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Orientation of cholesterol in hybrid bilayer membranes calculated from the phases of methyl resonances in sum frequency generation spectra
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10.1063/1.4807854
/content/aip/journal/jcp/138/22/10.1063/1.4807854
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/22/10.1063/1.4807854

Figures

Image of FIG. 1.
FIG. 1.

(a) The structure of cholesterol, and (b) the sterol numbering and lettering system used in this work.

Image of FIG. 2.
FIG. 2.

Projection plots for various values of showing the combinations of and that resulted in the r and r resonances in the simulated spectra being either a peak (red region) or a dip (black region) for the PPP SFG spectra. The right-hand plots show which combinations of the methyl group tilt angles resulted in the r resonances being in phase (white region) or out of phase, with the r resonance a peak (red regions) or a dip (black regions).

Image of FIG. 3.
FIG. 3.

Simulated PPP SFG spectra when = 75° and = 140° and the fraction of methyl groups with a tilt angle of 140° is varied between 0.1 and 0.5.

Image of FIG. 4.
FIG. 4.

Projection plots generated from the simulated spectra (right-hand plot) or Eq. (3) (left-hand plot) for various values of showing the combinations of and that resulted in the r resonance being either a peak (red region) or a dip (black region) for the PPP SFG spectrum.

Image of FIG. 5.
FIG. 5.

Projection plots showing the combinations of and that result in the r resonance being either a peak (red region) or a dip (black) in the PPP SFG spectrum for x = 0.25 determined from the simulated SFG spectra (left-hand plot) and Eq. (5) (right-hand plot).

Image of FIG. 6.
FIG. 6.

The methyl group tilt angle of cholesterol, , is defined as the angle between the surface normal and the vector joining C3 to C17.

Image of FIG. 7.
FIG. 7.

Plots showing the combinations of and that resulted in the r (left-hand column) and r (middle column) resonances in the simulated spectra being either a peak (red region) or a dip (black region) for the PPP SFG spectra with a series of different values of R between 1.5 and 2.5. The black regions in the plots in the right-hand column show which combinations of and result in the resonances having the same phases as the features in the spectra of d-cholesterol on d-MUA, namely, the r resonance being a peak and the r resonance being a dip.

Tables

Generic image for table
Table I.

Literature values for the tilt angle of the cholesterol ring system in mixed cholesterol/lipid layers.

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/content/aip/journal/jcp/138/22/10.1063/1.4807854
2013-06-10
2014-04-19
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Orientation of cholesterol in hybrid bilayer membranes calculated from the phases of methyl resonances in sum frequency generation spectra
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/22/10.1063/1.4807854
10.1063/1.4807854
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