Interactive graphical system for small-angle scattering analysis of polydisperse systems

2nd Conference on Plasma & Laser Research and Technologies

Konarev, P.V.^1 ; Volkov, V.V.^1 ; Svergun, D.I.^2

Laboratory of Reflectometry and Small-angle Scattering, A.V. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Leninsky pr. 59, Moscow

119333, Russia^1

European Molecular Biology Laboratory, Hamburg Outstation, Notkestrasse 85, Hamburg

22607, Germany^2

关键词: Anti-cancer drug delivery;    Concentration-dependent;    Graphical representations;    Model independent;    Multiple data sets;    Polydisperse systems;    Small angle scattering;    Temperature dependent;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/747/1/012036/pdf
DOI  :  10.1088/1742-6596/747/1/012036

来源: IOP

【 摘 要 】

A program suite for one-dimensional small-angle scattering analysis of polydisperse systems and multiple data sets is presented. The main program, POLYSAS, has a menu-driven graphical user interface calling computational modules from ATSAS package to perform data treatment and analysis. The graphical menu interface allows one to process multiple (time, concentration or temperature-dependent) data sets and interactively change the parameters for the data modelling using sliders. The graphical representation of the data is done via the Winteracter-based program SASPLOT. The package is designed for the analysis of polydisperse systems and mixtures, and permits one to obtain size distributions and evaluate the volume fractions of the components using linear and non-linear fitting algorithms as well as model-independent singular value decomposition. The use of the POLYSAS package is illustrated by the recent examples of its application to study concentration-dependent oligomeric states of proteins and time kinetics of polymer micelles for anticancer drug delivery.