Salt Responsive Morphologies of ssDNA-Based Triblock Polyelectrolytes in Semi-Dilute Regime: Effect of Volume Fractions and Polyelectrolyte Length

Nan K. Li; Huihui Kuang; William H. Fuss; Stefan Zauscher; Efrosini Kokkoli; Yaroslava G. Yingling

doi:10.1002/marc.201700422

Salt Responsive Morphologies of ssDNA-Based Triblock Polyelectrolytes in Semi-Dilute Regime: Effect of Volume Fractions and Polyelectrolyte Length

Nan K. Li, Huihui Kuang, William H. Fuss, Stefan Zauscher, Efrosini Kokkoli, Yaroslava G. Yingling

Chemical Engineering and Materials Science

Research output: Contribution to journal › Article › peer-review

9 Scopus citations

Abstract

A comprehensive study is reported on the effect of salt concentration, polyelectrolyte block length, and polymer concentration on the morphology and structural properties of nanoaggregates self-assembled from BAB single-strand DNA (ssDNA) triblock polynucleotides in which A represents polyelectrolyte blocks and B represents hydrophobic neutral blocks. A morphological phase diagram above the gelation point is developed as a function of solvent ionic strength and polyelectrolyte block length utilizing an implicit solvent ionic strength method for dissipative particle dynamics simulations. As the solvent ionic strength increases, the self-assembled DNA network structures shrinks considerably, leading to a morphological transition from a micellar network to worm-like or hamburger-shape aggregates. This study provides insight into the network morphology and its changes by calculating the aggregation number, number of hydrophobic cores, and percentage of bridge chains in the network. The simulation results are corroborated through cryogenic transmission electron microscopy on the example of the self-assembly of ssDNA triblocks.

Original language	English (US)
Article number	1700422
Journal	Macromolecular Rapid Communications
Volume	38
Issue number	20
DOIs	https://doi.org/10.1002/marc.201700422
State	Published - Oct 2017

Bibliographical note

Funding Information:
This work was supported by the National Science Foundation (NSF) DMR-1410462, NSF’s Research Triangle Materials Research Science and Engineering Center (MRSEC) (DMR-1121107), and NSF.CMMI-1150682. The computer support was provided by the High Performance Computing Center at North Carolina State University.

Publisher Copyright:
© 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

Keywords

block copolymers
dissipative particle dynamics simulations
polyelectrolytes
responsive morphology
self-assembly
ssDNA

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10.1002/marc.201700422

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abstract = "A comprehensive study is reported on the effect of salt concentration, polyelectrolyte block length, and polymer concentration on the morphology and structural properties of nanoaggregates self-assembled from BAB single-strand DNA (ssDNA) triblock polynucleotides in which A represents polyelectrolyte blocks and B represents hydrophobic neutral blocks. A morphological phase diagram above the gelation point is developed as a function of solvent ionic strength and polyelectrolyte block length utilizing an implicit solvent ionic strength method for dissipative particle dynamics simulations. As the solvent ionic strength increases, the self-assembled DNA network structures shrinks considerably, leading to a morphological transition from a micellar network to worm-like or hamburger-shape aggregates. This study provides insight into the network morphology and its changes by calculating the aggregation number, number of hydrophobic cores, and percentage of bridge chains in the network. The simulation results are corroborated through cryogenic transmission electron microscopy on the example of the self-assembly of ssDNA triblocks.",

keywords = "block copolymers, dissipative particle dynamics simulations, polyelectrolytes, responsive morphology, self-assembly, ssDNA",

author = "Li, {Nan K.} and Huihui Kuang and Fuss, {William H.} and Stefan Zauscher and Efrosini Kokkoli and Yingling, {Yaroslava G.}",

note = "Funding Information: This work was supported by the National Science Foundation (NSF) DMR-1410462, NSF{\textquoteright}s Research Triangle Materials Research Science and Engineering Center (MRSEC) (DMR-1121107), and NSF.CMMI-1150682. The computer support was provided by the High Performance Computing Center at North Carolina State University. Publisher Copyright: {\textcopyright} 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim",

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AU - Li, Nan K.

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AU - Fuss, William H.

AU - Zauscher, Stefan

AU - Kokkoli, Efrosini

AU - Yingling, Yaroslava G.

N1 - Funding Information: This work was supported by the National Science Foundation (NSF) DMR-1410462, NSF’s Research Triangle Materials Research Science and Engineering Center (MRSEC) (DMR-1121107), and NSF.CMMI-1150682. The computer support was provided by the High Performance Computing Center at North Carolina State University. Publisher Copyright: © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

PY - 2017/10

Y1 - 2017/10

N2 - A comprehensive study is reported on the effect of salt concentration, polyelectrolyte block length, and polymer concentration on the morphology and structural properties of nanoaggregates self-assembled from BAB single-strand DNA (ssDNA) triblock polynucleotides in which A represents polyelectrolyte blocks and B represents hydrophobic neutral blocks. A morphological phase diagram above the gelation point is developed as a function of solvent ionic strength and polyelectrolyte block length utilizing an implicit solvent ionic strength method for dissipative particle dynamics simulations. As the solvent ionic strength increases, the self-assembled DNA network structures shrinks considerably, leading to a morphological transition from a micellar network to worm-like or hamburger-shape aggregates. This study provides insight into the network morphology and its changes by calculating the aggregation number, number of hydrophobic cores, and percentage of bridge chains in the network. The simulation results are corroborated through cryogenic transmission electron microscopy on the example of the self-assembly of ssDNA triblocks.

AB - A comprehensive study is reported on the effect of salt concentration, polyelectrolyte block length, and polymer concentration on the morphology and structural properties of nanoaggregates self-assembled from BAB single-strand DNA (ssDNA) triblock polynucleotides in which A represents polyelectrolyte blocks and B represents hydrophobic neutral blocks. A morphological phase diagram above the gelation point is developed as a function of solvent ionic strength and polyelectrolyte block length utilizing an implicit solvent ionic strength method for dissipative particle dynamics simulations. As the solvent ionic strength increases, the self-assembled DNA network structures shrinks considerably, leading to a morphological transition from a micellar network to worm-like or hamburger-shape aggregates. This study provides insight into the network morphology and its changes by calculating the aggregation number, number of hydrophobic cores, and percentage of bridge chains in the network. The simulation results are corroborated through cryogenic transmission electron microscopy on the example of the self-assembly of ssDNA triblocks.

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KW - responsive morphology

KW - self-assembly

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Salt Responsive Morphologies of ssDNA-Based Triblock Polyelectrolytes in Semi-Dilute Regime: Effect of Volume Fractions and Polyelectrolyte Length

Abstract

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