Computational characterization of biosurfactants for encapsulation of natural pesticides

AINIA and Nextmol have collaborated within the framework of the DIMAS project to computationally evaluate the key physico-chemical properties of biobased surfactants. DIMAS is an initiative focused on developing innovative and sustainable materials to enhance agricultural practices and reduce the impact of pests. The goal of this collaboration was to assess surfactant performance for the solubilization and encapsulation of natural extracts with antimicrobial activity, as environmentally friendly alternatives to conventional synthetic pesticides.

Using the NEXTMOL Lab computational platform, the team predicted a broad range of properties, from solubility and polarity to micelle formation, biodegradability, and stability, providing key insights that complement and guide experimental work.