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제112회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Coarse-grained molecular dynamics simulation for reversible assembly-disassembly behavior of photo-responsible polymeric micelle

등록일
2013년 8월 29일 16시 50분 53초
접수번호
1179
발표코드
POLY.O-6 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
금 11시 : 10분
발표형식
구두발표
발표분야
고분자화학 - New Horizons of Polymer Chemistry
저자 및
공동저자
민사훈, 김병수*
울산과학기술대학교(UNIST) 친환경에너지공학부, Korea
Light-induced isomerization between spiropyran and merocyanine has received considerable attention due to their difference in polarity as well as color. This photo-isomerization can provide the strategy for fabricating photo-responsible polymeric materials by introducing the spiropyran moiety into polymers. In particular, there are several reports on photo-responsive polymeric micelle decorated with spiropyran. Although many spiropyran-based polymeric materials have been synthesized, it is still challenging to simulate and visualize the self-assembly of photo-responsive micelle in an aqueous phase, which is hard to observe details on a molecular level experimentally. Thus we propose a coarse-grained model for spiropyran-based polymeric micelle by standard mapping of MARTINI force-field to understand the reversible assembly-disassembly behavior of the micelle with coarse-grained molecular dynamics simulation.

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