Open AccessGeneral solution to the inverse problem of the differential equation of the ultracentrifuge.
Author(s) -
G P Todd,
Rudy H. Haschemeyer
Publication year - 1981
Publication title -
proceedings of the national academy of sciences of the united states of america
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.011
H-Index - 771
eISSN - 1091-6490
pISSN - 0027-8424
DOI - 10.1073/pnas.78.11.6739
Subject(s) - ultracentrifuge , analytical ultracentrifugation , inverse , inverse problem , differential equation , experimental data , mathematics , least squares function approximation , chemistry , nonlinear system , mathematical analysis , chromatography , statistics , physics , geometry , quantum mechanics , estimator
Whenever experimental data can be simulated according to a model of the physical process, values of physical parameters in the model can be determined from experimental data by use of a nonlinear least-squares algorithm. We have used this principle to obtain a general procedure for evaluating molecular parameters of solutes redistributing in the ultracentrifuge that uses time-dependent concentration, concentration-difference, or concentration-gradient data. The method gives the parameter values that minimize the sum of the squared differences between experimental data and simulated data calculated from numerical solutions to the differential equation of the ultracentrifuge.