Networking chemical robots for reaction multitasking

Abstract

The development of the internet of things has led to an explosion in the number of networked devices capable of control and computing. However, whilst common place in remote sensing, these approaches have not impacted chemistry due to difficulty in developing systems flexible enough for experimental data collection. Herein we present a simple and affordable (<$500) chemistry capable robot built with a standard set of hardware and software protocols that can be networked to coordinate many chemical experiments in real time. We demonstrate how multiple processes can be done with two internet-connected robots collaboratively, exploring a set of azo-coupling reactions in a fraction of time needed for a single robot, as well as encoding and decoding information into a network of oscillating reactions. The system can also be used to assess the reproducibility of chemical reactions and discover new reaction outcomes using game playing to explore a chemical space.

Fig. 1

Schematic describing the concept of real-time networked chemical robots. Here four physically separated units (ChemPUs) are connected to a cloud via the internet. They receive the reactions parameters from the cloud in order to explore a chemical space in an optimised way, when the reactions are done the analysis results are returned and shared trough the cloud

Fig. 2

Agent-based simulations. a Scheme of the simulated search with the three different strategies. b Average number of searches needed under each strategy as a function of the number of robots. c Search efficiency in terms of the total number of searches that are needed on average

Fig. 3

Organic azo-dye chemical space. a System connections and reagents assignment to the pumps. b Three aniline derivatives were mixed in different order with sodium nitrite in an azo-coupling reaction (general procedure on right-hand side). The starting materials were chosen purposely to be used both as first and second reagents. c The addition of a basic solution to the product and a set of reagent ratios lead to a large variety of colours

Fig. 4

Platform collaboration. a Example of the organic space exploration managed by two collaborating units (squares and circles). b Twitter accounts used for real-time data sharing

Fig. 5

Real-time control of chemical oscillator. a BZ reaction synchronisation achieved by two units acting as leader and follower. b Zoomed plot of the periods, at 40 min the follower adds potassium bromates and overshoots, the period is then corrected with two small additions of water and is synchronised at 48 min. c Real data of encoding/decoding of ‘cronin lab’. Encoding of the word ‘cron’. d Each character is converted into the relative number using the optimised alphabet. e These numbers are converted first into octal and then into a frequency change by using the threshold table. f Final encoded message, each character is represented by two reagent additions. The amounts are reported as an example since real amounts are dynamic and are calculated in real time by monitoring the oscillation frequency

Fig. 6

Reproducibility of POM crystallisation. a Heat map of % reproducibility of each conditions that produced crystals at least once. b One-pot synthesis of the W₁₉Mn₂Se₂ polyoxometalate cluster with accompanying structure. c Three automated grid search results of reaction space (red = crystals, grey = precipitate, black = no crystals)

Fig. 7

Gameplay algorithm of player 1 vs player 2 in a series of Hex games. After the first game is complete strategies of the winner and loser diverge to explore unknown chemical space

Fig. 8

Discoveries over time player 1 vs player 2. A four Hex game sequence between two automated platforms. Game 1: initial game to establish winner/loser (same strategy), game 2: initial loser begins using expanded strategy and wins, no significant change in discoveries, games 3 and 4: players switch strategy for the final time, loser continues to make significantly more discoveries until the series ends