An Experimental and Molecular Dynamics Investigation into the Amphiphilic Nature of Sulforhodamine B
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Author(s)
Polat, Baris E.
Lin, Shangchao
Mendenhall, Jonathan David
VanVeller, Brett
Langer, Robert
Blankschtein, Daniel
Date Issued
January 2011
Journal
Journal of Physical Chemistry
Publisher
American Chemical Society (ACS)
Citation
Polat, Baris E. et al. “Experimental and Molecular Dynamics Investigation into the Amphiphilic Nature of Sulforhodamine B.” The Journal of Physical Chemistry B 115.6 (2011): 1394–1402. ©2013 American Chemical Society
Version
Author's final manuscript
Abstract
Sulforhodamine B (SRB), a common fluorescent dye, is often considered to be a purely hydrophilic molecule, having no impact on bulk or interfacial properties of aqueous solutions. This assumption is due to the high water solubility of SRB relative to most fluorescent probes. However, in the present study, we demonstrate that SRB is in fact an amphiphile, with the ability to adsorb at an air/water interface and to incorporate into sodium dodecyl sulfate (SDS) micelles. In fact, SRB reduces the surface tension of water by up to 23 mN/m, and the addition of SRB to an aqueous SDS solution induces a significant decrease in the cmc of SDS. Molecular dynamics simulations were conducted to gain a deeper understanding of these findings. The simulations revealed that SRB has defined polar “head” and nonpolar “tail” regions when adsorbed at the air/water interface as a monomer. In contrast, when incorporated into SDS micelles, only the sulfonate groups were found to be highly hydrated, suggesting that the majority of the SRB molecule penetrates into the micelle. To illustrate the implications of the amphiphilic nature of SRB, an interesting case study involving the effect of SRB on ultrasound-mediated transdermal drug delivery is presented.
MIT Department
Massachusetts Institute of Technology. Department of Chemical Engineering
Massachusetts Institute of Technology. Department of Chemistry
Massachusetts Institute of Technology. Department of Civil and Environmental Engineering
Massachusetts Institute of Technology. Department of Mechanical Engineering
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DOI of Published Version
https://doi.org/10.1021/jp109866q
