TY  - CONF
AU  - Luft, Konstantin P. K.
AU  - Gekle, Stephan
TI  - Molecular Dynamics Simulations of Curcumin in the Interface Region of Triblock Copolymer Micelles
VL  - 50
CY  - Jülich
PB  - Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag
M1  - FZJ-2020-01432
T2  - Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series
SP  - 289 - 296
PY  - 2020
AB  - In this work we present the results of an orientation analysis of a single tautomeric curcumin molecule in water and polymeric melts of poly(2-oxazoline) and poly(2-oxazine) based triblock copolymers. The results yield stacking of the aromatic phenyl rings for curcumin solvated in water, while showing that the molecule is mostly prolate when solvated in the polymeric melts. The comparison of curcumin in the two different triblock copolymers however showed no significant difference in the two observed reaction coordinates $d$ and $O$.
T2  - NIC Symposium 2020
CY  - 27 Feb 2020 - 28 Feb 2020, Jülich (Germany)
Y2  - 27 Feb 2020 - 28 Feb 2020
M2  - Jülich, Germany
LB  - PUB:(DE-HGF)8 ; PUB:(DE-HGF)7
UR  - https://juser.fz-juelich.de/record/874422
ER  -