Contribution to a conference proceedings/Contribution to a book

FZJ-2020-01432

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Molecular Dynamics Simulations of Curcumin in the Interface Region of Triblock Copolymer Micelles

Luft, K. P. K. (Corresponding author) ; Gekle, S.

2020
Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag Jülich

Please use a persistent id in citations: http://hdl.handle.net/2128/24535

Abstract: 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 $O$.

---

Contributing Institute(s):

1. John von Neumann - Institut für Computing (NIC)

Research Program(s):

1. 899 - ohne Topic (POF3-899) (POF3-899)

Appears in the scientific report 2020

---

Database coverage:
;

---

---

Linked articles:

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Book/Proceedings Müller, M. (Editor)Extern* ; Binder, K. (Editor) ; Trautmann, A. (Editor)FZJ*
NIC Symposium 2020: proceedings
2020NIC Symposium, JülichJülich, Germany, 27 Feb 2020 - 28 Feb 20202020-02-272020-02-28 Jülich : Forschungszentrum Jülich GmbH Zentralbibliothek, Verlag, NIC Series 50, v, 424 S. (2020)2020   Files  Fulltext by OpenAccess repository BibTeX | EndNote: XML, Text | RIS

---