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Title: A molecular view of DNA-conjugated nanoparticle association energies

Abstract

Nanoparticles functionalized with short sequences of DNA represent a promising platform for customizable self assembly. Though much recent research has focused on the phase behavior and assembly of these structures, little has been done to precisely characterize the pairwise interaction between particles. Here we present a detailed calculation of the association between DNA-nanoparticle conjugates using 3SPN. 2, a coarse-grained model of DNA that accounts for molecular structure and base-pairing. We compare our results to those obtained experimentally using mm sized particles and analyze the free energy surfaces that characterize interparticle hybridization. Next, we study the importance of three-body effects and their impact on particle association and melting. Lastly, we explore the observation by Park et al. [Nature, 451, 553 (2008)] that DNA-nanoparticle crystallization can be inhibited by the deletion of a single nucleotide. Using our model, we suggest that the role of this nucleotide is to disrupt frustration.

Authors:
; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science - Office of Basic Energy Sciences - Materials Sciences and Engineering Division; University of Chicago - Institute for Molecular Engineering
OSTI Identifier:
1392065
DOE Contract Number:  
AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Soft Matter
Additional Journal Information:
Journal Volume: 11; Journal Issue: 10; Journal ID: ISSN 1744-683X
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

Citation Formats

Lequieu, Joshua P., Hinckley, Daniel M., and de Pablo, Juan J. A molecular view of DNA-conjugated nanoparticle association energies. United States: N. p., 2015. Web. doi:10.1039/c4sm02573c.
Lequieu, Joshua P., Hinckley, Daniel M., & de Pablo, Juan J. A molecular view of DNA-conjugated nanoparticle association energies. United States. doi:10.1039/c4sm02573c.
Lequieu, Joshua P., Hinckley, Daniel M., and de Pablo, Juan J. Thu . "A molecular view of DNA-conjugated nanoparticle association energies". United States. doi:10.1039/c4sm02573c.
@article{osti_1392065,
title = {A molecular view of DNA-conjugated nanoparticle association energies},
author = {Lequieu, Joshua P. and Hinckley, Daniel M. and de Pablo, Juan J.},
abstractNote = {Nanoparticles functionalized with short sequences of DNA represent a promising platform for customizable self assembly. Though much recent research has focused on the phase behavior and assembly of these structures, little has been done to precisely characterize the pairwise interaction between particles. Here we present a detailed calculation of the association between DNA-nanoparticle conjugates using 3SPN. 2, a coarse-grained model of DNA that accounts for molecular structure and base-pairing. We compare our results to those obtained experimentally using mm sized particles and analyze the free energy surfaces that characterize interparticle hybridization. Next, we study the importance of three-body effects and their impact on particle association and melting. Lastly, we explore the observation by Park et al. [Nature, 451, 553 (2008)] that DNA-nanoparticle crystallization can be inhibited by the deletion of a single nucleotide. Using our model, we suggest that the role of this nucleotide is to disrupt frustration.},
doi = {10.1039/c4sm02573c},
journal = {Soft Matter},
issn = {1744-683X},
number = 10,
volume = 11,
place = {United States},
year = {2015},
month = {1}
}

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