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7.3 Future research needs Below, we propose several future research needs that will be critical to successfully engineer biolog- ical, biohybrid, and bioinspired systems for the renewable production of solar fuels and chemicals. 7.3.1 Rational design of modular biological and bioinspired catalysts for direct energy conversion One of the “holy grails” in catalysis research is rational catalyst design. In this context, the lessons that can be extracted from natural systems may be great sources of inspiration, but such transfers of knowledge from biological systems to artificial systems (which may be homogeneous, heterogeneous, biohybrids, or engineered biological systems) with optimization of time scales, length scales, and energy scales at interfaces between modules can only be realized through detailed understanding of biological designs in a function-based systems engineering framework [7]. In particular, understanding how biology optimizes catalytic conversion will facilitate the distillation of design principles (DPs) (e.g. cofactor optimization) and functional requirements (FRs) (e.g. electron delivery and proton delivery) to feed into the systems engineering approach described below and illustrated in (Figure 7.3) [7]. To this end, the development and application of experimental and theoretical tools for studying biological processes in real time at the levels of the active site, the protein, and interprotein interactions is a critical research aim. Specifically, studies at the level of the metallocofactor active site are needed to reveal how the electronic and geometric structures of the metal active site evolve during the course of a reaction. Furthermore, the role of the primary and secondary coordination sphere, as well as the protein matrix, must be understood, which will require parallel advances in the synthesis of homogeneous molecular complexes and their integration into other higher order structures (e.g. supramolecular structures, polymers, semiconductors, metal organic frameworks, DNA origami, and enzymes). By extracting guiding DPs from understanding the active site and the protein matrix in small molecule activation, electron delivery, and proton delivery, one can exercise a modular approach to realize bio-inspired catalytic devices (Figure 7.3). Nature’s potential is based on an interplay between diversification at the base level and natu- ral selection at higher levels [12]. To mimic this, a modular approach to bio-inspired catalyst development relying on systems engineering theory is required. Such an approach should be function-based to reproduce the selection at higher levels, considering both technological and citizen needs. By defining FRs, mapping those onto DPs, and decomposing to define minimal sets of modules, redundancy can be avoided and robustness obtained [11]. From the diverse set of new scientific findings being constantly produced, molecular entities can be identified, interfaces opti- mized, and system morphologies determined, facilitating the development of bio-inspired catalysts and photon-to-product reaction cascades that work in synergy across interfaces (Figure 7.3). Since 72PDF Image | sustainable production of fuels and chemicals
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