Molecular dynamics simulation and experimental validation of the effect of pH on protein desorption in hydrophobic charge induction chromatography

References

• Burton , S.C. and Harding , D.R. 1998 . Hydrophobic charge induction chromatography: Salt independent protein adsorption and facile elution with aqueous buffers . J. Chromatogr. A , 814 : 71 – 81 .
   PubMed Web of Science ®Google Scholar
• Schwartz , W. , Judd , D. , Wysocki , M. , Guerrier , L. , Birck-Wilson , E. and Boschetti , E. 2001 . Comparison of hydrophobic charge induction chromatography with affinity chromatography on protein A for harvest and purification of antibodies . J. Chromatogr. A , 908 : 251 – 263 .
   PubMed Web of Science ®Google Scholar
• Dux , M.P. , Barent , R. , Sinha , J. , Gouthro , M. , Swanson , T. , Barthuli , A. , Inan , M. , Ross , J.T. , Smith , L.A. , Smith , T.J. , Webb , R. , Loveless , B. , Henderson , I. and Meagher , M.M. 2006 . Purification and scale-up of a recombinant heavy chain fragment C of botulinum neurotoxin serotype E in Pichia pastoris GS115 . Protein Expres. Purif. , 45 : 359 – 367 .
   Google Scholar
• Weatherly , G.T. , Bouvier , A. , Lydiard , D.D. , Chapline , J. , Henderson , I. , Schrimsher , J.L. and Shepard , S.R. 2002 . Initial purification of recombinant botulinum neurotoxin fragments for pharmaceutical production using hydrophobic charge induction chromatography . J. Chromatogr. A , 952 : 99 – 110 .
   PubMed Web of Science ®Google Scholar
• Guerrier , L. , Girot , P. , Schwartz , W. and Boschetti , E. 2000 . New method for the selective capture of antibodies under physiological conditions . Bioseparation , 9 : 211 – 221 .
   PubMedGoogle Scholar
• Guerrier , L. , Flayeux , I. and Boschetti , E. 2001 . A dual-mode approach to the selective separation of antibodies and their fragments . J. Chromatogr. B , 755 : 37 – 46 .
   Google Scholar
• Boschetti , E. 2002 . Antibody separation by hydrophobic charge induction chromatography . Trends Biotechnol. , 20 : 333 – 337 .
   PubMed Web of Science ®Google Scholar
• Zhao , G.F. and Sun , Y. 2007 . Displacement chromatography of proteins on hydrophobic charge induction adsorbent column . J. Chromatogr. A , 1165 : 109 – 115 .
   PubMed Web of Science ®Google Scholar
• Ghose , S. , Hubbard , B. and Cramer , S.M. 2006 . Evaluation and comparison of alternatives to protein A chromatography – Mimetic and hydrophobic charge induction chromatographic stationary phases . J. Chromatogr. A , 1122 : 144 – 152 .
   PubMed Web of Science ®Google Scholar
• Coulon , D. , Cabanne , C. , Fitton , V. , Noubhani , A.M. , Saint-Christophe , E. and Santarelli , X. 2004 . Penicillin acylase purification with the aid of hydrophobic charge induction chromatography . J. Chromatogr. B , 808 : 111 – 115 .
   Google Scholar
• Zhao , G.F. , Peng , G.Y. , Li , F.Q. , Shi , Q.H. and Sun , Y. 2008 . 5-Aminoindole, a new ligand for hydrophobic charge induction chromatography . J. Chromatogr. A , 1211 : 90 – 98 .
   Google Scholar
• Frenkel , D. and Smit , B. 2002 . Understanding Molecular Simulation: From Algorithms to Applications , 2nd ed. , San Diego, CA : Academic Press .
   Google Scholar
• Zhang , L. and Sun , Y. 2009 . Molecular simulation of adsorption and its implications to protein chromatography: A review . Biochem. Eng. J. , 48 : 408 – 415 .
   Google Scholar
• Bizzarri , A.R. , Costantini , G. and Cannistraro , S. 2003 . MD simulation of a plastocyanin mutant adsorbed onto a gold surface . Biophys. Chem. , 106 : 111 – 123 .
   Google Scholar
• Hower , J.C. , He , Y. and Jiang , S.Y. 2008 . A molecular simulation study of methylated and hydroxyl sugar-based self-assembled monolayers: Surface hydration and resistance to protein adsorption . J. Chem. Phys. , 129 : 215101 – 215107 .
   PubMed Web of Science ®Google Scholar
• Latour , R.A. 2008 . Molecular simulation of protein–surface interactions: Benefits, problems, solutions, and future directions . Biointerphases , 3 : FC2 – FC12 .
   Google Scholar
• Mungikar , A.A. and Forciniti , D. 2002 . Computer simulations and neutron reflectivity of proteins at interfaces . Chemphyschem , 3 : 993 – 999 .
   Google Scholar
• Raffaini , G. and Ganazzoli , F. 2007 . Understanding the performance of biomaterials through molecular modeling: Crossing the bridge between their intrinsic properties and the surface adsorption of proteins . Macromol. Biosci. , 7 : 552 – 566 .
   PubMed Web of Science ®Google Scholar
• Lipkowitz , K.B. 2001 . Atomistic modeling of enantioselection in chromatography . J. Chromatogr. A , 906 : 417 – 442 .
   PubMed Web of Science ®Google Scholar
• Felinger , A. 2008 . Molecular dynamic theories in chromatography . J. Chromatogr. A , 1184 : 20 – 41 .
   PubMed Web of Science ®Google Scholar
• Daggett , V. 2000 . Long timescale simulations . Curr. Opin. Struct. Biol. , 10 : 160 – 164 .
   PubMed Web of Science ®Google Scholar
• Daggett , V. 2006 . Protein folding-simulation . Chem. Rev. , 106 : 1898 – 1916 .
   PubMed Web of Science ®Google Scholar
• Karplus , M. and McCammon , J.A. 2002 . Molecular dynamics simulations of biomolecules . Nat. Struct. Biol. , 9 : 646 – 652 .
   PubMedGoogle Scholar
• Zhang , L. , Zhao , G.F. and Sun , Y. 2009 . Molecular insight into protein conformational transition in hydrophobic charge induction chromatography: A molecular dynamics simulation . J. Phys. Chem. B , 113 : 6873 – 6880 .
   Google Scholar
• Honeycutt , J.D. and Thirumalai , D. 1990 . Metastability of the folded states of globular proteins . Proc. Natl Acad. Sci. USA , 87 : 3526 – 3529 .
   PubMed Web of Science ®Google Scholar
• Veitshans , T. , Klimov , D. and Thirumalai , D. 1997 . Protein folding kinetics: Timescales, pathways and energy landscapes in terms of sequence-dependent properties . Fold. Des. , 2 : 1 – 22 .
   PubMedGoogle Scholar
• Guo , Z.Y. , Thirumalai , D. and Honeycutt , J.D. 1992 . Folding kinetics of proteins – A model study . J. Chem. Phys. , 97 : 525 – 535 .
   Web of Science ®Google Scholar
• Cellmer , T. , Bratko , D. , Prausnitz , J.M. and Blanch , H. 2005 . The competition between protein folding and aggregation: Off-lattice minimalist model studies . Biotechnol. Bioeng. , 89 : 78 – 87 .
   Google Scholar
• Jang , H.B. , Hall , C.K. and Zhou , Y.Q. 2004 . Assembly and kinetic folding pathways of a tetrameric beta-sheet complex: Molecular dynamics simulations on simplified off-lattice protein models . Biophys. J. , 86 : 31 – 49 .
   Google Scholar
• Berendsen , H.J. , Vanderspoel , D. and Vandrunen , R. 1995 . Gromacs – A message-passing parallel molecular-dynamics implementation . Comput. Phys. Commun. , 91 : 43 – 56 .
   Web of Science ®Google Scholar
• Lindahl , E. , Hess , B. and van der Spoel , D. 2001 . GROMACS 3.0: A package for molecular simulation and trajectory analysis . J. Mol. Model. , 7 : 306 – 317 .
   Web of Science ®Google Scholar
• Sayle , R. and Milnerwhite , E. 1995 . RASMOL – Biomolecular graphics for all . Trends Biochem. Sci. , 20 : 374 – 376 .
   PubMed Web of Science ®Google Scholar
• Zhang , L. , Lu , D.N. and Liu , Z. 2009 . Dynamic control of protein conformation transition in chromatographic separation based on hydrophobic interactions: Molecular dynamics simulation . J. Chromatogr. A , 1216 : 2483 – 2490 .
   Google Scholar
• Lu , D.N. and Liu , Z. 2008 . Oscillatory molecular driving force for protein folding at high concentration: A molecular simulation . J. Phys. Chem. B , 112 : 2686 – 2693 .
   Google Scholar
• Batas , D. and Chaudhuri , J.B. 1996 . Protein refolding at high concentration using size-exclusion chromatography . Biotechnol. Bioeng. , 50 : 16 – 23 .
   PubMed Web of Science ®Google Scholar
• Ong , H.N. , Arumugam , B. and Tayyab , S. 2009 . Succinylation-induced conformational destabilization of lysozyme as studied by guanidine hydrochloride denaturation . J. Biochem. , 146 : 895 – 904 .
   PubMed Web of Science ®Google Scholar
• Van Der Veen , M. , Norde , W. and Stuart , M.C. 2005 . Effects of succinylation on the structure and thermostability of lysozyme . J. Agric. Food Chem. , 53 : 5702 – 5707 .
   Google Scholar
• Ghose , S. , Hubbard , B. and Cramer , S.M. 2005 . Protein interactions in hydrophobic charge induction chromatography (HCIC) . Biotechnol. Progr. , 21 : 498 – 508 .
   PubMed Web of Science ®Google Scholar