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Computersimulationen Der Selbstassoziation Von Amphiphilen Molekülen Und Nanopartikeln Mit Coarse-Grained-Modellen
Paperback
Series: Sitzungsberichte der Sachsischen Akademie der Wissenschaften
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ISBN13: 9783777624945
Publisher: S. Hirzel Verlag
Published: Dec 4 2014
Pages: 36
Weight: 0.17
Language: German
Amphiphile Moleküle und amphiphile Nanopartikel können in wässrigen Lösungen eine gro e Vielfalt von Assoziaten bilden, die durch Selfassembling auf der Basis des hydrophoben Effektes entstehen. Struktur und Eigenschaften dieser Assoziate und ihrer Überstrukturen sind entscheidend für technische Anwendungen derartiger Substanzen und Nanopartikel.
Computersimulationen können helfen, mögliche Assoziatstrukturen vorherzusagen und Interpretationshilfen für die Auswertung experimenteller Daten zu Strukturuntersuchungen geben.
Coarse-grained-Modelle haben in den letzten zwei Jahrzehnten wesentlich zum besseren Verständnis der Selbstassoziation amphiphiler Moleküle und Nanopartikel beigetragen. Mit Hilfe von Coarse-grained-Modellen mit implizitem Lösungsmittel wird hier am Beispiel von Bolaamphiphilen, Polyphilen und der Solubilisierung von Lipidvesikeln gezeigt, welche Strukturvielfalt an Gleichgewichtsstrukturen und Intermediatstrukturen auftreten kann.
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