Title: A quantitative model for a nanoscale switch accurately predicts thermal actuation behavior

Journal Article · · Nanoscale
DOI: https://doi.org/10.1039/d1nr02873a · OSTI ID:1852366

Manipulation of temperature can be used to actuate DNA origami nano-hinges containing gold nanoparticles. We develop a physical model of this system that uses partition function analysis of the interaction between the nano-hinge and nanoparticle to predict the probability that the nano-hinge is open at a given temperature. The model agrees well with experimental data and predicts experimental conditions that allow the actuation temperature of the nano-hinge to be tuned over a range of temperatures from 30 °C to 45 °C. Additionally, the model identifies microscopic interactions that are important to the macroscopic behavior of the system, revealing surprising features of the system. This combination of physical insight and predictive potential is likely to inform future designs that integrate nanoparticles into dynamic DNA origami structures or use strand binding interactions to control dynamic DNA origami behavior. Furthermore, our modeling approach could be expanded to consider the incorporation, stability, and actuation of other types of functional elements or actuation mechanisms integrated into nucleic acid devices.

Research Organization:
The Ohio State Univ., Columbus, OH (United States)
Sponsoring Organization:
National Science Foundation (NSF); USDOE; USDOE Office of Science (SC); USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0017270
OSTI ID:
1852366
Journal Information:
Nanoscale, Journal Name: Nanoscale Journal Issue: 32 Vol. 13; ISSN NANOHL; ISSN 2040-3364
Publisher:
Royal Society of ChemistryCopyright Statement
Country of Publication:
United States
Language:
English

References (56)

Thermo-Responsive Actuation of a DNA Origami Flexor journal March 2018
Facile and Scalable Preparation of Pure and Dense DNA Origami Solutions journal October 2014
A semiempirical extension of polyelectrolyte theory to the treatment of oligoelectrolytes: Application to oligonucleotide helix-coil transitions journal January 1978
Generating heat with metal nanoparticles journal February 2007
Quantitative Modeling of Nucleosome Unwrapping from Both Ends journal December 2019
pH-Driven Actuation of DNA Origami via Parallel I-Motif Sequences in Solution and on Surfaces journal June 2017
DNA-Assembled Advanced Plasmonic Architectures journal January 2018
Principles and Applications of Nucleic Acid Strand Displacement Reactions journal February 2019
Reciprocal Control of Hierarchical DNA Origami-Nanoparticle Assemblies journal October 2019
Rapid Computational Analysis of DNA Origami Assemblies at Near-Atomic Resolution journal January 2021
Probing Nucleosome Stability with a DNA Origami Nanocaliper journal July 2016
Characterizing the Motion of Jointed DNA Nanostructures Using a Coarse-Grained Model journal October 2016
Cation-Activated Avidity for Rapid Reconfiguration of DNA Nanodevices journal August 2018
A Temperature-Gated Nanovalve Self-Assembled from DNA to Control Molecular Transport across Membranes journal February 2019
Reconfigurable DNA Origami Nanocapsule for pH-Controlled Encapsulation and Display of Cargo journal April 2019
Robotic DNA Nanostructures journal June 2020
Thermal Stability of DNA Functionalized Gold Nanoparticles journal November 2013
A dumbbell-shaped, double-hairpin structure of DNA: a thermodynamic investigation journal November 1987
Thermodynamic Parameters Based on a Nearest-Neighbor Model for DNA Sequences with a Single-Bulge Loop journal June 2004
Predicting Stability of DNA Duplexes in Solutions Containing Magnesium and Monovalent Cations journal May 2008
Nearest-Neighbor Thermodynamics and NMR of DNA Sequences with Internal A·A, C·C, G·G, and T·T Mismatches † journal March 1999
A Reversible pH-Driven DNA Nanoswitch Array journal February 2006
I-Motif-Programmed Functionalization of DNA Nanocircles journal January 2013
Mapping the Thermal Behavior of DNA Origami Nanostructures journal April 2013
Molecular Threading and Tunable Molecular Recognition on DNA Origami Nanostructures journal August 2013
Modeling DNA-Strand Displacement Reactions in the Presence of Base-Pair Mismatches journal June 2020
Ionic Conductivity, Structural Deformation, and Programmable Anisotropy of DNA Origami in Electric Field journal January 2015
A nanomechanical device based on the B–Z transition of DNA journal January 1999
A DNA-fuelled molecular machine made of DNA journal August 2000
Folding DNA to create nanoscale shapes and patterns journal March 2006
Dynamic DNA nanotechnology using strand-displacement reactions journal January 2011
Quantifying quality in DNA self-assembly journal April 2014
A primer to scaffolded DNA origami journal February 2011
A DNA nanomachine that maps spatial and temporal pH changes inside living cells journal April 2009
Quantifying absolute addressability in DNA origami with molecular resolution journal April 2018
SciPy 1.0: fundamental algorithms for scientific computing in Python journal February 2020
Dynamic DNA nanotechnology: toward functional nanoscale devices journal January 2020
Structural, mechanical, and thermodynamic properties of a coarse-grained DNA model journal February 2011
Sequence-dependent thermodynamics of a coarse-grained DNA model journal October 2012
Introducing improved structural properties and salt dependence into a coarse-grained model of DNA journal June 2015
In situ structure and dynamics of DNA origami determined through molecular dynamics simulations journal November 2013
Programmable motion of DNA origami mechanisms journal January 2015
A unified view of polymer, dumbbell, and oligonucleotide DNA nearest-neighbor thermodynamics journal February 1998
Thermodynamics of internal C.T mismatches in DNA journal June 1998
MrDNA: a multi-resolution model for predicting the structure and dynamics of DNA systems journal March 2020
NNDB: the nearest neighbor parameter database for predicting stability of nucleic acid secondary structure journal October 2009
Quantitative prediction of 3D solution shape and flexibility of nucleic acid nanostructures journal December 2011
On the biophysics and kinetics of toehold-mediated DNA strand displacement journal September 2013
Structure and conformational dynamics of scaffolded DNA origami nanoparticles journal May 2017
Free energy landscape of salt-actuated reconfigurable DNA nanodevices journal December 2019
Nanoscale rotary apparatus formed from tight-fitting 3D DNA components journal February 2016
A Logic-Gated Nanorobot for Targeted Transport of Molecular Payloads journal February 2012
Dynamic DNA devices and assemblies formed by shape-complementary, non-base pairing 3D components journal March 2015
A self-assembled nanoscale robotic arm controlled by electric fields journal January 2018
A Subspace, Interior, and Conjugate Gradient Method for Large-Scale Bound-Constrained Minimization Problems journal January 1999
Review of the Electrical Characterization of Metallic Nanowires on DNA Templates journal October 2018