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Updated: Jan 24, 2026

Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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溶液中のポリロタキサンの分子動力学 準弾性中性子散乱と分子動力学シミュレーション:ポリマー上のリングの滑動運動

Yusuke Yasuda1, Yuta Hidaka1, Koichi Mayumi1

  • 1Department of Advanced Materials Science, School of Frontier Sciences , The University of Tokyo , 5-1-5 Kashiwa-noha , Kashiwa , Chiba 277-8561 , Japan.

Journal of the American Chemical Society
|May 16, 2019
PubMed
まとめ

ニュートロン散乱とシミュレーションを用いてポリロタキサン (PR) の動態を研究した. ポリエチレングリコール (PEG) 鎖に沿ったサイクロデクストリン (CD) の滑動運動を定量化し,分子相互作用により遅いことを発見しました.

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