Methodological evaluation reveals model-free structural analysis of nanoparticles using SAXS data, suggesting a reliable direct alternative to pair distance distribution functions.
Key Points
To develop and validate a Shannon sampling framework that determines the structural properties of nano-objects from SAXS data without computing pair distance distribution functions or performing model-dependent fitting.
Implemented a direct reciprocal-space (q-domain) calculation framework based on Shannon sampling theory for small-angle X-ray scattering data.
Tested the method on dilute samples of Polysorbate 20, D-α-tocopheryl polyethylene glycol 1000 succinate core-shell micelles, and proteins of varying molecular weights (lysozyme, apoferritin, and carbonic anhydrase 2) using both laboratory and synchrotron sources.
Directly extracted maximum dimension, molecular mass, volume, asymmetry, hydration fraction, shell thickness, and core-shell electron-density contrast without relying on intermediate real-space transforms.
Yielded consistent structural solutions across varying particle sizes and polydisperse systems using both laboratory and synchrotron X-ray instruments.