Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests
Jäger C, Hirsch A, Schade B, Ludwig K, Böttcher C, Clark T (2010)
Publication Type: Journal article, Original article
Publication year: 2010
Journal
Original Authors: Jäger C.M., Hirsch A., Schade B., Ludwig K., Böttcher C., Clark T.
Publisher: American Chemical Society
Book Volume: 26
Pages Range: 10460-10466
Journal Issue: 13
DOI: 10.1021/la9038123
Abstract
A combined study using cryo-TEM experiments and molecular dynamics simulations reveals remarkable details of the factors that affect the self-organization of specifically designed T-shaped amphiphilic dendrimers upon treatment of an aqueous solution with ultrasound under a layer of hexane. This treatment leads to dodecameric, structured micelles rather than the heptameric ones observed without hexane. Three-dimensional reconstruction of the cryo-TEM images provides very detailed structures of the micelles, and molecular dynamics simulations suggest that approximately 36 hexane molecules are needed to stabilize the dodecameric micelles. Sodium counterions are found to exert a significant stabilizing effect that results in an apparent attraction between the highly negatively charged polycarboxylate headgroups. DFT calculations support the observation that the formation of ion multiplets is especially crucial for this stabilizing counterion effect, which reduces headgroup repulsion. This and the increased hydrophobic stabilization that results from the hexane-enlarged core of the micelle lead to stable dodecameric micelles. The specific effects found for sodium counterions are largely absent for potassium. © 2009 American Chemical Society.
Authors with CRIS profile
Christof Jäger
Computer-Chemie-Centrum
Andreas Hirsch
Lehrstuhl für Organische Chemie II
Timothy Clark
Computer-Chemie-Centrum
Additional Organisation(s)
Involved external institutions
Germany (DE)How to cite
APA:
Jäger, C., Hirsch, A., Schade, B., Ludwig, K., Böttcher, C., & Clark, T. (2010). Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests. Langmuir, 26(13), 10460-10466. https://doi.org/10.1021/la9038123
MLA:
Jäger, Christof, et al. "Self-assembly of structurally persistent micelles is controlled by specific-ion effects and hydrophobic guests." Langmuir 26.13 (2010): 10460-10466.
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