Translating Nature’s Design Rules: How Catalysis and Life Science Guide Molecular Catassembly

Molecular assembly is a fundamental organizational principle in both living organisms and the fabrication of functional materials. However, artificial self-assembly systems lag far behind biological systems in terms of efficiency, controllability, complexity, and functionality. Here, inspired by catalysis in chemical reactions, we propose a novel strategy, termed as molecular catassembly, that employs catassemblers to dynamically manipulate cooperative multisite noncovalent interactions, thereby directing the pathway and accelerating assembly processes. By translating catalytic and biological principles into the catassembly, we summarize the distinctive features and multifaceted roles of catassemblers in manipulating cooperative multisite noncovalent interactions, facilitating mass transfer in crowded environments, and mediating energy transduction and feedback that endow systems with information-processing capabilities. Furthermore, we emphasize the pivotal role of catassemblers in multistep reaction-assembly cascades for the fabrication of hierarchical functional materials and the regulation of the cellular signaling pathway. We further elucidate how the integration of artificial intelligence technologies offers transformative potential to redefine the research paradigm of molecular (cat-)-assembly. Nevertheless, the research of catassembly remains in its infancy and demands the integration of advanced concepts and methodologies from multiple disciplines. Such interdisciplinary efforts will be crucial for unraveling the complexity and functionality of molecular assembly, ultimately offering new perspectives and methodologies for both life sciences and soft matter research.