Data-driven optimization of the in silico design of ionic liquids as interfacial cell culture fluids

Jun Nakanishi; Takeshi Ueki; Sae Dieb; Hidenori Noguchi; Shota Yamamoto; Keitaro Sodeyama

doi:10.1080/14686996.2024.2418287

Article Data-driven optimization of the in silico design of ionic liquids as interfacial cell culture fluids

Jun Nakanishi (Research Center for Macromolecules and Biomaterials/Biomaterials Field/Mechanobiology Group, National Institute for Materials Science) ; Takeshi Ueki (Research Center for Macromolecules and Biomaterials/Biomaterials Field/Mechanobiology Group, National Institute for Materials Science) ; Sae Dieb (Center for Basic Research on Materials/Data-driven Materials Research Field/Data-driven Materials Design Group, National Institute for Materials Science) ; Hidenori Noguchi (Research Center for Energy and Environmental Materials (GREEN)/Battery and Cell Materials Field/Interface Electrochemistry Group, National Institute for Materials Science) ; Shota Yamamoto (Research Center for Macromolecules and Biomaterials/Biomaterials Field/Mechanobiology Group, National Institute for Materials Science) ; Keitaro Sodeyama (Center for Basic Research on Materials, National Institute for Materials Science)

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Jun Nakanishi, Takeshi Ueki, Sae Dieb, Hidenori Noguchi, Shota Yamamoto, Keitaro Sodeyama. Data-driven optimization of the in silico design of ionic liquids as interfacial cell culture fluids. SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS. 2024, 25 (1), 2418287. https://doi.org/10.1080/14686996.2024.2418287

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As an alternative to conventional plastic dishes, the interface between water-immiscible hydrophobic fluids, such as perfluorocarbons and silicones, permits cell adhesion and growth. Thus, it is expected to replace the petroleum-derived products in a sustainable society. However, most hydrophobic fluids are cytotoxic, which limits the range of mechanical and chemical cues exposed to the cells. Using a data-driven approach, this study aimed to identify non-cytotoxic ionic liquids (ILs) as fluid culture platforms to take advantage of their ‘designer’ nature for broadening the possible physicochemical ranges exposed to cells and their repeated use owing to their high heat stability before their biological applications. The new candidates within the readily synthesized ammonium-type ILs were identified through the active cycle of regression and a limited number of cytotoxicity tests. Structure – cytotoxicity analysis indicated that the presence of multiple long alkyl branches was critical for low cytotoxicity. Particularly, we successfully cultured human mesenchymal stem cells (hMSCs) at the trihexylethylammonium trifluoromethylsulfonylimide interface and repeated their use after solvent extraction and heat sterilization. This study identified non-cytotoxic ILs that fulfill plastics’ 3 R (Reduce, Recycle, and Replace) requirements and opens new avenues for hMSC fate manipulation through mechanotransduction.

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