Semiautomated Synthesis and Interactive Visualization of Zeolitic Imidazolate Framework-Based Biocomposites

Abstract Zeolitic imidazolate framework (ZIF) biocomposites are widely studied for their potential in biocatalysis and biomedicine. However, their preparation is highly sensitive to precursor composition, concentration, washing conditions, and operator-dependent handling procedures. Here, we combine a semiautomated syringe-pump system, high-throughput sample preparation, and digital data visualization to map synthesis–structure–property relationships in ZIF biocomposites. A programmable four-syringe pump platform was used to systematically prepare 360 distinct samples in triplicate, yielding 1080 samples. The investigated synthetic parameters were relative amounts of metal, ligand, protein, the total precursor concentration, and the washing protocol. Structural, chemical, and functional characterization yielded a data set of ∼2250 entries comprising crystalline-to-amorphous ratios, IR-based protein-to-framework ratios, encapsulation efficiency, and loading capacity. We note that exploring such a large data set manually can be challenging and that current static visualizations can hide meaningful trends. With the aim of enabling a customized and interactive exploration of the data, we designed the ZIF Biocomposite Explorer App (ZIF-BEA), which supports user-defined navigation in the space of the variables, providing direct access to experimental data and material properties. We anticipate that integrating large experimental data sets with interactive digital platforms may expedite the design of MOF-based biocomposites, while providing a transferable tool for the exploration of other classes of functional materials.