(429e) Integration of Heuristic Knowledge in a Skin-Care Emulsion Design

Authors: 
Arrieta-Escobar, J., University of Lorraine
Orjuela, A., Universidad Nacional de Colombia
Bernardo, F. P., University of Coimbra
Camargo, M., University of Lorraine
Morel, L., University of Lorraine
The design of optimal mixtures is considered an important challenge in many industrial sectors (Cheng et al., 2009; Gani, 2004; Lee et al., 2014), mainly due to the need for a limited searching space for the most appropriate components, and their level of use within the final formulation. In recent years, many modelling approaches have been proposed to systematize and accelerate this screening process. Such approaches usually integrate rule-based elements and/or experiments in a combinatorial modelling problem with highly nonlinear expressions relating composition and product properties (Smith and Ierapepritou, 2010). Besides, in the industrial domain of cosmetic formulations, there is a considerable amount of available heuristic knowledge, regarding qualitative function of ingredients, as well as their impact on sensorial attributes. In a previous study (Arrieta-Escobar et al., 2017), a CAMD methodology (Achenie et al., 2002) integrated with heuristics was proposed for the case of hair care emulsions using mixed-integer optimization with logical constraints (Williams, 2013).

Here we illustrate the CAMD methodology integrated with heuristics and its use in the cosmetic emulsions design, using a body lotion as an example. Initially, the general structure of the methodology is presented; then, the heuristics regarding formulation and manufacture, the selected performance parameters for this kind of products, and the details of the experimental validation are described. The results show that the incorporation of heuristics into a systematic CAMD methodology using integer programming with logical constraints enables to obtain a set of feasible alternatives, which are optimised to meet the specified requirements of performance with a minimal cost. The obtained emulsion design was validated by developing and manufacturing a set of body lotion samples. The rheological, textural and microstructural properties of the samples, along with their consumer assessment, show that these alternatives met the expected properties. This methodology could be used as a rapid preliminary design tool for inexperienced cosmetic scientists and designers. Also it can help to reduce the time and resources spent in cosmetic emulsions design, comparing with the traditional trial-and-error methods.

References

Achenie, L.E.K., Gani, R., Venkatasubramanian, V. (Eds.), 2002. Computer Aided Molecular Design: Theory and Practice. Elsevier, Amsterdam.

Arrieta-Escobar, J.A., Bernardo, F.P., Orjuela, A., Camargo, M., Morel, L., 2017. An Integrated Methodology for Emulsified Cosmetic Product Formulation Using Integer Programming with Logical Constraints, in: Espuña, A., Graells, M., Puigjaner, L. (Eds.), Computer Aided Chemical Engineering. Elsevier B.V., Barcelona, Spain, pp. 985–990. https://doi.org/10.1016/B978-0-444-63965-3.50166-5

Cheng, Y.S., Lam, K.W., Ng, K.M., Ko, R.K.M., Wibowo, C., 2009. An integrative approach to product development—A skin-care cream. Comput. Chem. Eng. 33, 1097–1113. https://doi.org/10.1016/j.compchemeng.2008.10.010

Gani, R., 2004. Chemical product design: challenges and opportunities. Comput. Chem. Eng. 28, 2441–2457. https://doi.org/10.1016/j.compchemeng.2004.08.010

Lee, C.K.H., Choy, K.L., Chan, Y.N., 2014. A knowledge-based ingredient formulation system for chemical product development in the personal care industry. Comput. Chem. Eng. 65, 40–53. https://doi.org/10.1016/j.compchemeng.2014.03.004

Smith, B. V., Ierapepritou, M.G., 2010. Integrative chemical product design strategies: Reflecting industry trends and challenges. Comput. Chem. Eng. 34, 857–865. https://doi.org/10.1016/j.compchemeng.2010.02.039

Williams, H.P., 2013. Model building in mathematical programming, 5th ed. John Wiley & Sons, Inc., Chennai.

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