Arbitrary Design of DNA-Programmable 3D Crystals through Symmetry Mapping

Area of Science:

• Nanotechnology
• Materials Science
• Biotechnology

Background:

• Nanoscale self-assembly enables intricate structure creation beyond traditional nanofabrication limits.
• DNA nanotechnology offers programmability but faces challenges in designing complex 3D superlattices due to interaction complexity.
• Streamlining assembly and component fabrication requires modular design strategies and reduced interaction complexity.

Purpose of the Study:

• To propose a symmetry-mapping bond assignment algorithm for designing arbitrary 3D lattices from voxels.
• To minimize the number of DNA-based voxels and reduce assembly information requirements.
• To develop a scalable inverse design approach for programming bottom-up nanomaterial fabrication.

Main Methods:

• Developed a symmetry-mapping bond assignment algorithm for designing 3D lattices.
• Incorporated experimentally relevant DNA binding rules and restrictions.
• Created software (MOSES) for Mapping Of Structurally Encoded aSsembly.
• Demonstrated the algorithm with zinc blende, cubic Laves phase, and custom 'H' lattices.

Main Results:

• The algorithm successfully guides the design of prescribed 3D lattices from voxels with directional, addressable bonds.
• Demonstrated capability in assembling nanoscale analogs of known structures (ZnS, MgCu2) and novel motifs.
• Minimized the complexity and number of DNA-based voxels required for assembly.
• Provided a scalable inverse design solution for complex 3D nanostructures.

Conclusions:

• The proposed algorithm offers a scalable solution for designing complex 3D nanostructures via DNA self-assembly.
• This inverse design approach facilitates programming bottom-up nanomaterial fabrication.
• The method enables the creation of nanostructures capable of carrying nanocargo.