Effects of Design Choices on the Stiffness of Wireframe DNA Origami Structures.

DNA origami is a powerful method for the creation of 3D nanoscale objects, and in the past few years, interest in wireframe origami designs has increased due to their potential for biomedical applications. In DNA wireframe designs, the construction material is double-stranded DNA, which has a persistence length of around 50 nm. In this work, we study the effect of various design choices on the stiffness versus final size of nanoscale wireframe rods, given the constraints on origami designs set by the DNA origami scaffold size. An initial theoretical analysis predicts two competing mechanisms limiting rod stiffness, whose balancing results in an optimal edge length. For small edge lengths, the bending of the rod's overall frame geometry is the dominant factor, while the flexibility of individual DNA edges has a greater contribution at larger edge lengths. We evaluate our design choices through simulations and experiments and find that the stiffness of the structures increases with the number of sides in the cross-section polygon and that there are indications of an optimal member edge length. We also ascertain the effect of nicked DNA edges on the stiffness of the wireframe rods and demonstrate that ligation of the staple breakpoint nicks reduces the observed flexibility. Our simulations also indicate that the persistence length of wireframe DNA structures significantly decreases with increasing monovalent salt concentration.

[1]  Maximilian T. Strauss,et al.  Quantifying absolute addressability in DNA origami with molecular resolution , 2018, Nature Communications.

[2]  Cameron Myhrvold,et al.  Barcode extension for analysis and reconstruction of structures , 2017, Nature Communications.

[3]  P. Rothemund,et al.  Engineering and mapping nanocavity emission via precision placement of DNA origami , 2016, Nature.

[4]  Pekka Orponen,et al.  Computer‐Aided Production of Scaffolded DNA Nanostructures from Flat Sheet Meshes , 2016, Angewandte Chemie.

[5]  W. Chiu,et al.  Designer nanoscale DNA assemblies programmed from the top down , 2016, Science.

[6]  Michael Matthies,et al.  Design and Synthesis of Triangulated DNA Origami Trusses. , 2016, Nano letters.

[7]  Hao Yan,et al.  Complex wireframe DNA origami nanostructures with multi-arm junction vertices. , 2015, Nature nanotechnology.

[8]  Pekka Orponen,et al.  DNA rendering of polyhedral meshes at the nanoscale , 2015, Nature.

[9]  Flavio Romano,et al.  Introducing improved structural properties and salt dependence into a coarse-grained model of DNA. , 2015, The Journal of chemical physics.

[10]  Hongbin Li,et al.  Easyworm: an open-source software tool to determine the mechanical properties of worm-like chains , 2014, Source Code for Biology and Medicine.

[11]  Björn Högberg,et al.  Spatial control of membrane receptor function using ligand nanocalipers , 2014, Nature Methods.

[12]  Tim Liedl,et al.  Wireframe and tensegrity DNA nanostructures. , 2014, Accounts of chemical research.

[13]  Johannes B. Woehrstein,et al.  Polyhedra Self-Assembled from DNA Tripods and Characterized with 3D DNA-PAINT , 2014, Science.

[14]  I. Z. Reguly,et al.  A comparison between parallelization approaches in molecular dynamics simulations on GPUs , 2014, J. Comput. Chem..

[15]  Jejoong Yoo,et al.  In situ structure and dynamics of DNA origami determined through molecular dynamics simulations , 2013, Proceedings of the National Academy of Sciences.

[16]  Lorenzo Rovigatti,et al.  Coarse-graining DNA for simulations of DNA nanotechnology. , 2013, Physical chemistry chemical physics : PCCP.

[17]  T. Liedl,et al.  Nanoscale structure and microscale stiffness of DNA nanotubes. , 2013, ACS nano.

[18]  M. Rief,et al.  Rigid DNA Beams for High-Resolution Single-Molecule Mechanics** , 2013, Angewandte Chemie.

[19]  Zhong Jin,et al.  Metallized DNA nanolithography for encoding and transferring spatial information for graphene patterning , 2013, Nature Communications.

[20]  Hao Yan,et al.  DNA Gridiron Nanostructures Based on Four-Arm Junctions , 2013, Science.

[21]  D. Rayneau-Kirkhope,et al.  Ultralight fractal structures from hollow tubes. , 2012, Physical review letters.

[22]  Shawn M. Douglas,et al.  A Logic-Gated Nanorobot for Targeted Transport of Molecular Payloads , 2012, Science.

[23]  M. Bathe,et al.  Quantitative prediction of 3D solution shape and flexibility of nucleic acid nanostructures , 2011, Nucleic acids research.

[24]  F. Simmel,et al.  DNA-based self-assembly of chiral plasmonic nanostructures with tailored optical response , 2011, Nature.

[25]  Hao Yan,et al.  DNA Origami with Complex Curvatures in Three-Dimensional Space , 2011, Science.

[26]  J. Doye,et al.  Structural, mechanical, and thermodynamic properties of a coarse-grained DNA model. , 2010, The Journal of chemical physics.

[27]  Adam H. Marblestone,et al.  Rapid prototyping of 3D DNA-origami shapes with caDNAno , 2009, Nucleic acids research.

[28]  Shawn M. Douglas,et al.  Self-assembly of DNA into nanoscale three-dimensional shapes , 2009, Nature.

[29]  C. Mao,et al.  Hierarchical self-assembly of DNA into symmetric supramolecular polyhedra , 2008, Nature.

[30]  P. Rothemund Folding DNA to create nanoscale shapes and patterns , 2006, Nature.

[31]  Russell P. Goodman,et al.  Rapid Chiral Assembly of Rigid DNA Building Blocks for Molecular Nanofabrication , 2005, Science.

[32]  William M. Shih,et al.  A 1.7-kilobase single-stranded DNA that folds into a nanoscale octahedron , 2004, Nature.

[33]  Eduardo A. Fierro Structures , 2003, Composite Architecture.

[34]  J. Howard,et al.  Mechanics of Motor Proteins and the Cytoskeleton , 2001 .

[35]  S. Smith,et al.  Ionic effects on the elasticity of single DNA molecules. , 1997, Proceedings of the National Academy of Sciences of the United States of America.

[36]  J. Dubochet,et al.  Opposite effect of counterions on the persistence length of nicked and non-nicked DNA. , 1997, Journal of molecular biology.

[37]  Wilhelm,et al.  Radial Distribution Function of Semiflexible Polymers. , 1996, Physical review letters.

[38]  N. Seeman,et al.  Construction of a DNA-Truncated Octahedron , 1994 .

[39]  N. Seeman,et al.  Synthesis from DNA of a molecule with the connectivity of a cube , 1991, Nature.

[40]  N. Seeman Nucleic acid junctions and lattices. , 1982, Journal of theoretical biology.

[41]  J. Schellman,et al.  Flexibility of DNA , 1974, Biopolymers.

[42]  W. R. Dean On the Theory of Elastic Stability , 1925 .

[43]  Liping Liu THEORY OF ELASTICITY , 2012 .

[44]  Erik Winfree,et al.  Self-assembly of carbon nanotubes into two-dimensional geometries using DNA origami templates. , 2010, Nature nanotechnology.

[45]  N. Stellwagen,et al.  DNA persistence length revisited. , 2001, Biopolymers.