Formulation Science: Challenges, Trends and Paradigm Shifts (J.M. Aubry)
Formulation aims to judiciously combine active ingredients and additives to deliver a ready-to-use product that meets predefined specifications. This procedure, as old as humanity itself, is undergoing profound changes driven by two major trends of the 21st century: sustainable development and digital revolution. The former presents new scientific and technical challenges, while the latter offers new opportunities for experimentation, prediction, and data processing.
The new expectations of clients (both consumers and industrials) and increasingly stringent regulations force formulators to abandon highly effective raw materials that pose public health or environmental risks. Tackling this challenge requires the eco-design of new ingredients and the reformulation of obsolete products by leveraging new experimental and conceptual tools as well as and molecular modelling.
To illustrate this approach, two relevant issues will be discussed:
Development of carbon-based cosmetic oils as substitutes for volatile silicones [1,2]
Design of Natural Deep Eutectic Solvents (NADES) using the theoretical COSMO-RS approache [3,4]
[1] Emollients – Structures Chimiques, Propriétés Physicochimiques et Sensorielles V. GOUSSARD, J.M. AUBRY, V. NARDELLO-RATAJ; Techniques de l’Ingénieur (2019) J3005
[2] New Machine-Learning Tool for Fast Estimation of Liquid Viscosity. Application to Cosmetic Oils V. GOUSSARD, F. DUPRAT, G. DREYFUS, V. NARDELLO-RATAJ, VERONIQUE; J-M. AUBRY J. Chem. Inf. Model. (2020) 60, 2012
[3] COSMO-RS:applications en formulation
T. Gaudin, J.M. AUBRY; Techniques de l’Ingénieur (2023), J2116, 1-27
[4] Powering the future of Cosmetics, Fragrances, and Foods with COSMO-RS. Part 1 – Bibliometric and Methodological Aspects.T. Gaudin, J.M. AUBRY; Curr. Opinion Coll Interf Sc (2024) Submitted