Title : Catalytically programmed functional nano-objects using artificial intelligence
Abstract:
Rare earth metal-mediated group transfer polymerisation (REM-GTP) enables the synthesis of high precision polymers - among them the group of polyvinylphosphonates.1 Furthermore, this particular case of living catalytic polymerisation combines the positive attributes of anionic and coordinative polymerisation. By activation of the initiator sym-collidine with Cp2Y(CH2TMS)(THF) it is possible to produce a variety of polymers with a tailor-made polymer architecture.2 Vinylphosphonates (VP) offer a broad range of applications due to their high watersolubility and biocompatibility, such as in dental adhesives or bone cement.3 In addition, aqueous polyvinylphosphonate solutions are characterized by their thermoresponsiveness. They exhibit a lower critical solution temperature (LCST), classifying them as smart materials.4 Depending on the substituents at the monomers in the preliminary stage, this opens the possibility to obtain a variety of polymers with different properties. Especially since the individual monomers can also be used for block copolymerisation (Scheme 1).5 However, the synthesis of these polymers is considerably more difficult due to the high sensitivity to hydrolysis and the resulting instability of the catalyst. Even a tiny amount of residual moisture in the reactant, solvent or reaction vessels immediately decomposes the catalyst, which requires very careful and clean, elaborate work.2 To overcome the stability issues and to handle the catalyst in a facilitated way, we recently developed the first robot capable of performing a broad variety of homogeneously catalysed reactions autonomously. The apparatus can independently dose the water- and oxygen-sensitive monomers, catalysts and initiators in a highly controlled and precise manner into the reactor. The program controlling the robot is coded to combine up to seven different reactants at a time and to vary their ratio in every new reaction. In situ NMR analysis is used to adjust potential additional dosage of more reactants to obtain tailor-made polymers.
Audience Take Away
- Robot design and how to develop a laboratory automation program
- Smart and cost-efficient way to dose precisely and autonomously small amounts of liquid under inert conditions
- Insights on how to use artificial intelligence to automate chemical synthesis
- Overview of the homogeneous catalysis in the field of vinylphosphonates
- Unconventional and creative ways to transfer sensitive and instable reactants with limited resources
