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Shaping Micelles: The Interplay Between Hydrogen Bonds and Dispersive Interactions


  • We would like to thank the Spanish ministry MINECO (CTQ2011-22923 and CTQ2012-39132) and UPV/EHU (UFI 11/23) for financial support. E.J.C. also thanks the MICINN for a “Ramón y Cajal” contract and I.L. thanks the GV for pre- and post-doctoral fellowships. Computational resources and laser facilities from the SGI/IZO-SGIker and i2BASQUE were used for this work. Technical and human support provided by the Laser Facility of the SGIKER (UPV/EHU, MICINN, GV/EJ, ESF) is also gratefully acknowledged.


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A subtle interplay: In the formation of a 1.6 nm micelle containing up to six molecules of propofol, a hydrogen-bond network is shown to influence the structure of the micelle, whereas the nonpolar groups arrange in such a way that the remaining noncovalent interactions are maximized. Such globular structures present a characteristic signature in the IR spectrum that will allow their identification in more complex media.