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| 001 | 874422 | ||
| 005 | 20210130004654.0 | ||
| 024 | 7 | _ | |a 2128/24535 |2 Handle |
| 037 | _ | _ | |a FZJ-2020-01432 |
| 041 | _ | _ | |a English |
| 100 | 1 | _ | |a Luft, Konstantin P. K. |0 P:(DE-HGF)0 |b 0 |e Corresponding author |
| 111 | 2 | _ | |a NIC Symposium 2020 |c Jülich |d 2020-02-27 - 2020-02-28 |w Germany |
| 245 | _ | _ | |a Molecular Dynamics Simulations of Curcumin in the Interface Region of Triblock Copolymer Micelles |
| 260 | _ | _ | |a Jülich |c 2020 |b Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag |
| 295 | 1 | 0 | |a NIC Symposium 2020 |
| 300 | _ | _ | |a 289 - 296 |
| 336 | 7 | _ | |a CONFERENCE_PAPER |2 ORCID |
| 336 | 7 | _ | |a Conference Paper |0 33 |2 EndNote |
| 336 | 7 | _ | |a INPROCEEDINGS |2 BibTeX |
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| 490 | 0 | _ | |a Publication Series of the John von Neumann Institute for Computing (NIC) NIC Series |v 50 |
| 520 | _ | _ | |a 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 $O$. |
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| 700 | 1 | _ | |a Gekle, Stephan |0 P:(DE-HGF)0 |b 1 |
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