000874422 001__ 874422
000874422 005__ 20210130004654.0
000874422 0247_ $$2Handle$$a2128/24535
000874422 037__ $$aFZJ-2020-01432
000874422 041__ $$aEnglish
000874422 1001_ $$0P:(DE-HGF)0$$aLuft, Konstantin P. K.$$b0$$eCorresponding author
000874422 1112_ $$aNIC Symposium 2020$$cJülich$$d2020-02-27 - 2020-02-28$$wGermany
000874422 245__ $$aMolecular Dynamics Simulations of Curcumin in the Interface Region of Triblock Copolymer Micelles
000874422 260__ $$aJülich$$bForschungszentrum Jülich GmbH Zentralbibliothek, Verlag$$c2020
000874422 29510 $$aNIC Symposium 2020
000874422 300__ $$a289 - 296
000874422 3367_ $$2ORCID$$aCONFERENCE_PAPER
000874422 3367_ $$033$$2EndNote$$aConference Paper
000874422 3367_ $$2BibTeX$$aINPROCEEDINGS
000874422 3367_ $$2DRIVER$$aconferenceObject
000874422 3367_ $$2DataCite$$aOutput Types/Conference Paper
000874422 3367_ $$0PUB:(DE-HGF)8$$2PUB:(DE-HGF)$$aContribution to a conference proceedings$$bcontrib$$mcontrib$$s1583852918_6039
000874422 3367_ $$0PUB:(DE-HGF)7$$2PUB:(DE-HGF)$$aContribution to a book$$mcontb
000874422 4900_ $$aPublication Series of the John von Neumann Institute for Computing (NIC) NIC Series$$v50
000874422 520__ $$aIn 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 $O$.
000874422 536__ $$0G:(DE-HGF)POF3-899$$a899 - ohne Topic (POF3-899)$$cPOF3-899$$fPOF III$$x0
000874422 7001_ $$0P:(DE-HGF)0$$aGekle, Stephan$$b1
000874422 7870_ $$0FZJ-2020-01353$$iIsPartOf
000874422 8564_ $$uhttps://juser.fz-juelich.de/record/874422/files/NIC_2020_Gekle.pdf$$yOpenAccess
000874422 8564_ $$uhttps://juser.fz-juelich.de/record/874422/files/NIC_2020_Gekle.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000874422 909CO $$ooai:juser.fz-juelich.de:874422$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000874422 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aUniversität Bayreuth$$b0
000874422 9101_ $$0I:(DE-HGF)0$$6P:(DE-HGF)0$$aUniversität Bayreuth$$b1
000874422 9131_ $$0G:(DE-HGF)POF3-899$$1G:(DE-HGF)POF3-890$$2G:(DE-HGF)POF3-800$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bProgrammungebundene Forschung$$lohne Programm$$vohne Topic$$x0
000874422 9141_ $$y2020
000874422 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000874422 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
000874422 9201_ $$0I:(DE-Juel1)NIC-20090406$$kNIC$$lJohn von Neumann - Institut für Computing$$x0
000874422 980__ $$acontrib
000874422 980__ $$aVDB
000874422 980__ $$aUNRESTRICTED
000874422 980__ $$acontb
000874422 980__ $$aI:(DE-Juel1)NIC-20090406
000874422 9801_ $$aFullTexts