Electrostatic calculations and quantitative protein retention models for ion exchange chromatography

Journal of Chromatography. a
Gunnar MalmquistEnrique Carredano

Abstract

A novel set of protein descriptors has been developed to increase the understanding of protein behavior on chromatographic media. The protein descriptors are pH-dependent and based on electrostatic and hydrophobic properties of mainly the surface of the proteins as revealed by their three-dimensional structure. Interpretable and predictive quantitative structure property relationship (QSPR) models were then obtained for protein retention in ion exchange chromatography at different pH values. In most cases the calculated average surface potential could be directly related to retention times. Moreover, the high retention of human lactoferrin observed in cation exchange even at high pH values could be modeled by adding descriptors of the charge asymmetry.

References

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Citations

May 19, 2010·PloS One·Michael WidmannJürgen Pleiss
May 15, 2007·Journal of Chromatography. a·Károly Héberger
Aug 4, 2015·Biophysical Chemistry·Mauro LapelosaIsidro E Zarraga
Jul 23, 2008·Journal of Separation Science·Rosa CabreraMarcelo Fernandez-Lahore
Feb 26, 2011·Biotechnology and Bioengineering·Alex BerrillDaniel G Bracewell
Nov 10, 2012·Biotechnology Journal·Kristian KallbergLeif Bulow
Mar 25, 2015·Journal of Pharmaceutical and Biomedical Analysis·Szabolcs FeketeDavy Guillarme
Jan 27, 2015·Journal of Chromatography. a·Katharina M H LangJürgen Hubbuch
Oct 22, 2016·Biotechnology Progress·Ryan K SwansonCharles E Glatz
Dec 13, 2016·Biotechnology and Bioengineering·Julie R RobinsonSteven M Cramer
Jul 29, 2017·Analytical and Bioanalytical Chemistry·Cecilia RossettiLéon Reubsaet
May 5, 2010·Langmuir : the ACS Journal of Surfaces and Colloids·Zefang WangMarkus B Linder
Nov 6, 2007·Analytical Chemistry·Ting YangSteven M Cramer

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