scholarly journals Interpretation of solution scattering data from lipid nanodiscs

2018 ◽  
Vol 51 (1) ◽  
pp. 157-166 ◽  
Author(s):  
Vito Graziano ◽  
Lisa Miller ◽  
Lin Yang

The structural information contained in solution scattering data from empty lipid nanodiscs is examined in the context of a multi-component geometric model. X-ray scattering data were collected on nanodiscs of different compositions at scattering vector magnitudes up to 2.0 Å−1. Through the calculation of the partial form factor for each of the nanodisc components before the isotropic average, structural parameters in the model were correlated to the features observed in the X-ray scattering data and to the corresponding distance distribution function. It is shown that, in general, the features at ∼0.3–0.6 Å−1in the scattering data correlate to the bilayer structure. The data also support the argument that the elliptical shape of nanodiscs found in model fitting is physical, rather than an artefact due to the nanodisc size distribution. The lipid chain packing peak at ∼1.5 Å−1is visible in the data and reflects the lipid bilayer phase transition. The shape change in the distance distribution function across the phase transition suggests that the nanodiscs are more circular in the fluid phase. The implication of these findings for model fitting of empty and protein-loaded nanodiscs is discussed.

1986 ◽  
Vol 132 (6) ◽  
pp. 541-544 ◽  
Author(s):  
Ashley N. North ◽  
John C. Dore ◽  
Andrew Katsikides ◽  
Julie A. McDonald ◽  
Brian H. Robinson

1993 ◽  
Vol 307 ◽  
Author(s):  
M. Holma ◽  
H. Hong ◽  
M. Nelson ◽  
Haydn Chen

ABSTRACTPre-transitional behavior prior to the onset of the cubic-to-tetragonal phase transformation in KnbO3 has been studied with synchrotron x-ray scattering at NSLS, Brookhaven National Lab. Measurements of the Thermal Diffuse Scattering (TDS), Grazing Incidence X-ray Scattering (GIXS), and precursor Bragg scattering have been performed at a series of temperatures on a single crystal sample in the cubic phase (Tc = 405 °C). The TDS was measured in the (001), (011) and (111) cubic planes. The GIXS was measured above, at and below the critical scattering angle of the sample. Based on localized soft mode theory, dynamic tetragonal fluctuations may be expected prior to the onset of the phase transition initiated by defects or surfaces. The GIXS data indicate that the tetragonal phase is apparent prior to the phase transition of the bulk - - consistent with the notion that nucleation originates from potent defect sites during a martensitic-like displacive transformation. The TDS intensity distribution is disk-shaped; arising from a localized, low energy transverse optic mode in the [100] directions extending out to the Brillouin zone boundary (reduced wave vector, q =0.5). Scans made in the (011) planes show TDS intensity extending out to a reduced wave vector of q ˜ 0.2. Preliminary analysis indicates that a low energy transverse optic mode extends in the [011] direction as well. The TDS intensity decreases as the transition temperature is approached from above. Comparison of the TDS results with inelastic neutron scattering data will be made.


ACS Nano ◽  
2017 ◽  
Vol 11 (1) ◽  
pp. 1080-1090 ◽  
Author(s):  
Selma Maric ◽  
Tania Kjellerup Lind ◽  
Jeppe Lyngsø ◽  
Marité Cárdenas ◽  
Jan Skov Pedersen

2021 ◽  
Vol 54 (2) ◽  
pp. 680-685
Author(s):  
Xuke Li

This article presents a Python-based package, ipyChord, to compute the 2D chord distribution function (CDF) from the small-angle X-ray scattering (SAXS) pattern from polymer materials with fiber-symmetrical nanostructure. The program allows construction of a harmonized SAXS pattern from a raw SAXS pattern, by normalization of the incident-beam intensity, absorption correction for sample thickness, masking blind areas on the detector, and filling in the shadow of the beamstop and its holder using symmetry operations. Patterns from modular detectors with inter-module gaps can still be fully constructed satisfactorily after determining the optimized beam position and a radial basis function. A CDF pattern computed from the full SAXS pattern can be used to determine the domain size and its variability using a graphical method. An interface distribution function computed from Bonart's longitudinal projection or sliced from a CDF meridian can quantify differently stacked hard and soft domains. Two cases of the application of ipyChord are presented. The software is open source and available at https://github.com/isaxs/ipyChord.


2015 ◽  
Vol 48 (6) ◽  
pp. 1619-1626 ◽  
Author(s):  
Karena W. Chapman ◽  
Saul H. Lapidus ◽  
Peter J. Chupas

Developments in X-ray scattering instruments have led to unprecedented access toin situand parametric X-ray scattering data. Deriving scientific insights and understanding from these large volumes of data has become a rate-limiting step. While formerly a data-limited technique, pair distribution function (PDF) measurement capacity has expanded to the point that the method is rarely limited by access to quantitative data or material characteristics – analysis and interpretation of the data can be a more severe impediment. This paper shows that multivariate analyses offer a broadly applicable and efficient approach to help analyse series of PDF data from high-throughput andin situexperiments. Specifically, principal component analysis is used to separate features from atom–atom pairs that are correlated – changing concentration and/or distance in concert – allowing evaluation of how they vary with material composition, reaction state or environmental variable. Without requiring prior knowledge of the material structure, this can allow the PDF from constituents of a material to be isolated and its structure more readily identified and modelled; it allows one to evaluate reactions or transitions to quantify variations in species concentration and identify intermediate species; and it allows one to identify the length scale and mechanism relevant to structural transformations.


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