Extraction, Identification and Enzymatic Synthesis of Acylated Derivatives of Anthocyanins from Jaboticaba (Myrciaria Cauliflora) Fruits with Chemspeed’s Fully Automated SYNTHESIZER

Ruthenium oxides (RuOx) are promising alternatives to iridium catalysts for the oxygen-evolution reaction in proton-exchange membrane water electrolysis but lack stability in acid. Alloying with other elements can improve stability and performance but enlarges the search space.

Microwave technology offers rapid, selective, and efficient heating, making it a valuable tool for process intensification. In this context, this study employed microwave energy for rapid reaction optimization and reliable kinetic analysis for the catalytic conversion of glucose. Dehydration (DeH) and retro-aldol condensation (RAC) are two main routes for the catalytic conversion of glucose into valuable platform chemicals such as levulinic acid, methyl lactate, and other byproducts.

Bridging AI and self-driving laboratories, we introduce the first fully-automated, closed-loop molecular discovery cycle, exemplified by the identification of novel JAK inhibitors. With minimal human intervention, we combined AI-driven molecular design and retrosynthesis with IBM’s synthesis automation system RoboRXN and Arctoris’ Ulysses platform for automated in-vitro screening.