Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles

Taiga Seki, Noriyoshi Arai, Taku Ozawa, Tomoko Shimada, Kenji Yasuoka, Atsushi Hotta

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

A coarse-grained model of peptide amphiphiles (PA) dissolved in aqueous solution was presented, where the effects of PA concentration, temperature and shear stress upon the selfassembly of PA were numerically studied by dissipative particle dynamics (DPD) simulation. We technically investigate the repulsion parameter ahw which indicates the repulsion force between the hydrophilic head of PA and water molecules, hence, at the same time, indicating the change in temperature. It was found that ahw played an important role in the self-assembly dynamics and in the resulting micro-structures of PA. By imposing shear strain on the simulation system, the formation of wormlike PA micelles was accelerated. The simulation results were in good agreement with our previous experimental results and the mechanism of shear-induced transition was proposed.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium Proceedings
Pages143-149
Number of pages7
Volume1135
Publication statusPublished - 2008
Event2008 MRS Fall Meeting - Boston, MA, United States
Duration: 2008 Dec 12008 Dec 5

Other

Other2008 MRS Fall Meeting
CountryUnited States
CityBoston, MA
Period08/12/108/12/5

Fingerprint

Amphiphiles
assembling
Peptides
peptides
systems simulation
stress concentration
shear strain
Shear strain
Micelles
Self assembly
shear stress
self assembly
Shear stress
micelles
simulation
shear
aqueous solutions
Temperature
microstructure
Microstructure

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanical Engineering
  • Mechanics of Materials

Cite this

Seki, T., Arai, N., Ozawa, T., Shimada, T., Yasuoka, K., & Hotta, A. (2008). Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles. In Materials Research Society Symposium Proceedings (Vol. 1135, pp. 143-149)

Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles. / Seki, Taiga; Arai, Noriyoshi; Ozawa, Taku; Shimada, Tomoko; Yasuoka, Kenji; Hotta, Atsushi.

Materials Research Society Symposium Proceedings. Vol. 1135 2008. p. 143-149.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Seki, T, Arai, N, Ozawa, T, Shimada, T, Yasuoka, K & Hotta, A 2008, Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles. in Materials Research Society Symposium Proceedings. vol. 1135, pp. 143-149, 2008 MRS Fall Meeting, Boston, MA, United States, 08/12/1.
Seki T, Arai N, Ozawa T, Shimada T, Yasuoka K, Hotta A. Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles. In Materials Research Society Symposium Proceedings. Vol. 1135. 2008. p. 143-149
Seki, Taiga ; Arai, Noriyoshi ; Ozawa, Taku ; Shimada, Tomoko ; Yasuoka, Kenji ; Hotta, Atsushi. / Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles. Materials Research Society Symposium Proceedings. Vol. 1135 2008. pp. 143-149
@inproceedings{f0c1fb92b6dd4e129d982a75fbdf4156,
title = "Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles",
abstract = "A coarse-grained model of peptide amphiphiles (PA) dissolved in aqueous solution was presented, where the effects of PA concentration, temperature and shear stress upon the selfassembly of PA were numerically studied by dissipative particle dynamics (DPD) simulation. We technically investigate the repulsion parameter ahw which indicates the repulsion force between the hydrophilic head of PA and water molecules, hence, at the same time, indicating the change in temperature. It was found that ahw played an important role in the self-assembly dynamics and in the resulting micro-structures of PA. By imposing shear strain on the simulation system, the formation of wormlike PA micelles was accelerated. The simulation results were in good agreement with our previous experimental results and the mechanism of shear-induced transition was proposed.",
author = "Taiga Seki and Noriyoshi Arai and Taku Ozawa and Tomoko Shimada and Kenji Yasuoka and Atsushi Hotta",
year = "2008",
language = "English",
isbn = "9781615677689",
volume = "1135",
pages = "143--149",
booktitle = "Materials Research Society Symposium Proceedings",

}

TY - GEN

T1 - Dissipative particle dynamics studies on the self-assembling dynamics of the peptide amphiphiles

AU - Seki, Taiga

AU - Arai, Noriyoshi

AU - Ozawa, Taku

AU - Shimada, Tomoko

AU - Yasuoka, Kenji

AU - Hotta, Atsushi

PY - 2008

Y1 - 2008

N2 - A coarse-grained model of peptide amphiphiles (PA) dissolved in aqueous solution was presented, where the effects of PA concentration, temperature and shear stress upon the selfassembly of PA were numerically studied by dissipative particle dynamics (DPD) simulation. We technically investigate the repulsion parameter ahw which indicates the repulsion force between the hydrophilic head of PA and water molecules, hence, at the same time, indicating the change in temperature. It was found that ahw played an important role in the self-assembly dynamics and in the resulting micro-structures of PA. By imposing shear strain on the simulation system, the formation of wormlike PA micelles was accelerated. The simulation results were in good agreement with our previous experimental results and the mechanism of shear-induced transition was proposed.

AB - A coarse-grained model of peptide amphiphiles (PA) dissolved in aqueous solution was presented, where the effects of PA concentration, temperature and shear stress upon the selfassembly of PA were numerically studied by dissipative particle dynamics (DPD) simulation. We technically investigate the repulsion parameter ahw which indicates the repulsion force between the hydrophilic head of PA and water molecules, hence, at the same time, indicating the change in temperature. It was found that ahw played an important role in the self-assembly dynamics and in the resulting micro-structures of PA. By imposing shear strain on the simulation system, the formation of wormlike PA micelles was accelerated. The simulation results were in good agreement with our previous experimental results and the mechanism of shear-induced transition was proposed.

UR - http://www.scopus.com/inward/record.url?scp=77950535468&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=77950535468&partnerID=8YFLogxK

M3 - Conference contribution

SN - 9781615677689

VL - 1135

SP - 143

EP - 149

BT - Materials Research Society Symposium Proceedings

ER -