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Unbiased particle conformation extraction from scattering spectra using orthonormal basis expansions
期刊文章

Unbiased particle conformation extraction from scattering spectra using orthonormal basis expansions

冠榮 黃, Yangyang Wang, Yuya Shinohara, Lionel Porcar, Changwoo Do, William T. HellerWei-Ren Chen
Journal of Applied Crystallography, 卷.57(1), 頁碼.140-150
01/02/2024

摘要

Small-angle Scattering;Orthonormal Basis Expansion;Particle Density Profiles;Soft-matter Systems;Scattering Length Density Distribution

A strategy is outlined for quantitatively evaluating the particle density profiles from small-angle scattering spectra of dilute solutions. The approach employs an orthonormal basis function expansion method, enabling the determination of characteristic mass distributions in self-assembled structures without the need for a specific structural model. Through computational benchmarking, the efficacy of this approach is validated by effectively reconstructing the density profile of soft-ball systems with varying fuzziness from their scattering signatures. The feasibility of the method is demonstrated by fitting small-angle neutron scattering data obtained from Pluronic L64 micelles at different temperatures. This proposed approach is both simple and analytical, eliminating the requirement for a presumptive structural model in scattering analysis. The new method could therefore facilitate quantitative descriptions of complex nanoscopic structures inherent to numerous soft-matter systems using small-angle scattering techniques.

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