption is even more important when multiple responses have to be considered for the optimum localization. To find the best compromise among the optimal conditions identified for each response, the “multi‐criteria decision making” approach of Pareto fronts was used . A list of candidate predicted responses were plotted against one another, and the non‐dominated point, which corresponded to acceptable values for all responses, was selected as the optimal set of conditions.…”

Section: Resultsmentioning

confidence: 99%

The experimental design approach to the optimization of a simple quick easy cheap effective rugged and safe method for the analysis of phytoestrogens in complex soy‐based food

Benedetti

Magi

Carro

2019

J of Separation Science

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The present paper deals with the multivariate optimization of an extractionpurification strategy for the determination of phytoestrogens (daidzein, genistein, coumestrol, formononetin, and biochanin A) in soy-based meat substitutes by high performance liquid chromatography with tandem mass spectrometry. For a reliable quantitation of these new concerning compounds in such a complex matrix, recovery and matrix effect must be carefully evaluated. Therefore, two sequential experimental designs were used to optimize the sample-pretreatment of soy-based burgers:the chosen technique was the quick, easy, cheap, effective, rugged and safe methodology, which does not require any particular facility or instrumentation. Thanks to the first screening design (Plackett-Burman), the significant factors influencing the studied responses were identified and further investigated through a response surface design (Box-Behnken). The optimal values of the variables (volume of extraction solvent mix/sample mass ratio and two clean-up sorbents) led to quantitative recoveries (97-104%) and low ion suppression (matrix effect 60-93%) for all analytes. This optimized method was characterized by low detection limits (0.2-1.5 ng/g) and excellent intraday precision (RSD 2-4%). It was applied to the determination of the considered compounds in several soy-burgers from the Italian market, detecting low ng/g levels (up to 40 ng/g) of coumestrol, formononetin, and biochanin A, and high concentrations (7.9-78 µg/g) of genistein and daidzein.

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Section: Resultsmentioning

confidence: 99%

The experimental design approach to the optimization of a simple quick easy cheap effective rugged and safe method for the analysis of phytoestrogens in complex soy‐based food

Benedetti

Magi

Carro

2019

J of Separation Science

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“…Thus, other approaches or methods like those introduced in the literature are useful. Graphical approaches suggested in the literature are alternatives as well.…”

Section: Results Discussionmentioning

confidence: 99%

Multiresponse problems: desirability and other optimization approaches

Costa

Lourenço

2016

Journal of Chemometrics

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A diversity of multiresponse optimization methods has been introduced in the literature; however, their performance has not been thoroughly explored, and only a classical desirability‐based criterion has been commonly used. With the aim of contributing to help practitioners in selecting an effective criterion for solving multiresponse optimization problems developed under the response surface methodology framework, and thus to find compromise solutions that are technically and economically more favorable, the working ability of several easy‐to‐use criteria is evaluated and compared with that of a theoretically sound method. Four case studies with different numbers and types of responses are considered. Less‐sophisticated criteria were able to generate solutions similar to those generated by sophisticated methods, even when the objective is to depict the Pareto frontier in problems with conflicting responses. Two easy‐to‐use criteria that require less‐subjective information from the user yielded solutions similar to those of a classical desirability‐based criterion. Preference parameters range and increment impact on optimal solutions were also evaluated.

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“…In contrast, parallel coordinate plots [ Inselberg , ; Wegman , ] arrange numerous axes in parallel and use polygonal lines that span axes to represent Cartesian points. Recent uses in water management studies include to visualize discrete points on pareto frontiers [e.g., Kasprzyk et al ., ; Ortiz et al ., ; Shenfield et al ., ; Stummer and Kiesling , ]. Beyond discrete points, parallel coordinate systems also uniquely represent line, curve, and other Cartesian concepts [ Inselberg , ] and these correspondences can be used to visualize high‐dimensional near‐optimal regions.…”

Section: Parallel Coordinate Visualizationmentioning

confidence: 99%

Blended near‐optimal alternative generation, visualization, and interaction for water resources decision making

Rosenberg

2015

Water Resources Research

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State-of-the-art systems analysis techniques focus on efficiently finding optimal solutions. Yet an optimal solution is optimal only for the modeled issues and managers often seek near-optimal alternatives that address unmodeled objectives, preferences, limits, uncertainties, and other issues. Early on, Modeling to Generate Alternatives (MGA) formalized near-optimal as performance within a tolerable deviation from the optimal objective function value and identified a few maximally different alternatives that addressed some unmodeled issues. This paper presents new stratified, Monte-Carlo Markov Chain sampling and parallel coordinate plotting tools that generate and communicate the structure and extent of the nearoptimal region to an optimization problem. Interactive plot controls allow users to explore region features of most interest. Controls also streamline the process to elicit unmodeled issues and update the model formulation in response to elicited issues. Use for an example, single-objective, linear water quality management problem at Echo Reservoir, Utah, identifies numerous and flexible practices to reduce the phosphorus load to the reservoir and maintain close-to-optimal performance. Flexibility is upheld by further interactive alternative generation, transforming the formulation into a multiobjective problem, and relaxing the tolerance parameter to expand the near-optimal region. Compared to MGA, the new blended tools generate more numerous alternatives faster, more fully show the near-optimal region, and help elicit a larger set of unmodeled issues.

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Improving the visualization of the Pareto-optimal front for the multi-response optimization of chromatographic determinations

Cited by 22 publications

References 17 publications

The experimental design approach to the optimization of a simple quick easy cheap effective rugged and safe method for the analysis of phytoestrogens in complex soy‐based food

The experimental design approach to the optimization of a simple quick easy cheap effective rugged and safe method for the analysis of phytoestrogens in complex soy‐based food

Multiresponse problems: desirability and other optimization approaches

Blended near‐optimal alternative generation, visualization, and interaction for water resources decision making

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