Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
Comparative Study
. 2009 Feb 10;48(5):1006-15.
doi: 10.1021/bi801952f.

Encapsulation of myoglobin in a cetyl trimethylammonium bromide micelle in vacuo: a simulation study

Yaofeng Wang  1 , Daniel S D Larsson, David van der Spoel
Affiliations
Comparative Study

Encapsulation of myoglobin in a cetyl trimethylammonium bromide micelle in vacuo: a simulation study

Yaofeng Wang et al. Biochemistry. .

Abstract

A recently published paper describes encapsulation of myoglobin into cetyl trimethylammonium bromide (CTAB) micelles by electrospray ionization followed by detection using mass spectrometry [Sharon, M., et al. (2007) J. Am. Chem. Soc. 129, 8740-8746]. Here we present molecular dynamics simulations aimed at elucidating the structural transitions that accompany the encapsulation and dehydration processes. Myoglobin associates with CTAB surfactants in solution, but no complete reverse micelle is formed. Upon removal of most of the water and exposure of the system to vacuum, a stable protein-surfactant reverse micelle forms. The surfactants shield the protein to a large extent from dehydration-related conformational changes, in the same manner that a water shell does, as previously described by Patriksson et al. [(2007) Biochemistry 46, 933-945]. Solvated CTAB micelles undergo a rapid inversion when transported to the gas phase and form very stable reverse micelles, independent of the amount of water present.

PubMed Disclaimer

Similar articles

See all similar articles

Cited by

Publication types

Associated data

LinkOut - more resources