Predicting protein partition coefficients in aqueous two phase system

Dragana Barros, Sara R R Campos, Ana M. Azevedo, António M. Baptista, Maria Raquel Aires-Barros

Research output: Contribution to journalArticlepeer-review

16 Citations (Scopus)


The present work aims to achieve an additional insight into the protein partitioning behavior in aqueous two phase systems (ATPSs), together with a study on the viability of a semi-empirical model based on continuum electrostatics to predict the protein partition characteristics. The partitioning behaviors of 14 globular proteins, with different properties, were explored in three polymer/polymer ATPSs. By the Collander equation, a linear correlation between protein partitioning coefficients in all systems was observed. Using the semi-empirical model it was possible to predict the partitioning behavior of proteins. The electrostatic energy depends on the protein size and ATPSs characteristics and varies in agreement with the difference in phase dielectric constants. Linear correlation of nonpolar energy, and the solvent accessible surface area was observed. Polymer structure and concentration have a significant influence on model viability. A good qualitative prediction of preferred phase for studied proteins was observed.

Original languageEnglish
Pages (from-to)50-58
Number of pages9
JournalJournal Of Chromatography A
Publication statusPublished - 28 Oct 2016


  • Aqueous two-phase system
  • Collander equation
  • Partition coefficient prediction
  • Protein partitioning
  • Semi-empirical model


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