TY - JOUR
T1 - Global small-angle scattering data analysis of inverted hexagonal phases
AU - Frewein, Moritz P.K.
AU - Rumetshofer, Michael
AU - Pabst, Georg
PY - 2019/4/1
Y1 - 2019/4/1
N2 - A global analysis model has been developed for randomly oriented, fully hydrated, inverted hexagonal (H II ) phases formed by many amphiphiles in aqueous solution, including membrane lipids. The model is based on a structure factor for hexagonally packed rods and a compositional model for the scattering length density, enabling also the analysis of positionally weakly correlated H II phases. Bayesian probability theory was used for optimization of the adjustable parameters, which allows parameter correlations to be retrieved in much more detail than standard analysis techniques and thereby enables a realistic error analysis. The model was applied to different phosphatidylethanolamines, including previously unreported H II data for diC14:0 and diC16:1 phosphatidylethanolamine. The extracted structural features include intrinsic lipid curvature, hydrocarbon chain length and area per lipid at the position of the neutral plane.
AB - A global analysis model has been developed for randomly oriented, fully hydrated, inverted hexagonal (H II ) phases formed by many amphiphiles in aqueous solution, including membrane lipids. The model is based on a structure factor for hexagonally packed rods and a compositional model for the scattering length density, enabling also the analysis of positionally weakly correlated H II phases. Bayesian probability theory was used for optimization of the adjustable parameters, which allows parameter correlations to be retrieved in much more detail than standard analysis techniques and thereby enables a realistic error analysis. The model was applied to different phosphatidylethanolamines, including previously unreported H II data for diC14:0 and diC16:1 phosphatidylethanolamine. The extracted structural features include intrinsic lipid curvature, hydrocarbon chain length and area per lipid at the position of the neutral plane.
KW - Bayesian analysis
KW - full-q-range analysis
KW - intrinsic curvature
KW - inverted hexagonal phases
KW - phospholipids
UR - http://www.scopus.com/inward/record.url?scp=85063604112&partnerID=8YFLogxK
U2 - 10.1107/S1600576719002760
DO - 10.1107/S1600576719002760
M3 - Article
AN - SCOPUS:85063604112
SN - 0021-8898
VL - 52
SP - 403
EP - 414
JO - Journal of Applied Crystallography
JF - Journal of Applied Crystallography
IS - 2
ER -