Genetic algorithm optimization for obtaining accurate molecular weight distributions from sedimentation velocity experiments

Emre H Brookes, Borries Demeler

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

Sedimentation experiments can provide a large amount of information about the composition of a sample, and the properties of each component contained in the sample. To extract the details of the composition and the component properties, experimental data can be described by a mathematical model, which can then be fitted to the data. If the model is nonlinear in the parameters, the parameter adjustments are typically performed by a nonlinear least squares optimization algorithm. For models with many parameters, the error surface of this optimization often becomes very complex, the parameter solution tends to become trapped in a local minimum and the method may fail to converge. We introduce here a stochastic optimization approach for sedimentation velocity experiments utilizing genetic algorithms which is immune to such convergence traps and allows high-resolution fitting of nonlinear multi-component sedimentation models to yield distributions for sedimentation and diffusion coefficients, molecular weights, and partial concentrations.

Original languageEnglish (US)
Pages (from-to)33-40
Number of pages8
JournalProgress in Colloid and Polymer Science
Volume131
DOIs
StatePublished - 2006

Fingerprint

Molecular weight distribution
Sedimentation
genetic algorithms
molecular weight
Genetic algorithms
optimization
Experiments
Chemical analysis
mathematical models
diffusion coefficient
adjusting
Molecular weight
traps
Mathematical models
high resolution
coefficients

Keywords

  • Analytical ultracentrifugation
  • Genetic algorithms
  • Sedimentation velocity analysis

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Chemistry (miscellaneous)
  • Colloid and Surface Chemistry
  • Polymers and Plastics

Cite this

Genetic algorithm optimization for obtaining accurate molecular weight distributions from sedimentation velocity experiments. / Brookes, Emre H; Demeler, Borries.

In: Progress in Colloid and Polymer Science, Vol. 131, 2006, p. 33-40.

Research output: Contribution to journalArticle

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